smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1Cl 302791765 GXRIYAYLWLCLBY-UHFFFAOYSA-N 439.902 4.490 10 20 IICD COc1ccccc1NC(=O)C1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 472225702 UNYCVQBBBLTZQQ-UHFFFAOYSA-N 434.540 4.056 10 20 IICD Cc1c(CNC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n(C)c2ccccc12 472280863 BCHGWFMFYOITII-OAQYLSRUSA-N 429.467 4.371 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)SC2=S)cn1 726197481 SQOPZRSRJBYYKM-ZDLGFXPLSA-N 439.518 4.355 10 20 IICD CCCn1ccc2cc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc21 729041738 ZSDSXFVRXWYGFS-HXUWFJFHSA-N 433.556 4.075 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 729280395 SWPCWFMRAMCNFM-MBSDFSHPSA-N 448.519 4.116 10 20 IICD COCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 729327587 ITGWBIGQEYIEGJ-UHFFFAOYSA-N 436.556 4.014 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1F 731408539 PKQLQRQMLQBBFW-UHFFFAOYSA-N 440.544 4.359 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 732910043 KGLZEWUEXRESRN-UHFFFAOYSA-N 438.914 4.044 10 20 IICD COc1ccc([C@@H]2[C@H](COC(=O)c3cc(C)n(-c4ccccn4)c3C)CCC(=O)N2C)cc1 735777867 LAOXTVAHJJGLAA-NBGIEHNGSA-N 447.535 4.264 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 737158065 MUYMRGVJSNUMKB-IBGZPJMESA-N 445.519 4.131 10 20 IICD COCCCOc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742807019 WPBVNUNXGKRFLJ-SFHVURJKSA-N 434.483 4.102 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 743075887 QJLNOEAZGSKIDA-SFHVURJKSA-N 445.585 4.257 10 20 IICD Cc1cccc([C@H]2CCCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 743864240 XMUGDEKLTGSOTH-XMMPIXPASA-N 439.575 4.123 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 748486282 OPCMJXHBBJIETB-UHFFFAOYSA-N 441.281 4.202 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 751086570 ZFABOFHKEKIXIU-MZNJEOGPSA-N 425.548 4.157 10 20 IICD Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/C3=S=C(c4ccncc4)N=C3)s2)cc1 753144362 ZQVQZFIXRXFMBE-YBEGLDIGSA-N 439.953 4.242 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N(Cc1ccccc1)Cc1ccco1 756337818 XLZFHCDETCKTQJ-HSZRJFAPSA-N 434.536 4.195 10 20 IICD C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1O 756570298 AJNRXMGVBDAQAH-INIZCTEOSA-N 425.504 4.137 10 20 IICD C[C@H](N[C@H](CO)Cc1ccccc1)c1cc(Br)cc(Br)c1O 756586832 VFUPJHFBVMOSSX-FZMZJTMJSA-N 429.152 4.171 10 20 IICD C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 756795658 WKSILERZBCMCKV-NSHDSACASA-N 434.370 4.221 10 20 IICD C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(Br)cc1O 756805200 QVTFOMMHCFEKEF-AWEZNQCLSA-N 432.362 4.025 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1 759131156 CYFQWMLPMMSABF-UHFFFAOYSA-N 443.547 4.078 10 20 IICD C[C@@H](Cc1ccccc1Br)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 760195478 SYIQUWSQBAZIQI-LPHOPBHVSA-N 447.373 4.477 10 20 IICD Cc1ccc(Cc2nnc(NC(=O)NCc3cccc(Br)c3O)s2)cc1 765281935 HAVRVEUXRANDAR-UHFFFAOYSA-N 433.331 4.227 10 20 IICD CC(C)(C)C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 775133145 WFQSUBPGIUAPTP-QFIPXVFZSA-N 427.564 4.046 10 20 IICD Cn1nc(C(F)(F)F)c(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl 782153610 AYZGZNUDILFYPE-LLVKDONJSA-N 438.828 4.452 10 20 IICD COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783484129 AAHSNVWOMUHOCP-QGZVFWFLSA-N 431.492 4.097 10 20 IICD Cc1cccc(Cn2nccc2NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784061893 GOMGBSWPSRDWGW-UHFFFAOYSA-N 431.540 4.126 10 20 IICD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 788937902 OJGRYMHLILSFJD-UHFFFAOYSA-N 437.565 4.095 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3ccc(C)cc3)c3ccccn3)CC2)cc1 792292641 CIYNMMIIXIYMKJ-RUZDIDTESA-N 430.552 4.410 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(N(C)C)cc3C(F)(F)F)SC2=S)CC1 794859201 MCUSVRXJOKNPIZ-YBEGLDIGSA-N 429.533 4.067 10 20 IICD NC(=O)c1ccccc1CCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 795812654 DMXCMTBZPFSUNB-UHFFFAOYSA-N 430.464 4.315 10 20 IICD Cc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1F 799186568 ABFBGGRMRAUWKL-UHFFFAOYSA-N 449.504 4.391 10 20 IICD O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 800048248 ZWJWRPKTFTXKMP-UHFFFAOYSA-N 443.834 4.131 10 20 IICD CCc1nc2cc(CNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc2n1C1CC1 801746766 CWSPJOJQZUKCLX-GOSISDBHSA-N 447.583 4.331 10 20 IICD COc1cc(OC)cc(C2(F)CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)c1 802060261 HNDMOCAHCWHNIG-UHFFFAOYSA-N 433.499 4.079 10 20 IICD COc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)cc1F 802339447 KVJPTLCOMNLFFA-HXUWFJFHSA-N 442.535 4.014 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)ccc21 802553234 FECAKOBFFBIFAM-UHFFFAOYSA-N 440.956 4.101 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1-c1ccccc1 806833379 IOQBUTHVPJRDSZ-UHFFFAOYSA-N 434.521 4.108 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)cc1OC1CCCC1 807511327 KWHWMKFAVMWCPK-UHFFFAOYSA-N 441.286 4.414 10 20 IICD Cc1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1S(=O)(=O)NC1CC1 809683934 LGCJXMGIHCVTJS-UHFFFAOYSA-N 438.549 4.332 10 20 IICD CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 812477458 OTJMGIAYLKPQKD-HSZRJFAPSA-N 430.976 4.269 10 20 IICD Cc1sc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C(=O)OC(C)C)c1-c1ccccc1 913193589 SQZAFPUPRMZRHW-HNNXBMFYSA-N 435.567 4.052 10 20 IICD Cc1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)c(C)n1-c1ccccc1Br 917958799 XJIFCJQECIUNSI-AWEZNQCLSA-N 438.329 4.390 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccc(Cl)cc2)on1 919968668 NMFJVBLRYFBDQT-UHFFFAOYSA-N 425.916 4.134 10 20 IICD C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(N2CCOCC2)cc1 1318803090 CMHFHTZQVYEZLP-XMSQKQJNSA-N 445.604 4.174 10 20 IICD COCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCC2)cc1 1787733749 CFOWMTUHDAVYFU-UHFFFAOYSA-N 431.536 4.488 10 20 IICD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830223266 HJUPBVAIQMCRGF-ZPBXOSQXSA-N 434.964 4.031 10 20 IICD Cc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 108407269 RJTDCMREEQXJFJ-UHFFFAOYSA-N 426.929 4.318 10 20 IICD CCN(CC)c1nc2sc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2s1 115717676 KDZUPDREWUOLNP-UHFFFAOYSA-N 448.589 4.110 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1Br 327821653 ZHXXQGQOUHCIOT-UHFFFAOYSA-N 427.701 4.008 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 437010151 NZNOFOOXDLFSFJ-UHFFFAOYSA-N 446.532 4.474 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)CC2)cc1 726562934 QRSIWXHCTYUYCJ-UHFFFAOYSA-N 428.960 4.182 10 20 IICD CCOC(=O)N(C)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726697177 JHPUPLFUNSIVRR-UHFFFAOYSA-N 426.517 4.078 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=S)NCC(C)(C)CN(C)C)cc1 727068761 JMKTUNHOQKTLFK-UHFFFAOYSA-N 428.646 4.230 10 20 IICD CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)NC2=S)cc1 727435214 QVBAXLJWQQJXTN-XSFVSMFZSA-N 425.529 4.048 10 20 IICD O=C(CCc1cccc(OC2CCCC2)c1)NCc1ccc(N2CCC(CO)CC2)cc1 727852496 XIQRJGBEGTUTRI-UHFFFAOYSA-N 436.596 4.466 10 20 IICD C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 728513655 DEPYUFHLTZVJRC-HXUWFJFHSA-N 445.563 4.340 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1F 731364274 WDFNGKWBAYSARU-UHFFFAOYSA-N 444.526 4.371 10 20 IICD C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(NC(=O)c2ccncc2)cc1 733849088 UAKFRUUTDDDFIZ-GOSISDBHSA-N 443.551 4.277 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 734315918 FLXAVIZPMJRYLC-ILBGXUMGSA-N 437.584 4.110 10 20 IICD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)C1 741099577 GEGDNWHLPKQKAP-NLFFAJNJSA-N 447.579 4.413 10 20 IICD O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=Cc2ccccc2CC1 742334863 UYKSURWJTUWKNK-GOSISDBHSA-N 434.508 4.164 10 20 IICD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 742554354 PWHTXEPPCQTZED-UHFFFAOYSA-N 429.561 4.294 10 20 IICD C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 742754962 SQEMGRIPNIXMFO-KKSFZXQISA-N 429.536 4.377 10 20 IICD O=C(Cc1csc(-c2ccoc2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799180 IBAUYQIBFZWKFX-HNNXBMFYSA-N 433.480 4.332 10 20 IICD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCC)Cc2ccccc2O)cc1 743074395 DZNRWLKHIQVIEU-UHFFFAOYSA-N 433.574 4.257 10 20 IICD CS(=O)(=O)c1cccc([C@@H](NC(=O)NCc2ccccc2O)c2ccc(Cl)cc2)c1 745789141 DXJKAOVUDHAVEZ-NRFANRHFSA-N 444.940 4.038 10 20 IICD CCCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccc(C)o1 746166467 XYZTUQXPQGVNIP-LJQANCHMSA-N 431.552 4.043 10 20 IICD Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 747147933 IJIYIVFEMOZYBL-KGENOOAVSA-N 448.523 4.289 10 20 IICD C[C@H](NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 747860409 BGTJPCUIUFCCSE-QUURXOELSA-N 437.584 4.394 10 20 IICD COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)s1 749008047 RYONERFKXWOHSD-UHFFFAOYSA-N 444.943 4.121 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C)nn4)cc3)CC2)cc1F 753890128 DCKPRPAPQKAPRL-UHFFFAOYSA-N 437.475 4.079 10 20 IICD COc1ccc([C@H](O)CN[C@H](C)c2cc(Br)cc(Br)c2O)cc1 756381055 JEWTWIFPZCAKND-QLJPJBMISA-N 445.151 4.310 10 20 IICD C[C@@H](N[C@H](CO)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756714518 ZHQPQPVFGFSSBG-RFAUZJTJSA-N 433.115 4.441 10 20 IICD C[C@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)c(F)cc1O 756735451 CVZVXDCPOGFYHQ-IFXJQAMLSA-N 435.337 4.178 10 20 IICD C[C@H](NC(=O)c1cc(Br)c(F)cc1F)c1ccc(N2CCOCC2)cc1 757877800 QMVOPLKCWPMNAM-LBPRGKRZSA-N 425.273 4.055 10 20 IICD Cc1ccc(-n2nnc([C@H](C)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2C)cc1 765118584 MKLHBQSTZJKYQI-QRVBRYPASA-N 437.563 4.488 10 20 IICD CCS[C@H](C)c1noc(CN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)n1 765455483 YDTLSVNWGKYNIF-CQSZACIVSA-N 427.526 4.158 10 20 IICD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(Br)c1O 765729036 XXSKUMIRDDPWNJ-UHFFFAOYSA-N 431.695 4.125 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(c1ccccc1)c1ccccc1 765980379 ZINRYZQLBKHIRI-OAQYLSRUSA-N 434.605 4.232 10 20 IICD C[C@@H](NCCc1cn2c(n1)SCC2)c1cc(Br)cc(Br)c1O 768285114 DQEVBZZLMQQFNB-SECBINFHSA-N 447.196 4.113 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 771186226 VKEPMPHWMKDWRY-UHFFFAOYSA-N 438.406 4.080 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc2)CC1 774923854 NCZOINLPDQSUFZ-KRWDZBQOSA-N 447.501 4.435 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)c1 775370759 QNTKMGZLUHTAOJ-GYCJOSAFSA-N 444.959 4.202 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2O)cc1OC 775487159 IOJCQIUJSVGEES-MRXNPFEDSA-N 441.355 4.463 10 20 IICD CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 781116573 AWRGMHWEQVRGPQ-UHFFFAOYSA-N 448.542 4.150 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)CC1 786657573 ZZEJEUBWVIRBKH-UHFFFAOYSA-N 437.559 4.013 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 787872443 BNEOJLMWEONYOU-HSZRJFAPSA-N 437.584 4.302 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@H](N2CCCS2(=O)=O)C1 788544870 PHCUUJZDKXDVST-FQEVSTJZSA-N 427.530 4.134 10 20 IICD COC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCC(c2ccccc2)CC1 795782191 UXPFLIYPJZQGIT-UHFFFAOYSA-N 443.525 4.013 10 20 IICD Cc1ccc(-c2cccnc2)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 797653811 JEFMPOXTVKYEQV-QFIPXVFZSA-N 443.551 4.080 10 20 IICD CCn1cc(-c2n[nH]cc2C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1 800571883 PECPBPIXGUNQGJ-OAHLLOKOSA-N 426.952 4.113 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 801550681 BEALVINBIBRORM-FGZHOGPDSA-N 447.535 4.113 10 20 IICD O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807505714 NGGSMVJSQWVUBQ-NQIIRXRSSA-N 436.483 4.106 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 812970730 TZHQVZXGTXEFQZ-UHFFFAOYSA-N 445.567 4.387 10 20 IICD C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 857439455 NKVDSVJQXWVJKH-HNNXBMFYSA-N 440.437 4.056 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2n[nH]cc2c1 914575383 AEYWYKVQEXCOOD-MHWRWJLKSA-N 428.564 4.245 10 20 IICD CCN(CC)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C\c3ccc(N(C)C)cc3)nc2c1 916156051 BCUSYRQTGJMASC-QGOAFFKASA-N 432.977 4.396 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H](c1ccccc1)C1CC1 916231319 PIMPUHXXQDOGAO-OAQYLSRUSA-N 433.474 4.493 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1 918028353 TZIGRLRDUCUJBQ-UHFFFAOYSA-N 436.556 4.066 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 918303932 MZMOYVPAUGHDFY-UHFFFAOYSA-N 449.526 4.458 10 20 IICD O=C(Nc1ccn(C2CCCCC2)n1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1320942061 ADDGHZGWXZTAMM-UHFFFAOYSA-N 446.554 4.209 10 20 IICD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)ccn1 1798775626 CFJPHKCSVWSIIB-RHHYMUMYSA-N 442.563 4.363 10 20 IICD C[C@H](c1ccccc1)n1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O 23645863 HTLHMHSPUVJCCW-OAHLLOKOSA-N 432.501 4.392 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCCCNC(N)=O)n3)c2C)cc1 29271549 LLQGXZGAARILBK-UHFFFAOYSA-N 425.558 4.303 10 20 IICD Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)n1-c1ccc(F)cc1 39549589 QZARPHLIPGHHRF-NRFANRHFSA-N 427.545 4.098 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1 261402539 HUUNKDYOSXBMQW-HSZRJFAPSA-N 445.567 4.032 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)n(C)c2ccccc12 554644366 IEGJSOUUCGMIHQ-GOSISDBHSA-N 426.520 4.042 10 20 IICD Cn1ccnc1[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1 726085897 FWCSCEACIXXYSL-JOCHJYFZSA-N 434.471 4.359 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(I)cc2Cl)cc1F 727994362 OPUONFLGHDNWLB-UHFFFAOYSA-N 432.664 4.080 10 20 IICD CC1CCN(c2ccc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cc2)CC1 731029358 YRDOXMPLODTMEJ-UHFFFAOYSA-N 433.512 4.408 10 20 IICD CN(Cc1ccccc1F)C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731035139 SNZBQVMJRWZHEB-UHFFFAOYSA-N 441.547 4.262 10 20 IICD CN(Cc1cccs1)C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731107530 VPQIMCLLPFQCJI-UHFFFAOYSA-N 429.586 4.184 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 731919809 ACICDHCZLLAJQN-UHFFFAOYSA-N 439.484 4.218 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1OC 732204118 DHCXUSIWKKFBMQ-GOSISDBHSA-N 426.557 4.340 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 733342276 IVTWSOWNHCXQFH-GASCZTMLSA-N 437.918 4.274 10 20 IICD CC(C)C[C@H]1COCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 733772903 ZEIMQWLQEFLDTE-ZKMNFCBKSA-N 438.640 4.003 10 20 IICD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3C)c2)cc1 734468099 LHWNBMJECUKDPG-UHFFFAOYSA-N 437.565 4.100 10 20 IICD Cc1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c(C)n1-c1ccccn1 734469676 PFFMUQDSBIZKRO-WJOKGBTCSA-N 437.565 4.169 10 20 IICD O=C(c1ccc2c(c1)nc(O)n2C1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 735519321 QCOAULCTJPNADM-HXUWFJFHSA-N 435.524 4.384 10 20 IICD CCNC(=O)N1CCc2ccc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)cc21 742184542 WQLQJKJMOCXOCM-UHFFFAOYSA-N 432.524 4.447 10 20 IICD Cc1[nH]c(-c2ccncc2)nc(=N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 742423920 ZXUZNBQAUGOUSN-SFHVURJKSA-N 425.483 4.260 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 748179500 CAUVCCRAHNRYTR-UHFFFAOYSA-N 435.425 4.201 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2O)c(OC)c1 748354168 GGYZSJFGUGZRRW-UHFFFAOYSA-N 429.476 4.192 10 20 IICD COc1ccc(S[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 750875304 SPZBOFHYHPDEHE-GCJKJVERSA-N 428.598 4.450 10 20 IICD C[C@@H](CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1 751060713 OKZPREZJYWADGH-HNNXBMFYSA-N 430.551 4.130 10 20 IICD COc1ccccc1NC(=O)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C 751937622 SKQJVLMCJTWRHG-NRFANRHFSA-N 439.537 4.145 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)cc1F 753885466 NQSOSWJVQKKBHU-UHFFFAOYSA-N 433.483 4.419 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)cc1 755058043 DMGRNEHTDVHKQO-RPBOFIJWSA-N 443.680 4.011 10 20 IICD COC(=O)CCSc1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 756483022 ZBPUKYFZLFGKDY-UHFFFAOYSA-N 443.569 4.095 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)cc(OC)c1OC 759253627 IFXOZKFEAWBCDZ-QHCPKHFHSA-N 439.556 4.085 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)c2C)cc1 763272915 SOOQNKKCBIFWDA-UHFFFAOYSA-N 444.285 4.118 10 20 IICD O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 764293005 VIWBRFFEBHYQNL-UHFFFAOYSA-N 430.390 4.116 10 20 IICD O=C(c1nc(Br)sc1C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 764628147 VYDYETUUKOEHMF-AWEZNQCLSA-N 437.359 4.310 10 20 IICD Cc1cc(Br)ccc1CNC(=O)NCc1cccc(Br)c1O 764782347 XVODYXSJPWQAMA-UHFFFAOYSA-N 428.124 4.225 10 20 IICD COc1ccc(N2CCC(NCCC(=O)Nc3ccc(Br)cc3)CC2)cc1 765574185 GXNRRUCELXJDHT-UHFFFAOYSA-N 432.362 4.045 10 20 IICD C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 768201095 RMPUWLBILDYCSM-SFHVURJKSA-N 440.588 4.151 10 20 IICD COc1cccc(O)c1CN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 769403100 DHEAKNGWRAIWGJ-QGZVFWFLSA-N 444.329 4.474 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1(c2ccccc2)CCCC1 773616672 AAIVCIRYVVHJQI-IFMALSPDSA-N 448.611 4.088 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](C[C@@H]2CCOC2)C1 774236381 XARVZWCBXXNTGL-CEXWTWQISA-N 437.531 4.105 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 775235782 SYFZRRDIIXVDHZ-UHFFFAOYSA-N 437.500 4.093 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 776008454 SFMUPWXPNGLIQK-LJQANCHMSA-N 443.416 4.246 10 20 IICD CCN(C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1)CC(F)(F)F 776133718 JWEPGAXSKCFMQH-FQEVSTJZSA-N 440.554 4.339 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 776196183 MKLKVCNAVDORRO-XMMPIXPASA-N 435.547 4.481 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 779546789 ZZCJGPXYHFRYAA-UZFJHSOTSA-N 448.544 4.186 10 20 IICD COc1cc(O)cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 781023983 GPSOQDSIHHNUAV-LFIBNONCSA-N 434.564 4.082 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Br)cc1F 783220512 FKOFQBUFGXVKFO-ZBFHGGJFSA-N 434.353 4.141 10 20 IICD COc1ccc(-c2nnn(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)n2)cc1OC 783883952 DQISURDKDZIWEU-UHFFFAOYSA-N 443.467 4.411 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)C2CCCCC2)cc1 784058386 SUGXRWBSQQFTHL-UHFFFAOYSA-N 431.540 4.012 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2scc(C)c2I)cc1 786792125 BNEMVLQYKHPGBI-UHFFFAOYSA-N 428.339 4.437 10 20 IICD O=C(Nc1nc2c(s1)CCCCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1 789749299 MWOARHGHWKZOIY-UHFFFAOYSA-N 427.570 4.418 10 20 IICD Brc1cccc(NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 789768234 GIRGONHCMMIQKC-UHFFFAOYSA-N 430.390 4.362 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(N(C)C(C)C)nc3)SC2=S)c1 790107725 JOWZXIINJHTYGY-VCHYOVAHSA-N 429.567 4.349 10 20 IICD CN1CCC(Oc2ccc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 790622106 IRVUJGQIRLFRBU-UHFFFAOYSA-N 438.572 4.348 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(OC)c(C)c(OC)c1 791245995 INAWZUUGDNNCTB-UHFFFAOYSA-N 428.529 4.014 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797714587 KTESLNCNAJNUSB-UHFFFAOYSA-N 432.561 4.270 10 20 IICD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCCSc1nccs1 806279436 OCWYCQIAXZAETF-NSHDSACASA-N 432.398 4.268 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccnc(OC(F)F)c2)cc1 807257461 NZDYKMIDEGZJKW-UHFFFAOYSA-N 430.455 4.254 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](C)c1ccccc1C(F)(F)F 807287704 MHOSCRSZKKHBSE-SJORKVTESA-N 445.485 4.006 10 20 IICD O=S(=O)(CCc1ccccc1Br)Nc1cc(Cl)c(O)c(Cl)c1 812270714 NRKQRLPEJAMVAI-UHFFFAOYSA-N 425.131 4.446 10 20 IICD Cc1cc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c(C)n1-c1ccc(F)cc1 812380586 GWSSFDBOESDEFM-DJJJIMSYSA-N 432.542 4.332 10 20 IICD CSCCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S 814266847 DKTDCNMBFWWMMS-AWNIVKPZSA-N 432.386 4.132 10 20 IICD CN1CCCc2cc(CNC(=O)C3CCN(c4noc5ccc(Cl)cc45)CC3)ccc21 815150908 GKBXDTJCRHNVAA-UHFFFAOYSA-N 438.959 4.396 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc2c(s1)CCC2 914445364 WVUCLDBQIPDNQO-UVTDQMKNSA-N 435.621 4.313 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(C=O)cc1Br 915113918 IUPIFMWSERCZHK-UHFFFAOYSA-N 433.346 4.144 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(NC(=O)C4CC4)cc3)cc2F)C[C@@H](C)O1 916673460 IGZJTUHYIICTIZ-IYBDPMFKSA-N 440.519 4.110 10 20 IICD Cc1nc(O)cc(-c2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)n1 916684377 HPMXVXFVLNTESJ-HXUWFJFHSA-N 434.496 4.076 10 20 IICD Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)cc1C 917608003 VGBCDYZYGXPALQ-UYRXBGFRSA-N 436.537 4.464 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4F)on3)cc2F)C[C@@H](C)O1 918139815 FCZDHRUUOXJHEF-HUUCEWRRSA-N 427.451 4.163 10 20 IICD CC(C)[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Nc1ccccc1 918201838 OLUUZDAHSXMTRA-PWHSHALESA-N 442.579 4.375 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(=O)n(C)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 919198781 CKXOXECXCHTSMD-UHFFFAOYSA-N 433.291 4.139 10 20 IICD CN(c1ccccc1)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 920180989 QJLYQZGMRMTEEL-UHFFFAOYSA-N 432.524 4.489 10 20 IICD CC(C)n1ncc2c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc(C3CC3)nc21 920880526 DLXKUYSPDOPDAA-KRWDZBQOSA-N 433.556 4.217 10 20 IICD CCc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cs2)cc1 1317897024 KANCBWGRGIDBSF-FQEVSTJZSA-N 448.592 4.004 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1)c1cc(O)nc(O)c1 1788427925 GMQWWUKFPLYYBB-UHFFFAOYSA-N 443.459 4.301 10 20 IICD CO/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1789432750 WNWYKZOFCWKYHL-OUKQBFOZSA-N 430.888 4.049 10 20 IICD Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1792745525 VOHSRULJPZMJOQ-QDMKHBRRSA-N 449.334 4.279 10 20 IICD c1ccc(Cn2nnnc2CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 11646201 RQMISQXQQAXAFF-FQEVSTJZSA-N 432.553 4.056 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 18352760 NRNCLSOWQGCGDG-UHFFFAOYSA-N 447.564 4.061 10 20 IICD CSCc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)oc2ccccc12 19009279 PJVIPBDFZROQBG-UHFFFAOYSA-N 426.538 4.177 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 21958446 PAYDKCKVTAAMAL-KRWDZBQOSA-N 449.507 4.245 10 20 IICD CSc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)n1 70040241 SHLGGWIKYVGVQX-OAQYLSRUSA-N 442.629 4.022 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1 108432831 INPLQPNXPNDMTL-UHFFFAOYSA-N 435.549 4.362 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)c1C 726431078 LYDGUPBWFJJIDQ-UHFFFAOYSA-N 431.290 4.461 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1ccc(F)cc1F 727490753 XUSGIJSVNGZTRD-ZDLGFXPLSA-N 436.480 4.346 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(F)ccc1Oc1ccccc1 727943319 DNKQWKYMCAHXJO-UHFFFAOYSA-N 433.483 4.473 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H](NC(=O)NCc3ccccc3)C(C)C)cc2)CC1 731016712 VMXCCCVOUPKYPJ-XMMPIXPASA-N 436.600 4.063 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3cccc(CS(=O)(=O)c4ccccc4)c3)ccc21 732434987 MJHATRKHLXGDNU-UHFFFAOYSA-N 449.576 4.365 10 20 IICD COC(=O)CCCc1nnc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 740465323 QVFMMRBMKDXYNS-UHFFFAOYSA-N 445.589 4.124 10 20 IICD C[C@H](Cc1ccccc1F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754281 OKTRKOWHYIFMCX-VGSWGCGISA-N 443.563 4.453 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(CN2CCCC2)c1 745471881 FFNGKOAFIRRAFK-UHFFFAOYSA-N 446.389 4.482 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 745824081 ZQVZJRDABNSOES-FQEVSTJZSA-N 446.389 4.351 10 20 IICD O=C(N[C@H]1CCCN(c2ccccc2)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745825490 JLRBBVKWJLLFNN-OALUTQOASA-N 444.526 4.225 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC2(CCCC2)c2c(F)cccc21 749179998 YAZAPMXJXUEXJF-UHFFFAOYSA-N 427.495 4.343 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc(Br)c3)cc2F)C[C@@H](C)O1 750726666 WLUOVDYWOKKUGF-GASCZTMLSA-N 435.337 4.061 10 20 IICD CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751059330 ZOTGZGRUUKZUFK-YCRPNKLZSA-N 434.583 4.295 10 20 IICD CCOc1ccc(-c2nc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)cs2)cc1 753746872 RJIVHBABMONMQR-UHFFFAOYSA-N 441.528 4.319 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)c1 755427139 JPWAJOMIUKOFSL-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CN(Cc1ccc(OC(F)F)cc1)C(=O)CN(Cc1ccco1)Cc1ccccc1O 756317082 GZMDMVQFXAELLG-UHFFFAOYSA-N 430.451 4.247 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)c2C)cc1 760557774 BBFWLGGXKUXKPG-UHFFFAOYSA-N 446.956 4.090 10 20 IICD COc1cc(Cl)cc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)c1O 761198584 QVSBHJRMGNWUFX-CYBMUJFWSA-N 425.754 4.433 10 20 IICD CCOc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)c1O 762623595 QGOCPRCFTLQAQG-INIZCTEOSA-N 439.339 4.198 10 20 IICD C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(N(C)C)cc1 765078733 KRHKTXDKYGMXBL-HXUWFJFHSA-N 433.575 4.464 10 20 IICD CCOc1ccc(C2=CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 768712853 CHLMUWDXIJNKSQ-FQEVSTJZSA-N 435.568 4.482 10 20 IICD CN(Cc1cccc(O)c1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769280237 JDKKPPZUSDGDRL-ATVHPVEESA-N 432.592 4.094 10 20 IICD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(N5CCCCC5)cc4)CC3)cc2NC1=O 769313276 MUUSRBCYYLXNDP-LJQANCHMSA-N 447.579 4.491 10 20 IICD Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(Cl)c1Cl 769490519 OXUYOLOQDIDFFR-UHFFFAOYSA-N 448.272 4.482 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)CCCc4ccccc4)n3)CC2)cc1 771054517 BKNRZFLMPFNDII-HXUWFJFHSA-N 448.567 4.096 10 20 IICD O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771067208 SNIQZZVVLUXHML-IBGZPJMESA-N 441.984 4.492 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1F 771981808 VBAYEXQJQPBSMC-FUHWJXTLSA-N 436.572 4.259 10 20 IICD CCc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1CC 775143388 LUBDYSPFMGBGHJ-UHFFFAOYSA-N 445.510 4.137 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 775368625 CFHOAAXSUZKNIV-OLZOCXBDSA-N 442.497 4.110 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775591504 BKJSMNSTFHLILU-KRWDZBQOSA-N 426.586 4.133 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CC3CCC3)c3ccccc3)cc2)C1 779337255 YCTVNUJYAZPSCQ-UPVQGACJSA-N 434.584 4.119 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783486831 RGLVHBNCLZBXRY-LJQANCHMSA-N 439.519 4.496 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 784024771 SCUXGPOLFRNVFW-UHFFFAOYSA-N 427.501 4.117 10 20 IICD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)cc1 785192324 BAAZEBKJLKXYRL-CQSZACIVSA-N 449.345 4.319 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 785295462 VOXAKMSLTUWHHZ-AWEZNQCLSA-N 440.883 4.229 10 20 IICD CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 799363814 PNUSVNZXDKHFHT-FQEVSTJZSA-N 430.593 4.123 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(F)cc3F)cc2Cl)C1 800637137 UGFBWDOMRCDLKT-LBPRGKRZSA-N 439.865 4.249 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)c2C)cc1 801116730 GHFMEAVUSUBQQV-VWLOTQADSA-N 441.572 4.480 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 801639507 UHXRTWMYXCGIKA-QGZVFWFLSA-N 433.574 4.303 10 20 IICD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 801891481 MKTZPKUEKVYMHY-UHFFFAOYSA-N 438.478 4.494 10 20 IICD CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC)n1 802056283 HTKRFTBAPJQABH-GOSISDBHSA-N 449.559 4.489 10 20 IICD CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807209256 GNSMMBDCBJHTFN-HKUYNNGSSA-N 435.012 4.167 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1)c1ccc(N(C)C)cc1 807674147 GXFCYUWYYKBGET-MRXNPFEDSA-N 427.595 4.282 10 20 IICD CNC(=O)c1cc(Oc2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3O)cc2F)ccn1 810255670 RDDIXBDSAONGDC-LBPRGKRZSA-N 426.404 4.160 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 813513703 RKPRHQPEWFZAGX-KKSFZXQISA-N 442.556 4.437 10 20 IICD Cc1cc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)nc(N2CCCC2)n1 813884904 IRLPVAFZTRUYJI-GFCCVEGCSA-N 425.758 4.358 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 816820347 JRTFSGZQDABNGF-KMEWNKIWSA-N 443.547 4.199 10 20 IICD Cc1nc(O)cc(-c2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)n1 916624496 BYCPLAGJSWOTGX-UHFFFAOYSA-N 435.553 4.033 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 918308560 LXMIXMCVEBDYJS-UHFFFAOYSA-N 438.547 4.013 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)NCCc1nc2ccccc2s1 919566555 SASXGQWEIMXODB-UHFFFAOYSA-N 439.562 4.281 10 20 IICD C[C@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 920872026 MXQNJUDXWVRHPU-SFHVURJKSA-N 436.556 4.078 10 20 IICD CNC(=O)Cc1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1321238852 FQVJNLJOQOMNRJ-MRXNPFEDSA-N 428.964 4.187 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cncs2)cc1 1795292184 TVPNVMZPRVXRNQ-NUZGMZIFSA-N 434.565 4.116 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1cc(C(C)(C)C)no1 23328526 KRJDIUBBUHAOND-UHFFFAOYSA-N 442.541 4.358 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@@H]1c1cccc(Br)c1 109567860 SKZJVWLCQGGFHT-UXHICEINSA-N 431.399 4.422 10 20 IICD CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc21 195738984 FTWBFHGKXNYFAF-NRFANRHFSA-N 446.378 4.297 10 20 IICD CCOc1c(Br)cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC 208843718 PDHISHRHINGNSS-RVDMUPIBSA-N 425.348 4.313 10 20 IICD O=C(CN1CCCCCC1)Nc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 237687555 LMYVIYTVSWICPC-UHFFFAOYSA-N 440.563 4.089 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(Cl)nc1 320893639 YUCOVNODMSNWEH-UHFFFAOYSA-N 430.736 4.422 10 20 IICD CC(=O)c1cccc(O[C@@H](C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726567546 QFDOURPAKYUBES-INIZCTEOSA-N 432.467 4.043 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2c(c1)C[C@@H](C)O2 728439394 JHNPMOUHTNEDFB-VBYYMIJXSA-N 427.503 4.123 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 728836904 IPDAVXYASYOVKR-UHFFFAOYSA-N 447.505 4.093 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@H](c2ccco2)C1 732128317 AFCVUDUEPUMPQS-VMOJBDSFSA-N 432.592 4.339 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1[N+](=O)[O-] 732911352 VBFHFKABRVFLMA-UHFFFAOYSA-N 441.494 4.013 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2nccc3ccccc23)NC(=O)OC(C)(C)C)cc1 742752815 HKNDUVQAQXAZFH-NRFANRHFSA-N 434.540 4.297 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N([C@H]2CCc3ccccc3C2)C1=O 743284358 LLFIHTFZZRZRMV-RHLNUJDMSA-N 441.574 4.471 10 20 IICD CC(C)CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F 743338829 JMANKYFZGCGPEL-LJQANCHMSA-N 428.504 4.337 10 20 IICD CCOC(=O)N1[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC[C@@H]1c1ccc(C)o1 743716951 CCRNRJRNCYKYPA-WOJBJXKFSA-N 426.513 4.151 10 20 IICD C[C@H](c1ccncc1)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 743722951 DKBIDMDTOJIHPR-INQVIGDZSA-N 431.608 4.344 10 20 IICD Cc1cccc([C@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 745692261 TVNXEDAOHWUBAA-WIOPSUGQSA-N 448.611 4.442 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCCN(c2ccccc2)C1 745825489 JLRBBVKWJLLFNN-MOPGFXCFSA-N 444.526 4.225 10 20 IICD COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 746346625 GBFFPSXSVPHCHI-HXUWFJFHSA-N 440.471 4.196 10 20 IICD COc1ccc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)cc1NS(C)(=O)=O 749567665 SEMNXTPIGPHLDD-UHFFFAOYSA-N 427.526 4.035 10 20 IICD CCCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1cc(F)c(OC)cc1F 752595132 AMLZUSGQBDCOJB-ZDUSSCGKSA-N 445.466 4.317 10 20 IICD Oc1cc(OCc2ccccc2)ccc1CN1CCn2c(CCc3ccccc3)nnc2C1 753543943 FUZXUHHCJXKSMR-UHFFFAOYSA-N 440.547 4.364 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)cc1 754154384 NMPOHARRSBLBLT-NJHZRGNWSA-N 436.625 4.235 10 20 IICD C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Br)cc(Cl)c1O 756476803 VEBFPBJNZACBCK-GFCCVEGCSA-N 432.767 4.323 10 20 IICD CC(C)COC(=O)N1CCC(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 756898466 VOWFDADWFGUMFF-GOSISDBHSA-N 425.520 4.103 10 20 IICD CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCOCC2)cc1 757445966 PUWDAWBZYCEMDM-UHFFFAOYSA-N 431.536 4.201 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(Br)cc4cccnc34)CC2)cc1 758969407 MJVMDCVTARXMBM-UHFFFAOYSA-N 440.341 4.405 10 20 IICD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCCCSc1nccs1 759033576 FCWGLLCHAZUODV-INIZCTEOSA-N 432.615 4.067 10 20 IICD CC(C)C[C@@H](CCC(=O)N(C)Cc1ccccc1O)C(=O)N(C)Cc1ccccc1O 759224833 UTJBFPCVAOQXBH-LJQANCHMSA-N 426.557 4.157 10 20 IICD C[C@H]1CCCN(Cc2ccccc2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 761001608 DJEKRQOZOVHNCQ-KRWDZBQOSA-N 441.959 4.242 10 20 IICD Cc1sc(Cl)nc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 762872945 MXMBLDAVPMSGIG-HNNXBMFYSA-N 438.981 4.167 10 20 IICD COc1cccc(Cn2ccc3ccc(NC(=O)NCCc4ccc(O)c(O)c4)cc32)c1 763986634 ZQGMFMBJKGIDFB-UHFFFAOYSA-N 431.492 4.474 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1ccc(Cl)cc1 765118555 LPVJRLRSEAXAIL-HNNXBMFYSA-N 429.927 4.056 10 20 IICD O=C(Cc1c[nH]c2cc(Br)ccc12)NCc1cccc(Br)c1O 765735050 CYESMOYQJXLMNP-UHFFFAOYSA-N 438.119 4.257 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(Br)c1O 765746722 IHEFZDFIVWEYQF-UHFFFAOYSA-N 430.302 4.059 10 20 IICD Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1cccc(Br)c1 768377714 KYSZIVUWFVOASM-MOPGFXCFSA-N 435.387 4.203 10 20 IICD Cc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1Br 769261330 QWRJQKUIJYTBEL-UHFFFAOYSA-N 443.297 4.224 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)n3)cc2F)C[C@H](C)O1 775751034 UEKFDBTYJRCWBV-STQMWFEESA-N 426.414 4.175 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 778787434 MNDAPBSHYUZSGP-VWLOTQADSA-N 439.475 4.163 10 20 IICD CCOC(=O)c1cnc(C)c(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1 779089317 XNKUBLRVFMDBOF-UHFFFAOYSA-N 436.306 4.089 10 20 IICD OCC1CCN(c2ccc(CN[C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)cc2)CC1 781421342 PVSFKQNFEUYPTP-RZDMPUFOSA-N 433.640 4.286 10 20 IICD O=C(COC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(O)c(O)c1 782897952 LNGZMQWMRBHOCZ-UHFFFAOYSA-N 444.237 4.087 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)sc2C1 789484634 DOQUAKOFOSSOHA-QGZVFWFLSA-N 440.613 4.149 10 20 IICD Cc1ccccc1-n1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C(C)C 790230383 BYVZGIHHGZUIIN-UHFFFAOYSA-N 432.568 4.413 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)c(O)c1 797390158 PLGUCFKXULEDHR-UHFFFAOYSA-N 436.533 4.424 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c(O)c1 797634070 ZUXCWIAXQRWSOP-UHFFFAOYSA-N 445.928 4.367 10 20 IICD CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 804331742 SHGNNYCRLGLBIK-NRFANRHFSA-N 445.485 4.355 10 20 IICD C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)o1 814275551 ZPCCTIOFACOOKJ-RNHOYJMUSA-N 448.591 4.059 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c1 915851390 VHUGRZDLMMCWOR-ZSOIEALJSA-N 436.308 4.259 10 20 IICD Cc1cc(C)c(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)c1 917381129 WDYQIWISEMVDOM-UHFFFAOYSA-N 436.474 4.162 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)s1 917902405 IZXGEAGWFFLUHA-UHFFFAOYSA-N 430.374 4.447 10 20 IICD CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 917931638 OSHHTBQHQIRYAI-UHFFFAOYSA-N 448.361 4.207 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 918048712 UDLXSZFZKJFMGP-UHFFFAOYSA-N 426.517 4.285 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(Nc4ccccc4)CC3)cc2F)C[C@@H](C)O1 1115947353 BUWUSTQVNZXLHF-KDURUIRLSA-N 440.563 4.225 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)cc1 1325861099 TZKCOMIEWTXXNX-UHFFFAOYSA-N 437.546 4.400 10 20 IICD CCN(CC)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC)cc1 22571940 SHCYWZKNWCPSCT-KNTRCKAVSA-N 443.547 4.471 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1cccc(OC)c1 24874476 FJDKYSOFTWUJRJ-UHFFFAOYSA-N 425.510 4.081 10 20 IICD Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 108289417 KRKTWVOOWDNZDY-HUUCEWRRSA-N 443.544 4.323 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 302817826 YZUKFIGYVNYSOR-UHFFFAOYSA-N 437.565 4.216 10 20 IICD CN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cn1 614699539 GABAWBGSEPTWJL-UHFFFAOYSA-N 434.297 4.368 10 20 IICD O=C(CCN1CCOCC1)Nc1cccc(CNCc2cc(-c3ccccc3)ccc2O)c1 725847288 YOYKFFJAXMSPQM-UHFFFAOYSA-N 445.563 4.010 10 20 IICD O=C(Nc1ccc2c(c1)OCCCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726693807 OCKSWNUKKHZYDL-UHFFFAOYSA-N 433.455 4.240 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CC2)cc1 726698444 TYXMKUNJSCONAK-UHFFFAOYSA-N 436.556 4.030 10 20 IICD COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 726722216 OFRAEQSNEYAWKE-UHFFFAOYSA-N 437.462 4.246 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)ccc21 728639867 WCQXQZHJJPTZCL-IBGZPJMESA-N 434.536 4.035 10 20 IICD COC(=O)CN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)c1cccc(C)n1 741937993 SVXHEDFDLGJPKA-UHFFFAOYSA-N 425.916 4.200 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)c(Br)c2)cc1 742602408 QOFQBZGSHCUQJP-GOSISDBHSA-N 435.337 4.476 10 20 IICD C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743527913 CUYRUNXYMUNPGY-WMZOPIPTSA-N 433.499 4.283 10 20 IICD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1c(O)ccc2c1CCCC2 743718716 QVWXLKSDSIUTFP-UHFFFAOYSA-N 428.536 4.333 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOc1ccc(F)cc1 745787371 YLSXSDMZAXUGMK-UHFFFAOYSA-N 425.298 4.294 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccccc2)C1 745903647 IKEISTXOUOOIKG-NQIIRXRSSA-N 431.483 4.040 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC(c2ccccc2)CC1 748026423 JAQCNUPAHFHFQH-UHFFFAOYSA-N 442.562 4.274 10 20 IICD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2o1 749730729 CHPWTQQZBKKQMC-UHFFFAOYSA-N 432.571 4.110 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)sc2C)cc1 749738640 WEUSHUZBTSLDNR-UHFFFAOYSA-N 446.598 4.420 10 20 IICD Cc1cc(Br)cc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O 752833958 ZXUMZDLFFFSGJH-QGZVFWFLSA-N 436.350 4.467 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C 753213283 YHMSLGOKWCCPJF-UHFFFAOYSA-N 438.297 4.071 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)c4ncccc34)CC2)cc1F 753882284 UHNYPMWCCLXERA-UHFFFAOYSA-N 446.429 4.338 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 753978855 WGVGJAYTAOOPPA-UHFFFAOYSA-N 426.466 4.215 10 20 IICD C[C@@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)cc(Cl)c1O 756359799 CANURCOLVIQQOI-CQSZACIVSA-N 439.781 4.491 10 20 IICD Cc1ncc2c(n1)CC[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)C2 756396538 OLEAVQPNEDVTOI-RNCFNFMXSA-N 441.167 4.224 10 20 IICD CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1 756434644 XKERFAYXBKSYNZ-UZLBHIALSA-N 427.501 4.104 10 20 IICD C[C@@H](N[C@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817716 ZTNFDCMIUKWLQI-OPAMFIHVSA-N 428.939 4.489 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(N4CCOC4=O)cc3)cc2F)C[C@@H](C)O1 765118173 JYEKIBBXNDJULF-FGTMMUONSA-N 427.520 4.247 10 20 IICD Cc1cc(CSc2ncccc2C(=O)NCc2cccc(Br)c2O)no1 765748671 ZRBUHWDASGJJLJ-UHFFFAOYSA-N 434.315 4.068 10 20 IICD COc1ccc([C@H](CCC(C)C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 765980360 ZCMWNAZNEXLIJK-DEOSSOPVSA-N 430.614 4.197 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccn(-c4ccccc4Cl)n3)CC2)cc1 769009304 PKNKLEWPAWFICH-UHFFFAOYSA-N 425.920 4.279 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2ccc3nnc(-c4ccsc4)n3n2)C1 775475866 QOEOVXWLKHFUGN-KRWDZBQOSA-N 440.960 4.288 10 20 IICD Cc1cc(N(C)C)ccc1CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 779066971 ZOBZRKUBKKZTNI-DEOSSOPVSA-N 426.557 4.483 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 779514486 MIXSBFQFJVPFNC-VURMDHGXSA-N 429.879 4.219 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)cc2F)cc1 782423845 MTTKSGUYWSSPQO-UHFFFAOYSA-N 429.879 4.306 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3nc(-c4cc(Cl)cc(Cl)c4)no3)cc2)CC1 786076062 ZGKGIKRIZPCBDM-UHFFFAOYSA-N 446.338 4.324 10 20 IICD COc1ccccc1CC(=O)N1CCC(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 792954272 DQBNOEVPRFMILJ-UHFFFAOYSA-N 449.517 4.103 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 797626372 WDCRFOAACNXEIZ-OAHLLOKOSA-N 441.528 4.144 10 20 IICD O=C(NCc1ccsc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 802329309 FSGCMTQLECNKOX-OAHLLOKOSA-N 425.348 4.107 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1C 802610107 QMJMGZVFPIQJOW-UHFFFAOYSA-N 438.446 4.409 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC2)cc1 802757700 IEQQVDUYUCYFCK-NRFANRHFSA-N 434.588 4.168 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O 806903785 UQYYRWKVPROMFC-UHFFFAOYSA-N 446.718 4.189 10 20 IICD C[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)c1nc(N)nc(N(C)C)n1 814774164 SKGDRXADORWGCJ-DOQDJBIESA-N 442.595 4.199 10 20 IICD C[C@@H]1CN(c2ccc(CNCc3c(Cl)cccc3N3CCOCC3)cc2F)C[C@@H](C)O1 815115352 HHYQWXXMXMPVKU-QZTJIDSGSA-N 447.982 4.219 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC(F)F)c(F)c1 857455349 BGNLRKXSAHSBKN-CYBMUJFWSA-N 430.373 4.427 10 20 IICD Cc1cc(CC(=O)N(C)Cc2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1 913476488 HCNMFSMYSMSTNX-UHFFFAOYSA-N 425.964 4.267 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2nnc(C3CC3)o2)cc1 914885344 MAGVVDSCDCICLX-UHFFFAOYSA-N 434.456 4.224 10 20 IICD O=C(NCCc1c[nH]c2ccccc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 915885223 YGDRCOPGTSALRL-UHFFFAOYSA-N 446.473 4.065 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916695517 QJCMGWIORLAIFP-UHFFFAOYSA-N 440.613 4.480 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3)CC2)cc1 916712368 JPULZFZKACSLAN-IBGZPJMESA-N 436.556 4.064 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(F)cc3Br)cc2F)C[C@H](C)O1 917715195 ZHVGPQSASANEAU-STQMWFEESA-N 439.300 4.271 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1ccc(Br)cc1 1320807648 HZZCBHADZOSKCS-SFHVURJKSA-N 449.389 4.012 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)SC1=S 11291084 YNARHPITIMJGAV-XNTDXEJSSA-N 434.520 4.389 10 20 IICD COc1cccc(Nc2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)s2)c1 19181584 PXDYIXNMLWJMJM-UHFFFAOYSA-N 443.598 4.107 10 20 IICD CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1cccc(Cl)c1 27573855 CWLXXUYLFMFJTP-UHFFFAOYSA-N 444.004 4.435 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(C)n1-c1ccccn1 108478650 SSJIOFCRHHEBDJ-KRWDZBQOSA-N 437.931 4.028 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 116534212 CEIGWRNMBLMZLI-UHFFFAOYSA-N 430.551 4.307 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1F 303356089 OUHMUAOZZOXKBW-UHFFFAOYSA-N 447.967 4.315 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)ccc21 481994468 WBFZCBIEUKVYFA-UHFFFAOYSA-N 433.552 4.395 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)n(C)c2ccccc12 554644626 VNQKIPZWXTVBNY-QHCPKHFHSA-N 446.938 4.057 10 20 IICD C[C@H]1Cc2ccccc2N1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726708137 HXDQGIRVWMBSRU-KRWDZBQOSA-N 444.526 4.007 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccccc3OC(F)F)n2)cc1[N+](=O)[O-] 727247850 PZTJAORKUUZBJZ-UHFFFAOYSA-N 441.437 4.429 10 20 IICD COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 727802651 WXMUTDJPWLWOSO-VQTJNVASSA-N 448.394 4.044 10 20 IICD Cc1nc(COc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 728302607 VNJAESIGDOYXFO-UHFFFAOYSA-N 437.565 4.139 10 20 IICD O=C1/C(=C\c2ccc(OC(F)(F)C(=O)O)cc2)SC(=S)N1c1ccc(F)cc1 730732324 IXSXGTKEYFRGAJ-NTEUORMPSA-N 425.409 4.288 10 20 IICD Cc1cccc2c1CCCN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 733944036 BGKIBBCQCXKHEK-UHFFFAOYSA-N 426.428 4.272 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](c1ccccc1)C1CCOCC1 734540622 JFBWLBGXTYLOBS-HSZRJFAPSA-N 425.598 4.207 10 20 IICD O=C(NCCc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 735384935 HMGRLXXQHITLHD-LJQANCHMSA-N 433.346 4.088 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cnc(Cl)c(C)c2)nc1-c1ccccc1 735407680 MAWHDHANKUDNKB-UHFFFAOYSA-N 437.930 4.144 10 20 IICD CCN(CC)c1ccc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1F 739454988 DSJUJJVLXMKSRQ-GZTJUZNOSA-N 428.460 4.042 10 20 IICD CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1F 740168761 XDUOJLYUBYICIB-PDGQHHTCSA-N 429.542 4.177 10 20 IICD Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnc12 742417079 SVDYQANFZKDTNY-UHFFFAOYSA-N 432.568 4.180 10 20 IICD COc1cc(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(OC)c1 742799646 MCUMPFSOWMROON-QGZVFWFLSA-N 434.483 4.023 10 20 IICD COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 746346616 GBFFPSXSVPHCHI-FQEVSTJZSA-N 440.471 4.196 10 20 IICD C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCOCC2)cc1 747652633 YPQHHTZHSZGOMQ-OAHLLOKOSA-N 438.509 4.046 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)c2C)c1 749367097 OTASBYLOPAGPMW-UHFFFAOYSA-N 440.565 4.387 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)OCc3csc(CS(C)(=O)=O)n3)c2C)c1 750411733 KXCMLOHTDGDAAI-UHFFFAOYSA-N 432.567 4.069 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)N2CCOCC2)cc1 756353078 XJZIOXZGWHJWQZ-IFXJQAMLSA-N 425.356 4.432 10 20 IICD C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCCC2)cc1 757675609 MXVRKXURYYCMEW-GOSISDBHSA-N 431.558 4.100 10 20 IICD O=[N+]([O-])c1cc(CNc2nnc([C@H]3COc4ccccc4O3)o2)ccc1N1CCCCC1 758450598 UXNWQJJKIAVGQG-HXUWFJFHSA-N 437.456 4.093 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2nnc(S)o2)cc1 758818097 ODEAZVNZUSMQAF-UHFFFAOYSA-N 434.315 4.156 10 20 IICD CC[C@H](C)[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759221365 PMMLEHPOFWPXPB-MBSDFSHPSA-N 426.557 4.191 10 20 IICD CN1CC[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 762622254 CSBPUGVHGRUXNO-MBSDFSHPSA-N 435.946 4.237 10 20 IICD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 772999094 LIAWSCAVWYHZMP-FOIQADDNSA-N 434.005 4.135 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 774253491 UUOMXGDTYOEUEY-UHFFFAOYSA-N 440.341 4.232 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 775187827 APJQEFCKYAAWLU-HSZRJFAPSA-N 435.955 4.236 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 776009548 JWRODSXFQQVFKT-MHECFPHRSA-N 425.550 4.093 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 776237635 HSDOBRWXAYYBHE-ROUUACIJSA-N 441.551 4.196 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 776237638 HSDOBRWXAYYBHE-ZWKOTPCHSA-N 441.551 4.196 10 20 IICD COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2cccc3ccccc23)c(C)s1 777694435 KPQOWYIPRJJQEU-UHFFFAOYSA-N 445.547 4.316 10 20 IICD Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)[C@H](C)C2 779028695 YEZNZZDUZWCNAZ-KBMIEXCESA-N 431.559 4.274 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cc(Br)cc(C)c2O)cc1 779052158 NMADOSFXZYVTDO-GJZGRUSLSA-N 426.376 4.285 10 20 IICD COCCn1ccc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc21 784114005 VIBKRXHZQNQKGM-UHFFFAOYSA-N 434.540 4.032 10 20 IICD C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N2CCOCC2)c(F)c1 786953239 JISVTSPXFINPBB-LPHOPBHVSA-N 448.380 4.354 10 20 IICD CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2c(O)ccc(Cl)c2F)CC1 790974913 ZUSCHDUDFLIYIR-UHFFFAOYSA-N 431.861 4.245 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)nc1 792223688 FDYYRGWNIFSWJD-UHFFFAOYSA-N 437.496 4.499 10 20 IICD Cc1cc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)ccc1Br 797734483 NSQQINDYLWGORD-UHFFFAOYSA-N 427.682 4.235 10 20 IICD CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1 799187263 PGMARPJOHCPLTQ-UHFFFAOYSA-N 428.539 4.151 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(N(C)C)cc1 802568031 KUUSQRAIMOSXKG-CYBMUJFWSA-N 428.945 4.345 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OC(F)F)c2ncccc12 804226303 JHBGSXZHUMRLBV-UHFFFAOYSA-N 433.798 4.164 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)ccc1I 807840117 YVJHCEPKFUENHV-UHFFFAOYSA-N 440.039 4.373 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2c(O)ccc3c2CCCC3)c1=O 808867238 IDGGWPGPJXXOEU-UHFFFAOYSA-N 435.499 4.250 10 20 IICD O=C(NCc1cccc(Br)c1O)c1nc2ccccc2cc1Br 809798622 PPIHAOOVWGWWMG-UHFFFAOYSA-N 436.103 4.395 10 20 IICD OC[C@]1(c2ccccc2)CCN(Cc2cc(Br)cc(Br)c2O)C1 812781269 NUPSWXCZIDFSBE-SFHVURJKSA-N 441.163 4.053 10 20 IICD O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N(Cc1ccccc1O)C1CCCCC1 812982440 LFPDTPNXNWGDSE-UHFFFAOYSA-N 427.448 4.168 10 20 IICD C[C@@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1O 815598244 QAXQDHBMWARHAA-OAHLLOKOSA-N 442.503 4.187 10 20 IICD CN(C)c1cc(F)c(CNc2cc(N3CCOCC3)ccc2Br)cc1F 864012914 JJEWWOREGHUHMT-UHFFFAOYSA-N 426.305 4.242 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1 915260390 HKWPKRJHKLKMPM-UHFFFAOYSA-N 425.529 4.312 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 915831417 KHGFMSMRLANEFJ-UHFFFAOYSA-N 429.568 4.203 10 20 IICD COc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916632561 ZAXXQFUOGKKJQG-UHFFFAOYSA-N 427.398 4.011 10 20 IICD CC(C)(C)NC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 916688337 YPBVFSUZNZDXTP-HXUWFJFHSA-N 425.529 4.134 10 20 IICD O=C(Nc1ccc(CCN2CCOCC2)cc1)N(Cc1ccco1)Cc1ccccc1O 918052295 BGOTYJBTOFGSCF-UHFFFAOYSA-N 435.524 4.094 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1OC 918207825 JSWIVWZUKQIXNH-FVJLSDCUSA-N 429.536 4.398 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C[C@H](c2ccccc2)O1 920238805 XXLMJVLSJSCNFG-UAKAABGRSA-N 441.547 4.111 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2c(C(C)C)noc2n1 920843649 CRZHZJVAFMQVRY-HOTGVXAUSA-N 440.519 4.337 10 20 IICD Cn1cc(-c2n[nH]cc2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 1116707724 OPJSOJYZTHFFIU-UHFFFAOYSA-N 426.318 4.045 10 20 IICD Cc1c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cccc1N1C(=O)CNC1=O 1321217878 UUGGCFMYIRTEDC-UHFFFAOYSA-N 436.899 4.364 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cn2cccc2)cc1 1321566084 LWMKDVCQOALAFY-UHFFFAOYSA-N 443.469 4.322 10 20 IICD O=C(CCC1CCC1)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1805796921 UKWKDBGDHIIRQW-UHFFFAOYSA-N 434.964 4.176 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 302766160 RESWBBOLPPQUSF-UHFFFAOYSA-N 433.474 4.084 10 20 IICD COc1cc(NC2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc(OC)c1 472234789 YAYUNXNDZRJZNM-UHFFFAOYSA-N 436.556 4.290 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)ccc21 484614684 NZGWXNXOAQWMEI-UHFFFAOYSA-N 437.559 4.438 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1 726608742 ACZWMUYORKDYCY-UHFFFAOYSA-N 439.537 4.270 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4c(Br)cccc43)CC2)cc1 727946405 YITLSJKCABQMMD-OAQYLSRUSA-N 444.373 4.367 10 20 IICD COc1ccccc1C(C)(C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 728746240 RQEYVQZNIRQILJ-CALCHBBNSA-N 429.536 4.182 10 20 IICD CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(NC(=O)/C=C/c2cncc(F)c2)c1 729653396 RGSCPSHSVOYSNC-FFELTBSMSA-N 434.446 4.473 10 20 IICD C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 733134734 ZEDLPBOLPKUKDG-KRWDZBQOSA-N 439.943 4.346 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3ccc(Br)cn3)SC2=S)cc1 733812955 IJCAIAUBSBJUJK-YBEGLDIGSA-N 435.368 4.297 10 20 IICD COc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1 743410735 OVMGHRIYUBNMDX-OZXSUGGESA-N 444.531 4.197 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(OCCc2ccccc2)c1 743958467 YMGCATKTPASCBB-UHFFFAOYSA-N 444.531 4.147 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(CCc4ccccc4)no3)ccc21 744951259 PGCHYGFGWAZQRE-UHFFFAOYSA-N 433.508 4.430 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)c2C)c1 750765008 JYIUVEYLXVEARQ-UHFFFAOYSA-N 426.538 4.078 10 20 IICD CN(C)c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc2n1 754246017 MGXMQAVKWVKWGT-UHFFFAOYSA-N 440.494 4.301 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756535743 OXOVEQFIIIKNPK-GHMZBOCLSA-N 447.782 4.128 10 20 IICD Cc1cc(CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1-c1ccc(Cl)cc1 760001936 VYKZERTWGGJCOV-OAQYLSRUSA-N 449.982 4.455 10 20 IICD COC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 765288637 YZOMDEOTUIIMKB-HXUWFJFHSA-N 426.454 4.283 10 20 IICD C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1Cl 765322594 MCYDZEBYHGTNSQ-GAJHUEQPSA-N 443.975 4.145 10 20 IICD CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 765608751 KBXVBNSKOUAPHE-FQEVSTJZSA-N 438.591 4.335 10 20 IICD O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 765636661 OAPIGLKNLBAICM-QHHAFSJGSA-N 429.442 4.353 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CC(=O)N(C)Cc3ccccc3Cl)CC2)cc1 765638809 RBWZBDXJQIBJGW-GOSISDBHSA-N 429.992 4.344 10 20 IICD C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1 766163465 LZVGWLAPEQZTCB-JXFKEZNVSA-N 431.939 4.162 10 20 IICD C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c2c(O)cccc21 768665800 UWSCGNNEFHONGR-CYBMUJFWSA-N 444.534 4.114 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1)c1ccc(N(C)C)cc1 773855026 DPENQBPBHMMBFE-LJQANCHMSA-N 436.600 4.333 10 20 IICD CCOC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(Br)cc1F 775380661 XHKAJAWPCQUFNM-ZMZPIMSZSA-N 426.282 4.257 10 20 IICD COc1cc(O)c(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 775642469 KWVCOUYUQODZCP-UHFFFAOYSA-N 432.826 4.152 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c(C)o1 776302548 PEBGXQCIKHQCPH-MRXNPFEDSA-N 435.571 4.418 10 20 IICD CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1Cl 784060626 GXMNGRJGBCMCEC-UHFFFAOYSA-N 428.920 4.185 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n(-c2ccc(F)cc2)n1 784062674 QTQGLFRRXKZXMP-UHFFFAOYSA-N 435.503 4.206 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1F 789257684 HYDOVHVELNQNKM-UHFFFAOYSA-N 425.512 4.093 10 20 IICD O=C(c1cccc(O)c1O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 790780283 QLMUWQXXWLZRGA-UHFFFAOYSA-N 431.261 4.237 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cnc1C 794017835 UNDWWJQFDMSULI-UHFFFAOYSA-N 431.539 4.224 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)c(F)c3F)cc2Cl)C1 800636247 HVLPYVAUBDYNON-GFCCVEGCSA-N 439.865 4.249 10 20 IICD COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1 806169686 JADRJWTYEONTLU-DVECYGJZSA-N 437.584 4.146 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N(Cc1ccccc1)Cc1ccccc1F 806281741 IPLGNNZHRVVODB-UHFFFAOYSA-N 443.569 4.110 10 20 IICD Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)CCC2 807647923 MYCPUFHTJYROSD-IBGZPJMESA-N 427.570 4.012 10 20 IICD Cc1cc(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1ccc(OC(F)(F)F)cc1 812860452 QOTORXHRBULSSO-OAHLLOKOSA-N 446.416 4.125 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 813792772 CGQDXHQZFKNSJR-HOTGVXAUSA-N 433.549 4.083 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(C)c4ncccc34)n2)c1 906451228 BOSCDFHHCNPJNN-UHFFFAOYSA-N 441.534 4.485 10 20 IICD C[C@H](c1ccccc1F)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914481956 YZQZQZUVHQRTKD-CYBMUJFWSA-N 432.407 4.343 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 914491139 GCYMHJWHUDKHHR-UHFFFAOYSA-N 448.519 4.309 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c(C)n1-c1ccc(C(C)C)cc1 915737144 BTPXVLRUWPUWAG-UHFFFAOYSA-N 432.568 4.154 10 20 IICD CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 915930866 AUASOUQTMFSRMA-GBXCKJPGSA-N 440.540 4.251 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)[nH]c(C)c1C(C)=O 917709226 MMNJPARMYREXRF-GASCZTMLSA-N 429.536 4.161 10 20 IICD CCOc1cccc2cc([C@H](C)NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)oc12 918199073 RTUWWOUTYMFPAH-INIZCTEOSA-N 441.503 4.368 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccccc2Cl)on1 919971452 YTOJABVUPUOIOD-UHFFFAOYSA-N 429.879 4.025 10 20 IICD O=C(NCCCCOc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1323351538 BTDZDSYCMBYEAN-SFHVURJKSA-N 433.499 4.415 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 26763687 DWCFNCRHRKSULO-PDGQHHTCSA-N 445.884 4.343 10 20 IICD O=C(CCCc1nc2ccccc2[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726564495 LYMBUQZFZPATBJ-UHFFFAOYSA-N 428.483 4.272 10 20 IICD O=C(Cc1ccc(-n2cccc2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567358 IDFSTAFXVCOFST-UHFFFAOYSA-N 425.479 4.406 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 727392691 WXUONLZJRRHGNO-OAHLLOKOSA-N 445.972 4.147 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccccc3OC)cc2F)CC1 730133873 IUMDIYIHXWVGDQ-QFIPXVFZSA-N 440.563 4.023 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1cccnc1Cl 731035926 AYCRATFTRYLHNA-UHFFFAOYSA-N 430.936 4.151 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 731885338 OQGPFLLVLFDWNR-QGZVFWFLSA-N 427.545 4.208 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)O[C@H]1C=CCCC1 733433510 MZNGCTFGYRFYEV-QTNMRXCUSA-N 438.368 4.302 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cc21 734740884 VNLHWWCVEXEQRH-UHFFFAOYSA-N 439.971 4.235 10 20 IICD CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 741214907 RUSRYAHQSWFKDD-JOCHJYFZSA-N 428.621 4.007 10 20 IICD CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cc1F 741686612 IAXSEXZHOXQYRG-QHCPKHFHSA-N 429.511 4.085 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 742800975 ODBCEGWXODIWQG-OAHLLOKOSA-N 442.466 4.409 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 743046233 QSXGOOFYVVMRSF-UHFFFAOYSA-N 446.941 4.459 10 20 IICD Cc1csc(CCCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 743582981 JEOGCMLNXLDHRV-INIZCTEOSA-N 438.544 4.344 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 743873041 GZWAAASLJBLUKH-RDTXWAMCSA-N 433.346 4.005 10 20 IICD O=C(NCc1coc(-c2ccccc2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745847390 PLYNDXCAXKJFIH-KRWDZBQOSA-N 442.466 4.411 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc2ncccc2c1 747860491 YQVZROWMRMDVEG-UHFFFAOYSA-N 433.518 4.345 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC[C@H](OCCCc4ccccc4)C3)CC2)cc1 752935931 XOPREDQZXJZRGT-VWLOTQADSA-N 437.584 4.097 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C 753210769 IHHRZFOBHRZGEH-CYBMUJFWSA-N 434.334 4.493 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](c3ccc(F)cc3)c3cccnc3)CC2)cc1 753612877 UGOOBTXEVBDUDI-AREMUKBSSA-N 434.559 4.121 10 20 IICD C[C@@H](NCCCN1C(=O)COc2ccccc21)c1cc(Br)cc(Cl)c1O 756733486 PSSNPEKFZNAGHZ-GFCCVEGCSA-N 439.737 4.274 10 20 IICD C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)cc(F)c1O 756804645 VZYZGCNIUCHMSD-SNVBAGLBSA-N 442.716 4.057 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C(F)F 758512291 WUXOWANBEIZHNT-GJZGRUSLSA-N 438.494 4.159 10 20 IICD O=C(NCCCSc1nccs1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 758603224 ODMGNMZSTRBEDX-UHFFFAOYSA-N 447.607 4.421 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(CS(C)(=O)=O)c(F)c3)c2C)cc1 759347206 KSYXEYITEDVCHH-UHFFFAOYSA-N 430.501 4.039 10 20 IICD Cc1cncc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)c1 761578160 XIBZHPIDZOMUQY-DHDCSXOGSA-N 428.564 4.336 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc4cccc(Br)c4n3)cc2)C1 761884111 NECBYAWTKMIXPL-KRWDZBQOSA-N 439.357 4.311 10 20 IICD COc1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1OC 770884181 WFFURJIBVKXDKU-UHFFFAOYSA-N 445.563 4.321 10 20 IICD CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 772954904 UNPDPMCTFPHRDG-UHFFFAOYSA-N 427.442 4.023 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc(N(C)C)cc1 773615359 WIQGKUVCJYBSNK-YWZLYKJASA-N 432.362 4.359 10 20 IICD CCOc1ccc(CN(CC(=O)Nc2nncs2)c2ccc(OC)c(Cl)c2)cc1 779566874 PFGKZGAOTHIHRC-UHFFFAOYSA-N 432.933 4.244 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 782733468 OXGXXNUOUYOEME-OAHLLOKOSA-N 431.505 4.427 10 20 IICD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 788447238 WYIAXGJDJHBPSZ-QUCCMNQESA-N 436.474 4.464 10 20 IICD Cc1c([C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C(C)C)oc2ccccc12 788913793 ZIXJUVWHKUPAMB-HSZRJFAPSA-N 433.552 4.471 10 20 IICD COc1cc(C(F)(F)F)ncc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 792510676 MHRIOKLUZDSJAE-AWEZNQCLSA-N 425.407 4.028 10 20 IICD CCOC(=O)c1nc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c[nH]1 793963528 KPSVGQKZYQYZRB-UHFFFAOYSA-N 431.290 4.009 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 794854945 WWIQYEATAPUQCJ-UHFFFAOYSA-N 429.520 4.048 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CN(Cc2ccccc2)CCC1(F)F 795329486 QLYLXMCPGBZPIS-JOCHJYFZSA-N 445.579 4.013 10 20 IICD Oc1c(Cl)cc(Cl)cc1CNc1cnc(N2CCOCC2)c(Br)c1 798431517 OSEPFLNHUFGIPO-UHFFFAOYSA-N 433.133 4.305 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC2(CCOCC2)O1 799994844 GWLZCPVOAKJDBQ-MSOLQXFVSA-N 435.996 4.056 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2Cl)C1 800000371 CMPLOVCWIYPJJM-OAHLLOKOSA-N 435.977 4.302 10 20 IICD CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(O)n1 800049589 RBLUPACGLKFJQR-CQSZACIVSA-N 449.020 4.351 10 20 IICD COc1ccc(N(Cc2noc(CNC(=O)OC(C)(C)C)n2)Cc2ccco2)cc1F 800357397 PRKIVGXWCHFABH-UHFFFAOYSA-N 432.452 4.042 10 20 IICD C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C 800765320 VYCRTBISWBOLJE-QGZVFWFLSA-N 441.963 4.082 10 20 IICD Cc1ccc(Br)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 807511633 RVOPNNWBSLTSCI-UHFFFAOYSA-N 432.101 4.025 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cc(Cl)ccc1OC[C@H]1CCOC1 808114442 YRCFIOXUJKDUSG-JTQLQIEISA-N 436.288 4.054 10 20 IICD COC(=O)c1c(F)ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C 810394118 YQFSDFYABSIGIC-MRXNPFEDSA-N 449.482 4.236 10 20 IICD COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C4CC4)C3=O)cc2OC)cc1 814284398 FTSNWTHUBAUJFC-XDHOZWIPSA-N 441.530 4.287 10 20 IICD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cccc1-c1ncco1 815480541 YLFVHMJCZHEAFB-UHFFFAOYSA-N 432.524 4.141 10 20 IICD C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1OCCc2sccc21 815834898 DYUPSGQDXALJLT-LFRPXUGBSA-N 434.989 4.138 10 20 IICD Cc1cc(Br)c(O)c([C@H]2Nc3ccc(Br)cc3C(=O)N2C)c1 877854351 PXQDPMREQLISKT-HNNXBMFYSA-N 426.108 4.422 10 20 IICD O=C(NCc1cccc(OCC(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916389437 XCUPGRHAJHSPMR-IBGZPJMESA-N 438.446 4.224 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc4cnccc34)n2)cc1OC 917844717 CZGRLAHIFJOWHS-UHFFFAOYSA-N 427.507 4.176 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)c(F)cc2N1 917845354 VUWXIWQVRIOSOC-UHFFFAOYSA-N 437.905 4.288 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)s1 917872563 MTTVPWMGRRLFSC-UHFFFAOYSA-N 444.943 4.121 10 20 IICD Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(C)n1-c1ccc(F)cc1 918123877 BFXGQHNWLDAJEZ-UHFFFAOYSA-N 440.906 4.075 10 20 IICD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919970123 PPJSGDDKNIJBFR-OAHLLOKOSA-N 437.367 4.286 10 20 IICD CSc1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920785175 KUNAOPWCFJLHKF-OAHLLOKOSA-N 432.977 4.085 10 20 IICD C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(N2CCOCC2)cc1 920880985 QGWCCMYFKBTHPA-SFHVURJKSA-N 446.576 4.319 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3c(nc2O)CCC(C)(C)C3)cc1 1319459266 WYNLRZOJVGQXEU-OAQYLSRUSA-N 437.584 4.190 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccn2)C3)cc1 1800512956 PZLXVQXUHSOLQS-UADZTWIMSA-N 428.536 4.055 10 20 IICD CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846087486 HIGJIYVIMBUJGI-ZRDIBKRKSA-N 444.572 4.017 10 20 IICD CCOc1ccc(Nc2ncccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10907713 KKXYPSXPEKJPEK-UHFFFAOYSA-N 446.551 4.333 10 20 IICD O=C(CSc1ncnc2ccsc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 26953177 CVOCHRNUQRUHTE-UHFFFAOYSA-N 431.498 4.198 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4ccccc4)c4ccccc4c3=O)CC2)cc1 108220326 DYQFLPQYJBRYBA-UHFFFAOYSA-N 440.547 4.242 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCc2nnc(-c3ccccc3)o2)cc1 116582460 YVHUBIUSWOTAPB-QHCPKHFHSA-N 448.567 4.333 10 20 IICD O=C(c1cccnc1NCc1ccc(N2CCC(CO)CC2)cc1)N1CCc2ccccc21 301378349 XKRWXOLLOCHOSR-UHFFFAOYSA-N 442.563 4.105 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3ccc(Cl)c4cccnc34)CC2)cc1 302981779 JSBFZNDFXULQAT-UHFFFAOYSA-N 441.984 4.479 10 20 IICD Cc1cc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c(C)n1-c1ccc(F)cc1 303125513 OBSXPXRYCGEMEB-FQEVSTJZSA-N 448.542 4.183 10 20 IICD CO[C@H](c1cccc(Cl)c1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 545003038 GMPLBKQROSUUIU-GOSISDBHSA-N 425.897 4.342 10 20 IICD CN(C)c1ccc(CNCc2sc(N3CCOCC3)nc2-c2ccccc2)cc1F 727644954 RNHBFKPFXGRGSJ-UHFFFAOYSA-N 426.561 4.142 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 728839798 PFBYWPYQOYYENC-UHFFFAOYSA-N 427.448 4.344 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4ccccc4F)C3)cc2F)C[C@@H](C)O1 730580817 UNYQNVDUJUPBAV-ZHALLVOQSA-N 429.511 4.278 10 20 IICD CC[C@H](C)CN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 731998435 UTZBRZKISGLCMZ-ZENNRRHLSA-N 441.416 4.155 10 20 IICD O=C(c1cc(O)cs1)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 732300944 IYLFDRQTZAQCAR-AWEZNQCLSA-N 434.315 4.167 10 20 IICD CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 733046557 BCUHNKOSCYGOHN-GOSISDBHSA-N 449.555 4.441 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 734403241 ZGDUHKFWIIJPLJ-OAHLLOKOSA-N 444.626 4.326 10 20 IICD CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 735379749 URXMEFXLTZLGRL-RDJZCZTQSA-N 431.524 4.015 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NCc3cc4c(cc3OC(F)F)OCO4)C2)cc1 742384690 JEIFOCRMIUJJGX-CQSZACIVSA-N 442.409 4.377 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2cccc(F)c2)n1 742804833 BUIMYOMETXBBAA-INIZCTEOSA-N 430.430 4.012 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cn1 743045860 CEUSIEPSNNKXAZ-UHFFFAOYSA-N 432.552 4.175 10 20 IICD Cn1cc(-c2csc(NS(=O)(=O)c3ccc(OCC4CCCCC4)cc3)n2)cn1 743050403 QUTAIEQZCJAVBS-UHFFFAOYSA-N 432.571 4.304 10 20 IICD CCN(CC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1)C(=O)OC(C)(C)C 745786178 HFJDZHDVGNBRDZ-UHFFFAOYSA-N 436.572 4.070 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccccc2F)CC(C)C)c1 746061916 OFORFINEBRBPPG-UHFFFAOYSA-N 428.548 4.224 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(=O)OC)c3)n2)s1 747855686 ABCAYLWRMOJCNP-UHFFFAOYSA-N 426.516 4.161 10 20 IICD CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 748959851 LXYHLPBYHQKYBT-SJLPKXTDSA-N 445.551 4.406 10 20 IICD CC1CCN(C2CCC(NC(=O)NCc3ccc(N4CCSCC4)cc3)CC2)CC1 752649308 CFFRDOQAZPNJAQ-UHFFFAOYSA-N 430.662 4.082 10 20 IICD CCC1(CC)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21 752653519 IKWQWYGDCYOPFM-FQEVSTJZSA-N 434.584 4.176 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 752702165 AMESHAIZPSRBSA-NRFANRHFSA-N 443.613 4.071 10 20 IICD O=C(NCCCSc1nccs1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 753218493 AYUQSHTYBGFEHG-MRXNPFEDSA-N 434.635 4.380 10 20 IICD CC[C@H](N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1 754324985 UOMGEQOJEYUZFP-KSSFIOAISA-N 433.533 4.295 10 20 IICD Cc1ccc(O)c([C@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1 756455217 BOJIQULZVGUIEJ-KRWDZBQOSA-N 428.529 4.169 10 20 IICD C[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)cc(Br)c1O 756581907 DTNLJNXLUPXDSQ-DMDPSCGWSA-N 448.199 4.215 10 20 IICD C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cc(F)ccc1O 756589546 METXHSJSWJADGZ-LBPRGKRZSA-N 430.339 4.197 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(Br)c(F)cc1O 756770858 XZDWNPGXVDEBMM-CHWSQXEVSA-N 430.339 4.197 10 20 IICD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 758713843 HZEWFARUCLLTDP-MQSCRBSSSA-N 428.504 4.142 10 20 IICD O=C(Nc1ccccc1O[C@@H]1CCOC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760062818 PPJZUXVDWIRRSH-VQIMIIECSA-N 447.482 4.246 10 20 IICD CC(=O)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1C 760887746 HJPOWDSHEQQGIK-UHFFFAOYSA-N 430.507 4.018 10 20 IICD CCOc1ccc(O)c(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 761991792 KEQNUXPEZLYOKZ-UHFFFAOYSA-N 430.501 4.021 10 20 IICD CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccc(F)cc2O1 765970666 NJSAJMLPJSCUJK-HXUWFJFHSA-N 445.510 4.028 10 20 IICD COC[C@@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 767248209 FXJVBQDSNBAMKQ-YHZJOHHESA-N 438.640 4.005 10 20 IICD O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N(Cc1ccco1)Cc1ccccc1O 768109479 PNNCFZGJIQSQCC-UHFFFAOYSA-N 445.397 4.445 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4ncccc4F)n3)cc2F)C[C@H](C)O1 768340717 CIFYYRPZHBREQU-KBPBESRZSA-N 444.507 4.027 10 20 IICD CN(C)C1CCN(c2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2)CC1 769409924 FEHTZNQMNRUREC-UHFFFAOYSA-N 438.576 4.123 10 20 IICD O=C(OCc1ccccc1)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 770508245 FMRFZFSOJXZAKY-NRFANRHFSA-N 434.492 4.173 10 20 IICD CC[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)ccc1O 775501308 GSCQJPRUSDDQJC-NRFANRHFSA-N 433.390 4.352 10 20 IICD Cc1cc(C)cc(-c2nnc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)s2)c1 775859048 PAOCGVZRUVPWCW-UHFFFAOYSA-N 441.532 4.119 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 777859181 FOUPTMUONJPSER-UHFFFAOYSA-N 448.894 4.016 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cccnc1SCc1cccc(Br)c1 778925644 NOALOINGFAVQQF-UHFFFAOYSA-N 445.338 4.478 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2nnc3ccc(C(F)(F)F)cn23)c1O 779004343 DMFOWHYPUUVNNT-SNVBAGLBSA-N 429.240 4.375 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1 788950050 CNGKGJZVARZKGV-QHCPKHFHSA-N 436.600 4.106 10 20 IICD C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794799026 XVMNXTWOZZKFKO-ZDUSSCGKSA-N 428.385 4.092 10 20 IICD CN1CCCc2cc(CNC(=O)N(Cc3ccc(Cl)cc3)Cc3cnn(C)c3)ccc21 797441078 OIXQMALEEVQMCX-UHFFFAOYSA-N 437.975 4.368 10 20 IICD COc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636625 LUICRODPPZIMJI-INIZCTEOSA-N 429.948 4.148 10 20 IICD CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](c2cccc(F)c2)C1 800645666 KXVXXSSNFDQGLV-IBHIWXBSSA-N 442.487 4.071 10 20 IICD CCOC(=O)c1c(NC(=O)CN(CC2CCOCC2)OC)sc(C)c1-c1ccccc1 801604887 ZSMWWLFDKKQKMA-UHFFFAOYSA-N 446.569 4.129 10 20 IICD Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(N4CCCCC4)cc3)n2CC(C)C)n1 802673611 LRFOHYNBNYGSDO-UHFFFAOYSA-N 435.620 4.422 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Oc2ccccc2)cc1 804132258 RZMCGKJXSYHVSC-FQEVSTJZSA-N 441.531 4.349 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3cccc(F)c3)C(C)C)cc2)CC1 805026505 QJIJAPZQOFDZLY-UHFFFAOYSA-N 425.548 4.115 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc2nc(C(F)F)sc2c1 806922355 ZQDUWPKLMXSRMY-UHFFFAOYSA-N 431.464 4.073 10 20 IICD Cc1cc2c(N3CCC[C@H]3C(=O)NCc3cc(Cl)cc(Cl)c3O)ncnc2s1 807839873 SMCFPRNIAUNYFM-HNNXBMFYSA-N 437.352 4.297 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccc(Cl)cc1 816619224 XTNSDLYXBAOILQ-AWEZNQCLSA-N 435.543 4.394 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1 873854253 LZZDWZLXXSQSTK-UHFFFAOYSA-N 434.514 4.044 10 20 IICD Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nn1-c1ccc(F)cc1 914455236 QMGIEGXPFVTVIP-UHFFFAOYSA-N 433.487 4.216 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 914576982 QZJBNKPLRRWJCW-UHFFFAOYSA-N 440.905 4.498 10 20 IICD CCc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccc(Br)cc1 915829538 ZSWOBYJAODVHTN-UHFFFAOYSA-N 427.346 4.193 10 20 IICD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 917924520 XRIGMRRCXFDLSI-UHFFFAOYSA-N 434.455 4.044 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3N3CCCCCC3)cc2)C1 918029983 JHEWHWMNTDIMQK-NRFANRHFSA-N 449.599 4.090 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCCN(C)c3ccccc3)cc2F)C[C@@H](C)O1 919782576 ZMAXZJLYSALGCJ-WOJBJXKFSA-N 442.579 4.155 10 20 IICD C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 920870281 PAPQKDAABFPJEH-ZDUSSCGKSA-N 448.894 4.235 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OC)n2)s1 921235494 FYAVAIHPKYEMEF-UHFFFAOYSA-N 437.568 4.202 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)c1 1116027871 FATLUXUJQFKTGP-OAHLLOKOSA-N 429.977 4.185 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1 1318378079 BDXMEHIZLAQESS-UHFFFAOYSA-N 441.578 4.126 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1)c1cc(O)nc(O)c1 1788416251 PIDBMLMPNUSJGH-UHFFFAOYSA-N 449.488 4.362 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccn2)cc1 1795000096 UFKFYHLMYIERGS-UADZTWIMSA-N 428.536 4.055 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2CCCCO2)C3)cc1 1800512979 SQQJXNDGRDLCHE-RVFVQDDPSA-N 449.595 4.305 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCCOc1ccccc1 11647315 RCGYBTWFUKCJQU-UHFFFAOYSA-N 433.533 4.479 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3cc(C4CC4)nc4ccccc34)CC2)cc1 32271153 BNQQAQAMEGNNKF-UHFFFAOYSA-N 444.579 4.063 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)s1 727249948 HGCPEYHMKXOPQR-JTQLQIEISA-N 425.532 4.009 10 20 IICD CC(C)(C)OC(=O)NCC1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1 728199868 YHKFZOSVCNKVCM-UHFFFAOYSA-N 440.540 4.066 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3noc(-c4ccc(OC)cc4)n3)ccc21 728639942 UMOJPZKFZXFDKQ-UHFFFAOYSA-N 435.480 4.320 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCc1ccccn1 728786834 BHLQDJZOEZQZKC-UHFFFAOYSA-N 431.359 4.136 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C2CC2)cc1 729175313 XINCQTMBUPBDLM-UHFFFAOYSA-N 425.426 4.232 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1F 731364367 YLQHHGATJIVVET-NRFANRHFSA-N 427.499 4.133 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 734701540 DIEWGNHKTMSPAK-UHFFFAOYSA-N 434.565 4.003 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)c1 741428728 ZCZGJKLSLXGVRG-QGZVFWFLSA-N 440.540 4.484 10 20 IICD Cc1ccc(O[C@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742754213 NVPZTRSWICSXHT-XMSQKQJNSA-N 441.572 4.211 10 20 IICD COc1c([N+](=O)[O-])cc(NCCCSc2nccs2)c([N+](=O)[O-])c1Br 746461056 NZTQPGQNOSHRKK-UHFFFAOYSA-N 449.308 4.325 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 753635009 ASJBYXCVEZKGPO-MRXNPFEDSA-N 433.533 4.399 10 20 IICD C[C@H](NCc1ccc(N(C)C)nc1)c1cc(Br)cc(Br)c1O 756399375 DAWHLLVLEHCRRA-JTQLQIEISA-N 429.156 4.229 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ccc(Br)cc3O)cc2F)CC1 756554004 LHJDZKKZLUXFJB-OAHLLOKOSA-N 436.369 4.287 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)ccc1Cl 757501506 VIOOEVYVHUDGTL-UHFFFAOYSA-N 426.903 4.261 10 20 IICD C[C@H](NC(=O)Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(N2CCOCC2)cc1 758072205 CZGFXAGMAQHDCN-AWEZNQCLSA-N 427.505 4.064 10 20 IICD CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 760167812 LEYODRPBLPAQCU-OAGGEKHMSA-N 432.458 4.214 10 20 IICD CC(C)N1CCN(C2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)CC1 760283879 FORFQMAMVIUKQV-UHFFFAOYSA-N 446.433 4.298 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(OC)cc1 765280290 JJWDKUZUZSLRRH-QHCPKHFHSA-N 435.547 4.192 10 20 IICD Cc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)c1 765671733 XQVSCHZIBRXBGX-NLFFAJNJSA-N 430.552 4.376 10 20 IICD CN1CCN(c2ccc(CNc3ccc(CC(=O)N4CCc5ccccc54)cc3)cc2)CC1 771853522 FSPNJJPFSIOZCW-UHFFFAOYSA-N 440.591 4.182 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 773747719 GAVYINPVTAUEEA-JTQLQIEISA-N 437.336 4.262 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccc(N(C)C)cc1 773858043 NXHFKFBAYVYESP-KRWDZBQOSA-N 431.540 4.022 10 20 IICD C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(N(C)C)cc1 773991523 ZCAYKQKXGJLKEK-INIZCTEOSA-N 441.528 4.184 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 775368851 HLCMQQHMHRJQGW-MBSDFSHPSA-N 443.547 4.481 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nnc(-c2c(F)cccc2Cl)s1 775897728 CRFNKKOKOSCZPG-UHFFFAOYSA-N 447.923 4.156 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 776515500 TVBHCAITYFLVQO-RXVVDRJESA-N 428.577 4.040 10 20 IICD CCOC(OCC)c1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1C 778562107 IRAMCEXKVQZFNI-UHFFFAOYSA-N 428.558 4.269 10 20 IICD O=C1/C(=C/c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2 780143044 JPAPKYDKMYUQOI-GXHLCREISA-N 439.493 4.205 10 20 IICD Cc1nnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(N(C)C)cc2)CC3)n1C 782658880 RSFSRPZRJKAUTQ-SDXDJHTJSA-N 438.535 4.477 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c1 786891979 ZPHVAOJUVSROBT-WZONZLPQSA-N 448.519 4.288 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3nc(Br)ccc3F)cc2F)CC1 788594482 NCIBLSZQEOQQCR-AWEZNQCLSA-N 439.348 4.115 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)cc1 792039978 MNDCLBZGAJLMBS-SFHVURJKSA-N 430.574 4.131 10 20 IICD Cn1cc([C@H]2CSCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 792406607 DPECWVNQQCZGGV-HXUWFJFHSA-N 434.525 4.091 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn2ccc(Br)cc2n1 794853232 VTLOEHSTCOYYQK-UHFFFAOYSA-N 427.346 4.359 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(Br)cc(F)c1O 798940285 SCLJZZCHCGZLOV-SGTLLEGYSA-N 437.309 4.385 10 20 IICD Oc1c(Br)cc(Br)cc1CNC1CCN(c2nccs2)CC1 798961856 GBCAPUYEBWLRBD-UHFFFAOYSA-N 447.196 4.132 10 20 IICD CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CCC2 837753954 ZLPMYICMNZVNJG-MNDPQUGUSA-N 442.563 4.044 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1c(F)cccc1Cl)c2[N+](=O)[O-] 914479364 SMASUMCGMMNECE-UHFFFAOYSA-N 438.798 4.093 10 20 IICD Cc1ccccc1NC(=O)C[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916835390 YYXFLTJJFYDAQQ-KRWDZBQOSA-N 435.490 4.357 10 20 IICD CC(C)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(O)c(C(C)C)c1 920014883 IGOCCUBANCYBGJ-UHFFFAOYSA-N 430.570 4.126 10 20 IICD C[C@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1116172271 ZIWNWEDPQHHPLS-ZDUSSCGKSA-N 449.409 4.026 10 20 IICD COCCS(=O)(=O)c1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1 1116698424 LOQWRVKEAPYPIA-UHFFFAOYSA-N 446.956 4.420 10 20 IICD O=C1N[C@@H](Cc2ccccc2Cl)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1354216888 TZMBBAAEMYUPHA-APWZRJJASA-N 449.885 4.073 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)cc(Br)c2)cc1 303107082 JTOGFWVMWYITIU-HXUWFJFHSA-N 435.337 4.476 10 20 IICD CCCc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]c(C)c1C(C)=O 726567571 QUVBZSLUOKPYLO-UHFFFAOYSA-N 433.499 4.478 10 20 IICD CCNc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-] 726632416 VPYBTFPBHDUESQ-UHFFFAOYSA-N 434.443 4.027 10 20 IICD CN(CCc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 730117569 MUTUQEMKCGCIRZ-UHFFFAOYSA-N 448.430 4.386 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@H](OC3CCCC3)c3ccccc3)cc2F)CC1 730192884 OQBODMBEEFVERL-RUZDIDTESA-N 439.575 4.284 10 20 IICD CC(C)OC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 730509418 AIWROARKGCNWND-GHRIWEEISA-N 438.640 4.146 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 731169425 MJFQPMZAWDEZDP-FQEVSTJZSA-N 447.501 4.196 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1F 731404855 SNBQHVANYCUUAB-SFHVURJKSA-N 436.572 4.070 10 20 IICD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC(F)F 734221280 NAWLZHSGQYUHPZ-UHFFFAOYSA-N 431.483 4.184 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(C)c(Oc4ccncc4)c3)cc2F)CC1 734322356 RQAPKYYSOOJIRI-UHFFFAOYSA-N 448.542 4.393 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 734692204 LSHVHKJVJFKWGJ-LJQANCHMSA-N 431.536 4.490 10 20 IICD Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 741742612 WQUFMUJWBPSJOE-GOSISDBHSA-N 427.564 4.482 10 20 IICD CS[C@@H]1CC[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 742742110 RILRYWIBSOMTJN-CRZKQFNSSA-N 426.654 4.130 10 20 IICD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800712 LJHIQNNMFKJTKA-KRWDZBQOSA-N 448.470 4.174 10 20 IICD O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805856 OUCUJIFPCHLARM-HNNXBMFYSA-N 448.495 4.117 10 20 IICD CCO[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCCC2 743702615 QYRWTEVUBWMXBF-UXHICEINSA-N 437.531 4.294 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Cl)c2c(c1)OCCO2 743809096 LKLCBTMZJDWOCJ-UHFFFAOYSA-N 426.694 4.242 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1COCc1ccccc1 743956437 UPKIIORFKKEXAH-UHFFFAOYSA-N 444.531 4.243 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2)c1 743956759 VGIMGSHIVJSMRU-UHFFFAOYSA-N 444.531 4.413 10 20 IICD CCN(CC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(OC)c(OC)c1 745983707 FGXNOEWLHCCQCU-UHFFFAOYSA-N 429.261 4.210 10 20 IICD COc1ccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(OC)c1 747005609 DCYDNIASKPVJEK-UHFFFAOYSA-N 432.480 4.417 10 20 IICD CN(C)c1ccc(CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C2CC2)cc1 749272835 YSVUENUXZLQUQO-UHFFFAOYSA-N 439.903 4.029 10 20 IICD CC(C)C[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1 751937515 PMBFTAUPVDWEFF-FQEVSTJZSA-N 437.565 4.377 10 20 IICD COc1ccccc1OCC(=O)Nc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 756814722 LCSAYYWCUBUGQE-HNNXBMFYSA-N 437.452 4.500 10 20 IICD COC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc12 758648004 ZSKPJUAUADLNEE-UHFFFAOYSA-N 433.508 4.314 10 20 IICD COc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc4ccccc4c3)CC2)cc(OC)c1OC 759873169 QZPNDJZWYDCXKG-SFHVURJKSA-N 449.551 4.015 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(/C=C\c4ccco4)s3)CC2)cc1 763992034 MXLIHOCQEBJQTB-KTKRTIGZSA-N 425.514 4.054 10 20 IICD Cc1ccc(C(=O)N2CCC(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)CC2)cc1 765660297 FMXYPCDDCXZPAX-LJQANCHMSA-N 442.003 4.440 10 20 IICD CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(-c2ccccc2)ccc1O 769127928 ZUHHPAOFXUMWKA-UHFFFAOYSA-N 425.550 4.364 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3cccc(F)c3F)CC2)c1 769780962 UOPNBYIGQYBHEZ-UHFFFAOYSA-N 444.522 4.085 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4ccc(Br)cc43)cc2)C1 771381760 GWDUATSCEKYYCW-GCJKJVERSA-N 442.401 4.318 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 779510605 LAZBWXLLRMDZIJ-FIRRRZPPSA-N 425.872 4.221 10 20 IICD Cc1ccc([C@H](NC(=O)NCc2cccc(Br)c2O)c2ccccn2)cc1 792300649 UOQBGOAZUVVCSQ-IBGZPJMESA-N 426.314 4.447 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(I)c(C)cc2C)c1 793687722 ASDCHXGZFQWZBD-GFCCVEGCSA-N 425.266 4.113 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3CN3CCOCC3)cc2Cl)C1 800050242 QUYUTYYCBDCUIX-LJQANCHMSA-N 442.003 4.339 10 20 IICD O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)N(Cc1ccco1)Cc1ccccc1O 800763654 RZFCJOSBPCIILT-HSZRJFAPSA-N 443.503 4.300 10 20 IICD C[C@@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)c(F)cc1O 800993371 KFRQKPJZFZWWNI-ZBFHGGJFSA-N 435.337 4.178 10 20 IICD CN(c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1)C1CCCCC1 806616043 ZNKUHHSKVVKFJM-FXAWDEMLSA-N 427.511 4.158 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2ncsc2c1 807566574 YBCQTKHDIZQERT-OAHLLOKOSA-N 435.505 4.001 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1oc(Br)cc1C 807931267 BTPIQIIOVOEOKI-UHFFFAOYSA-N 437.334 4.353 10 20 IICD COc1cc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C 808920141 WZGBVLRHWQKUBK-UHFFFAOYSA-N 429.948 4.244 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 813792773 CGQDXHQZFKNSJR-HZPDHXFCSA-N 433.549 4.083 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(F)c3)C2=O)cc(OC)c1OC(C)=O 814294044 JGNQQXCMFQGQLO-GIJQJNRQSA-N 447.509 4.482 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC(=O)NC1CCCCC1 821684434 QYKXGRCVGXMVAD-UHFFFAOYSA-N 438.553 4.442 10 20 IICD CCOc1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914481504 PQUZEPUIGAWUHZ-AQTBWJFISA-N 446.619 4.445 10 20 IICD CCOc1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 914481506 PQUZEPUIGAWUHZ-QGOAFFKASA-N 446.619 4.445 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 914505532 KFJBRYFPTDRKGD-QINSGFPZSA-N 433.596 4.442 10 20 IICD CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CCCC2 915185009 CVPWLQDOIRCEHZ-OAHLLOKOSA-N 430.501 4.396 10 20 IICD O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)c1ccco1 916246841 URODQDHOVXRTOB-OAQYLSRUSA-N 449.507 4.128 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 916680580 NNVWVJDWRZCYEB-IYBDPMFKSA-N 428.508 4.028 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 917869206 GOXVOXOSKVBSQK-UHFFFAOYSA-N 427.960 4.028 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)C1 918123467 XHPJYLMHNSXJRY-XMSQKQJNSA-N 440.975 4.088 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1Oc1cccc(F)c1 918279814 JHNZDMWQKGDFDU-UHFFFAOYSA-N 433.483 4.473 10 20 IICD CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 918800008 FAOWQPDRZFCRBQ-IWIPYMOSSA-N 430.504 4.306 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 919656132 ZCBZEIXWPXYVNA-UHFFFAOYSA-N 446.551 4.150 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)COCc3ccccc3)cc2F)C[C@H](C)O1 919798635 FZMUGDIALFWXBM-AABGKKOBSA-N 443.563 4.091 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(NC(=O)c2cccs2)c1 919969939 JMCXRVAQSKLNTO-UHFFFAOYSA-N 449.576 4.139 10 20 IICD COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 920872803 IUJAUNCQGCLVCY-INIZCTEOSA-N 433.936 4.085 10 20 IICD C[C@H](COc1ccccc1F)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1115958656 HMUNRFDTZXDIDM-OAHLLOKOSA-N 437.462 4.163 10 20 IICD O=C(Cc1coc(-c2ccccc2)n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1319817276 DEPCXDDLCLQHRO-IBGZPJMESA-N 425.916 4.024 10 20 IICD C[C@@H](NCc1cccc(OCC(F)(F)F)n1)c1ccc(N2CCOCC2)cc1Cl 1339382266 LWPOWFZMQJBQOP-CQSZACIVSA-N 429.870 4.364 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](C)Cc2ccco2)C3)cc1 1845399401 WLGPDRYFAYFTLQ-IBGZPJMESA-N 445.563 4.383 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 9975473 YMSXTTJEVLSPQO-UHFFFAOYSA-N 439.943 4.423 10 20 IICD Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)n1-c1ccc(F)cc1 39549590 QZARPHLIPGHHRF-OAQYLSRUSA-N 427.545 4.098 10 20 IICD COc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1OC(F)F 237395602 OLFWLLBEUHCOFA-UHFFFAOYSA-N 446.416 4.442 10 20 IICD COc1cc(-c2nnc(CN3CCCc4cc(OC(F)F)ccc43)o2)cc(OC)c1OC 725796274 HZBLGNBKRLPQJH-UHFFFAOYSA-N 447.438 4.317 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3ccc(Br)cc3F)CC2)cc1 726561777 RIRVZXCHPUMQNJ-UHFFFAOYSA-N 435.337 4.315 10 20 IICD Cc1cccc(C2(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CCCC2)c1 727033109 QTAGLDSLONOXRB-JOCHJYFZSA-N 448.611 4.008 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)s1 727244125 VDUWWQDQAQNSAJ-UHFFFAOYSA-N 436.584 4.259 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)/C=C\c3ccccc3Cl)cc2F)C[C@@H](C)O1 727449273 UMGAGJMSBQBHPF-YQYKAEFUSA-N 438.952 4.183 10 20 IICD COc1cccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)c1O 729859834 XKFXJZBTPYEINB-UHFFFAOYSA-N 429.270 4.281 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(-c4nccs4)c3)cc2F)CC1 730132475 DOUWFJYKYWZLCP-UHFFFAOYSA-N 439.560 4.413 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2ccccc2s1 730675726 XSVDZNDQDSJCFA-QFBILLFUSA-N 436.581 4.163 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)cc2)CC1 731049057 ZHBAWZJWKCUMLY-VWLOTQADSA-N 434.628 4.287 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1F 731346378 VBUHTZTZAOGNQO-UHFFFAOYSA-N 425.552 4.128 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)n1 737378948 CAMDLLJNEIGQJA-UHFFFAOYSA-N 431.539 4.195 10 20 IICD Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 738461150 VIQHOBNCKZKXSG-AWEZNQCLSA-N 441.519 4.342 10 20 IICD COc1ccc(C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C2)cc1 743554464 FRPCPISQDNMSPD-QFIPXVFZSA-N 439.625 4.413 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 745291894 HYTRPXSZOGGDOD-SFHVURJKSA-N 438.341 4.128 10 20 IICD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 745646954 CPXKQFSXXADJBN-GMAHTHKFSA-N 425.548 4.448 10 20 IICD CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751299138 JJGYZECEPGAQBV-OAHLLOKOSA-N 431.521 4.474 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)n1 753901403 IMRCGQGUCDFAAH-UHFFFAOYSA-N 433.512 4.078 10 20 IICD C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1cc(Br)ccc1O 756806165 XHKVXKQCJWDEMV-AWEZNQCLSA-N 432.362 4.025 10 20 IICD C[C@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)c(F)cc1O 757640784 UOJBSDSQAHSIIA-YOEHRIQHSA-N 437.353 4.101 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 760303487 DXSLOMGAMHCNCE-UHFFFAOYSA-N 443.550 4.158 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1F 761651736 QTQIAQYHCUOLNI-DEOSSOPVSA-N 437.515 4.004 10 20 IICD C[C@@H](NC(=O)Nc1nnc(/C=C/c2ccco2)s1)c1ccc(N2CCOCC2)cc1 764002718 WTFFVDLBFVUQQK-XVJNWHFHSA-N 425.514 4.021 10 20 IICD CCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1 769885434 KQRRDGVDPFIOKN-QGZVFWFLSA-N 438.959 4.416 10 20 IICD COc1cc(Br)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O 770378086 GNGLDRPDBFAURM-WFASDCNBSA-N 429.355 4.041 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(C)[C@@H](C)[C@@H]2C)sc(C)c1-c1ccccc1 771459877 MLLJAIGYSATRCL-IRXDYDNUSA-N 443.613 4.253 10 20 IICD CC(C)Oc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 773291984 JPYNTORUVSPTSH-UHFFFAOYSA-N 440.512 4.023 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1csc(N2CCOCC2)n1 774088835 KKTMLLDCZDHENT-SFHVURJKSA-N 437.565 4.018 10 20 IICD Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)cc2)c1 774357760 ZOOUYCGBXOTKNK-UHFFFAOYSA-N 436.533 4.163 10 20 IICD O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 777668750 UIDZQYFMZKPMOB-MRXNPFEDSA-N 436.961 4.156 10 20 IICD CCc1nc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)ccc2o1 782423850 MXJXQLATTHJWPK-UHFFFAOYSA-N 446.507 4.217 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 784027467 HVVAMMBUCXKYHR-UHFFFAOYSA-N 425.529 4.063 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784106340 LONIHWNMXKKURL-UHFFFAOYSA-N 438.553 4.357 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 784109549 VKGZPNZOTNVHDB-UHFFFAOYSA-N 445.523 4.358 10 20 IICD COc1cc(Br)cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O 785523261 XFQVJPUECUGVAT-UHFFFAOYSA-N 435.196 4.380 10 20 IICD O=C(NCCc1ccccc1OC(F)F)C(=O)N(Cc1ccccc1O)C1CCCCC1 787006287 FJZRJJOCEFTVLW-UHFFFAOYSA-N 446.494 4.014 10 20 IICD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cnn(Cc2ccccc2)c1Cl 789130944 SOGZYIRZVABKOH-XNTDXEJSSA-N 433.855 4.147 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2c(O)ccc(Cl)c2F)CC1 790980349 LYRJAIKQANTURC-UHFFFAOYSA-N 440.968 4.036 10 20 IICD COC(=O)c1ccc(CNC2CCN(c3ccc(OC)cc3)CC2)c(Br)c1 793585452 YXFASKYTVUZXOK-UHFFFAOYSA-N 433.346 4.003 10 20 IICD Cc1nc(SC(F)(F)F)sc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 798153166 LASVSTFZISTOMQ-UHFFFAOYSA-N 445.532 4.101 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@]3(Cc4ccc(Cl)cc4)CCOC3)CC2)cc1 800705047 PYDDZXQCOLBOCC-XMMPIXPASA-N 443.975 4.018 10 20 IICD COc1ccc([C@H](CO)N(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800719624 MFMWCUSQQLWPGD-SBUREZEXSA-N 445.991 4.460 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 801549387 MDPHIINCEGLTSL-UHFFFAOYSA-N 445.566 4.092 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802560142 OHQCHBUOQHSAJX-UHFFFAOYSA-N 438.987 4.157 10 20 IICD O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 804967390 QJHHAMQIVBUBEI-XMMPIXPASA-N 448.611 4.100 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCc1ccc(C2CCC2)cc1 809814962 IXYYKUWWHAZSTD-UHFFFAOYSA-N 445.357 4.087 10 20 IICD CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 810167947 RJQUBFWUKSEKJC-UHFFFAOYSA-N 449.548 4.025 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1 811935885 RKPYLCKVWZKIOB-KRWDZBQOSA-N 434.492 4.318 10 20 IICD CCS(=O)(=O)c1ccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 915337604 CPMUHMOWJQBIIJ-UHFFFAOYSA-N 425.554 4.252 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1SCC(F)(F)F 915778599 LXZQQFANQXEZBB-UHFFFAOYSA-N 437.487 4.196 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CS(=O)(=O)C(C)C 917691699 TUTDJRJQEFLTNS-SFHVURJKSA-N 442.503 4.121 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)sc2C)cc1 917846622 XNUHBFOHWBYRTL-UHFFFAOYSA-N 445.566 4.020 10 20 IICD CC(C)Oc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918203585 CDLNMEKFPVEEGP-HDICACEKSA-N 429.536 4.226 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(OC[C@@H]2CCCO2)c1 919910970 DZKZTFRZXAMKGT-RTWAWAEBSA-N 440.540 4.472 10 20 IICD Cn1c2ccccc2c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)sc21 919971380 UBWHUAWXCZTYNJ-UHFFFAOYSA-N 437.540 4.423 10 20 IICD C[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(N2CCOCC2)cc1 920869734 WGTQNJUYUWTDFS-HZPDHXFCSA-N 443.498 4.389 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)c(F)c3)cc2F)C[C@H](C)O1 921280149 FHJMSUHNFJWWLP-STQMWFEESA-N 439.300 4.271 10 20 IICD C[C@@H](c1ccc(F)cc1OC(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 1320773203 KUSNSQXSWIOWDM-JTQLQIEISA-N 428.794 4.312 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCn3c(C)csc3=O)c2C)c1 17153714 SDVQEVVHPNMJRL-UHFFFAOYSA-N 444.578 4.164 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4Cl)c3)cc2F)C[C@H](C)O1 109559893 LPXQUIXTSSHQAS-HOTGVXAUSA-N 442.922 4.208 10 20 IICD CCOCc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OC 215921208 WQBDLSVHEBQXDZ-UHFFFAOYSA-N 438.490 4.377 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3cc(OC)c(OC)c(OC)c3)ccc21 482960912 INONHSPYWJRPDK-INIZCTEOSA-N 440.540 4.421 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(C(=O)c4cccc(C)c4)CC3)ccc21 484746500 HWIBRULXTWLZLC-UHFFFAOYSA-N 447.579 4.201 10 20 IICD COc1ccc(CCC(=O)N2CCCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)cc1 725776368 WGVJUPXYMXZFMA-UHFFFAOYSA-N 448.563 4.230 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 726285140 NUXTXLTYRKQLNM-UHFFFAOYSA-N 440.975 4.185 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)c(Cl)c2)nc1-c1ccccc1 727251462 ZKPWNGZRBOTMPU-UHFFFAOYSA-N 436.942 4.288 10 20 IICD CC1CCN(c2ccc(CNC(=O)CSc3nnc(-c4cccs4)n3C)cc2)CC1 731015620 YGMMPSCHOCDSSB-UHFFFAOYSA-N 441.626 4.188 10 20 IICD O=C(NCc1ccc(NC(=O)c2cc(O)cs2)cc1)c1ccc(Br)cc1 732289007 ARHABWDYAVIBNY-UHFFFAOYSA-N 431.311 4.399 10 20 IICD CN(C)c1ccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1F 733327558 VCIFEPSSKVHWKE-NRFANRHFSA-N 425.470 4.074 10 20 IICD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCCSc2nccs2)cc1 733975153 XMUHLNJOLVFOGB-UHFFFAOYSA-N 436.562 4.063 10 20 IICD O=C(N[C@H](CN1CCCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 734280765 PVRQOTNMGLNEHC-BJKOFHAPSA-N 437.584 4.310 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 734942200 LKBLJZARPYXGSN-NRFANRHFSA-N 449.979 4.315 10 20 IICD Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc12 735517196 HLBDAMREDMRKMQ-QFIPXVFZSA-N 442.519 4.256 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 741090266 FRCNIZYHWPFQEG-UHFFFAOYSA-N 434.367 4.464 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC 741798971 PKANIIKQDAJSBN-UHFFFAOYSA-N 432.826 4.460 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2c(cnn2Cc2ccccc2)c1 742476237 PGRKJRQCTGMVQX-UHFFFAOYSA-N 425.536 4.400 10 20 IICD Cc1cc(S(N)(=O)=O)cc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1C 743161679 LHMFXQZJULIVGJ-UHFFFAOYSA-N 431.558 4.023 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccc(C)cc3)CC2)cc1 743708804 JZDWDGYZPVTTAG-PXDATVDWSA-N 437.584 4.440 10 20 IICD Cc1nonc1CNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 745641693 DMUXGWKJSNACNQ-KRWDZBQOSA-N 433.434 4.373 10 20 IICD COc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 746216015 MGCQSJWZDUKGHJ-HDICACEKSA-N 443.563 4.225 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)cs2)cc1 751932175 SKTXNPPDKVFFCF-UHFFFAOYSA-N 436.320 4.418 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1-c1ccccn1 754880094 CBQXHWPMTODTII-ROUUACIJSA-N 449.526 4.440 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]nc1-c1ccccc1F 755293031 RTOFZEAAYSGTMU-UHFFFAOYSA-N 430.430 4.216 10 20 IICD C[C@@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1O 756571762 DVVBPJKVLNLKDW-OAHLLOKOSA-N 428.404 4.074 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)ccc1Br 758269260 AIHXXOHVWHBHRM-UHFFFAOYSA-N 436.325 4.119 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1OC 759220920 NAAFUEARUWETQC-UHFFFAOYSA-N 432.520 4.342 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](Cc3ccccc3F)c3ccccc3)cc2)CC1 759998884 JVCCQTGZFUBCQH-RUZDIDTESA-N 438.568 4.134 10 20 IICD Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 760809788 PEKNVYYLFDGKQD-OAQYLSRUSA-N 443.551 4.080 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 765324301 MGMWSHAJOLQTCN-KNQAVFIVSA-N 445.510 4.476 10 20 IICD COC(=O)c1cc(NC(=O)NCc2cccc(Br)c2O)cc(Cl)c1F 765389273 MMVPUMCAGMZRNQ-UHFFFAOYSA-N 431.645 4.056 10 20 IICD C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765643557 VAWHMMRLHUCJLL-AWEZNQCLSA-N 438.906 4.312 10 20 IICD Cc1[nH]ccc(=NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1Cl 766591885 BFKOGVZVVBMQKI-GXDHUFHOSA-N 437.999 4.147 10 20 IICD CSC[C@H]1CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769322467 LGPHNJZXWYDFAL-LKKYZFDUSA-N 426.654 4.084 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1COC1CCOCC1 769665310 SVGBJZBIKBOHTJ-UHFFFAOYSA-N 441.483 4.410 10 20 IICD COc1ccc(-n2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2C)cc1 770725672 TVSDCOOIYLEMJT-XMMPIXPASA-N 448.567 4.077 10 20 IICD C[C@@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(N(C)C)cc1 773083951 MTEOCHWMSWTMJB-CQSZACIVSA-N 448.482 4.209 10 20 IICD CC(C)C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)Nc1nccs1 773151067 PQUYEBHWOLKLDH-BEFAXECRSA-N 437.009 4.337 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 773769441 VDYAFIUFXLPMOK-INIZCTEOSA-N 438.549 4.482 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCCCSc1nccs1 776515248 DNMWFABAHPQKAK-LSDHHAIUSA-N 428.624 4.103 10 20 IICD Cc1cc(C(=O)N2CCC(O)(C(F)F)CC2)c(C)n1-c1ccc(Br)cc1 779303553 DDNKULMVRYYTBC-UHFFFAOYSA-N 427.289 4.089 10 20 IICD Fc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ncc[nH]2)cc1 783222327 IZEUJFHQICAKQK-FQEVSTJZSA-N 434.437 4.283 10 20 IICD Cn1cc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)n2)cn1 786873713 GGTWHYAIMJAXNV-UHFFFAOYSA-N 438.962 4.177 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3N3C[C@H]4CC[C@H]3C4)cc2)CC1 790925571 BEYIUUGJRYEFGL-GMAHTHKFSA-N 446.595 4.167 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ncnn3-c3ccccc3)cc2Cl)C1 799982954 RGLKWVMXZFZCGB-QGZVFWFLSA-N 438.963 4.156 10 20 IICD COc1ccccc1Oc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 805544811 SWIAAEYUEDERMP-SFHVURJKSA-N 447.535 4.047 10 20 IICD CC[C@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807952948 RRBMWMIETUHPGA-LAUBAEHRSA-N 442.991 4.197 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)ccc1O 811703667 ZCAFPDQATXOSBM-UHFFFAOYSA-N 439.493 4.321 10 20 IICD COc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2Cc2ccccc2)cc1 812049850 NVCUZDYTOOWKJY-UHFFFAOYSA-N 430.508 4.256 10 20 IICD COc1cccc(CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914333577 HIHMLAIEBDPBQB-QGOAFFKASA-N 446.619 4.397 10 20 IICD CCOc1ncccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 915198733 VCZGECXSIUOYIX-QINSGFPZSA-N 433.580 4.162 10 20 IICD CC(=O)c1ccc(N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)c(F)c1 917391778 JKFMOGBISPEIJM-UHFFFAOYSA-N 425.529 4.460 10 20 IICD Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917710013 LUADSCGIJSGDPT-IRXDYDNUSA-N 435.543 4.463 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 917846851 DPKPFYJHTZSGGM-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CCCOc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC 918213012 LTYCGBQBWYSWLD-KRWDZBQOSA-N 445.535 4.020 10 20 IICD O=C(Nc1ccccc1-c1ccccc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295275 PNPLFUFKQNPRNK-OAQYLSRUSA-N 430.504 4.206 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)cc2)C1 918373404 YHBKVTVWUPSABT-FQEVSTJZSA-N 444.579 4.069 10 20 IICD N#Cc1c(NC(=O)CCN(Cc2ccccc2O)C[C@H]2CCCO2)sc2c1CCCC2 302809131 SMLTWVOOZLUEHB-GOSISDBHSA-N 439.581 4.214 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)ccc21 472754990 SRRGBSMRLBHPCE-UHFFFAOYSA-N 434.945 4.214 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)CC2)cc1 725868519 WGNRMNWXGQDKIQ-TZIWHRDSSA-N 433.474 4.492 10 20 IICD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 726531263 OUNCAYLMBFDUQL-UHFFFAOYSA-N 439.462 4.222 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 726563045 BNANYODORDOSRB-UHFFFAOYSA-N 439.556 4.370 10 20 IICD Cc1cccc(-n2ncc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2C)c1 726565581 HABCAJXZILASPY-UHFFFAOYSA-N 440.494 4.489 10 20 IICD CCCCCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726601793 QWHQMLUUFRZROR-UHFFFAOYSA-N 432.586 4.212 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1F 726629645 PGYAVXIZCIVDJL-SXGWCWSVSA-N 435.498 4.266 10 20 IICD CN(C(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 727140716 AVYMPCNZZYKILP-UHFFFAOYSA-N 439.493 4.097 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 727176726 YSTSLAIXVASPLN-TVPGTPATSA-N 440.377 4.087 10 20 IICD O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cccc(CN2CCSCC2)c1 731845518 CHCIWFLQDPAISF-UHFFFAOYSA-N 439.625 4.324 10 20 IICD C[C@H](NC(=O)NCCOc1cccc(C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 733800950 AMEXOQBBOSLSIO-IBGZPJMESA-N 425.573 4.260 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 737517737 QRILLZALCMOFSC-APWZRJJASA-N 447.501 4.217 10 20 IICD C[C@H](OC(=O)[C@H](C)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 738782288 UONMCQNDIACUMT-KGLIPLIRSA-N 433.485 4.197 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 740844769 VJZWQARWHRWWJB-UHFFFAOYSA-N 430.957 4.423 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 741664749 HYABXDXBEUBBHJ-UHFFFAOYSA-N 448.567 4.434 10 20 IICD C[C@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 743565468 WWSIAZIRJCOSPP-VQTJNVASSA-N 425.598 4.408 10 20 IICD COc1ccc(C[C@@H](CO)CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1O 746225739 ZICJJOVFIIXGKD-GOSISDBHSA-N 442.943 4.043 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@@H](C)CS(C)(=O)=O)n3)c2C)cc1 746881956 UKENDQHGWDJNCQ-AWEZNQCLSA-N 431.583 4.145 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(Cl)cc1Cl 747859834 FRAWFEWXBQJXDA-UHFFFAOYSA-N 429.325 4.181 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1F 747963585 LMBZRGUALOXBPO-GOSISDBHSA-N 427.568 4.092 10 20 IICD Cc1ccccc1[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751059952 BZNVIDAIACMTHV-INIZCTEOSA-N 442.562 4.193 10 20 IICD C[C@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 752157557 XLGPVYQUURXHKM-PXNSSMCTSA-N 429.948 4.101 10 20 IICD Cc1cc(C(=O)COc2cccc(F)c2C(N)=O)c(C)n1-c1ccc(OC(F)F)cc1 758913761 CPDHRDOJCBPCMX-UHFFFAOYSA-N 432.398 4.195 10 20 IICD CCOC(=O)c1c(NC(=O)Cn2cnc(-c3ccccn3)n2)sc(C)c1-c1ccccc1 762508991 GWZSCKVZEDHJTQ-UHFFFAOYSA-N 447.520 4.192 10 20 IICD COc1ccc(C[C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 765080763 SFZBRZNMHPXLEY-MRXNPFEDSA-N 438.490 4.280 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCC(=O)N(C)C 765381160 HRSHHNKJVFTKSN-LJQANCHMSA-N 425.573 4.003 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3c4ccccc4CC[C@H]3n3ccnc3)CC2)cc1 769097338 ZCKCFQQCDMVWKJ-RPBOFIJWSA-N 445.567 4.089 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)ccc21 774110334 KHTLMUGPTHAZCE-UHFFFAOYSA-N 436.556 4.175 10 20 IICD CC(C)[C@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCCO2 775831351 QTSCCOIRVDWPLQ-CJAUYULYSA-N 425.573 4.078 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 784058302 OZROZPQUTOTWGX-NPPFBWRTSA-N 435.572 4.439 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccc(CC(C)C)cc3)cc2)CC1 786259950 SVBLGNWGVXQRIN-UHFFFAOYSA-N 435.612 4.193 10 20 IICD O=C(NCc1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 788358650 UYQRSDNWOVWXGB-UHFFFAOYSA-N 429.520 4.012 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 788939871 WEOFHTNVRWFBBO-UHFFFAOYSA-N 437.559 4.404 10 20 IICD CC(C)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 790215875 WKGOXPSLNJUGNH-UHFFFAOYSA-N 440.968 4.042 10 20 IICD C[C@@H](NCCCCn1cc(Br)cn1)c1cc(Br)cc(F)c1O 794826396 CGVGXJKTZQVZFK-SNVBAGLBSA-N 435.135 4.384 10 20 IICD O=S(=O)(c1c(Cl)cc(F)cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 797827123 VPBVXNQKSXEWHA-CQSZACIVSA-N 434.316 4.208 10 20 IICD O=C(Nc1nccn1-c1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 801762266 FPIREFHWYBSTKX-UHFFFAOYSA-N 427.455 4.264 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 802610130 RERFAVHQVMXXGC-UHFFFAOYSA-N 425.529 4.063 10 20 IICD CC(=O)C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 808013259 TZAIMKLOQFCYSN-UHFFFAOYSA-N 440.575 4.420 10 20 IICD C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(N2CCCOC2=O)cc1 814451332 XXJQSLLOBKHZDB-ZDUSSCGKSA-N 448.317 4.062 10 20 IICD CC(C)(C)OC(=O)Nc1cc2c(cc1NCc1ccc(N3CCOCC3)c(F)c1)OCO2 816602925 RZKXBLDQRUGNNC-UHFFFAOYSA-N 445.491 4.350 10 20 IICD COc1ccc(N2CCCN(C(=O)c3sc(-c4c(C)noc4C)nc3C)CC2)cc1 857439802 GCTVQFGKGWFQDN-UHFFFAOYSA-N 426.542 4.084 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccc(Br)cc2[nH]1 906596484 LLNZKDCUEQEXCY-UHFFFAOYSA-N 428.330 4.039 10 20 IICD Cc1cccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 914439123 FOUSXRVCYDJMOJ-UHFFFAOYSA-N 435.597 4.190 10 20 IICD CC(=O)Nc1ccc(C)c(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 917932516 SBWJKBNRIDZBGP-OAHLLOKOSA-N 441.487 4.168 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918444325 OZPQHZKRMCNVHO-CQSZACIVSA-N 439.364 4.275 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n(C)n1 919585874 SSZRCHWRRIDCFM-OAHLLOKOSA-N 431.439 4.166 10 20 IICD Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1cccc(Cl)c1 919970012 JPXAUBODWCESJJ-UHFFFAOYSA-N 431.945 4.250 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCc3nc[nH]c3C2)sc(C)c1-c1ccccc1 929074688 UFRYTZCZZHXXRW-UHFFFAOYSA-N 438.553 4.010 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Br)cc3C(N)=O)c2C)cc1 1318652337 XDKYAPPOSQCDAN-UHFFFAOYSA-N 442.313 4.216 10 20 IICD CC1(C)CCc2nc(O)c(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2C1 1319569562 CJDZYIWMGNHOMT-SFHVURJKSA-N 443.975 4.056 10 20 IICD COc1ccc(N2CCCN(c3nnc(C4CCCCC4)n3C[C@H]3CCOC3)CC2)cc1 1519186203 XBBDFFQDLVRCMH-HXUWFJFHSA-N 439.604 4.088 10 20 IICD Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1794313270 XAEJHCWLVKJNNR-MUJYYYPQSA-N 448.972 4.006 10 20 IICD CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccccc1OC 28020727 HPEFSGARLRWTDR-WIOPSUGQSA-N 437.584 4.157 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NC(=O)NCc1ccccc1 109622280 OISQMEBRVSHILF-UHFFFAOYSA-N 448.470 4.231 10 20 IICD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 116030535 QKPJEKGAXXTKMW-OAQYLSRUSA-N 443.613 4.216 10 20 IICD CCc1nnc(-c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)cc2)o1 535404167 YXFUAJWICZNMNU-UHFFFAOYSA-N 432.505 4.076 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(-c2ccccn2)n1 726565559 GLMPMEGEXWVSGF-UHFFFAOYSA-N 430.480 4.205 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1F 726602073 WSYLBQRXFUBBEF-UHFFFAOYSA-N 434.867 4.028 10 20 IICD C[C@H]1CCCCN1CCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610370 DTJKTPVTLLIZGE-SFHVURJKSA-N 438.563 4.211 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)SC2=S)cn1 726985995 IYWFFBHWQPYWBA-DKFVHQPUSA-N 429.567 4.093 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cn1 726986260 MGMCXZDURVWTTK-NTUHNPAUSA-N 425.304 4.398 10 20 IICD CN(C)c1ccc(/C=C2/NC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1F 727654471 MYKPLSNJKNEGNM-XNTDXEJSSA-N 425.407 4.053 10 20 IICD Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1-c1ccccn1 728022517 CQXFCGCMDHCSJI-UHFFFAOYSA-N 437.301 4.289 10 20 IICD COc1ccc(Sc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)cc1 728212492 NPZIXBHSEWGTST-UHFFFAOYSA-N 444.534 4.176 10 20 IICD Cc1ccccc1OCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 729503849 XROVBTPYGDFWIT-UHFFFAOYSA-N 433.499 4.334 10 20 IICD Cc1ccc(CNC(=O)c2nnc(CN(Cc3ccco3)Cc3ccccc3O)s2)cc1 731845122 YSAUMJBHTUMHCN-UHFFFAOYSA-N 448.548 4.278 10 20 IICD Cc1cc(F)ccc1-c1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)o1 734556018 GKKVZFXWNAKSFO-XSFVSMFZSA-N 446.569 4.318 10 20 IICD CS[C@@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 740360630 LMZWTHGXGICWGX-XMMPIXPASA-N 445.496 4.048 10 20 IICD CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)no1 741672204 NCCGFRAGKLPBAI-UHFFFAOYSA-N 434.540 4.092 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCOc3ccc(Cl)cc31)c2[N+](=O)[O-] 741999208 UUAVZNDEGPHSRO-UHFFFAOYSA-N 448.818 4.063 10 20 IICD CCOc1cccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1O 742382834 KYWFKOYOCVRARF-QFIPXVFZSA-N 429.513 4.213 10 20 IICD CCO[C@H](C)c1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 742619627 VQLPOBKRBJKMPT-CYBMUJFWSA-N 425.501 4.241 10 20 IICD C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](OC1CCOCC1)c1ccccc1 747419983 NUGKAYJWBSHXHE-VQIMIIECSA-N 435.615 4.250 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 748728757 XFTNUHOEKVOELU-UHFFFAOYSA-N 447.436 4.346 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cc(C)n(-c2ccccn2)c1C 749635808 JPZMOXFQWATRRC-UHFFFAOYSA-N 435.549 4.206 10 20 IICD COc1cc(CN2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)cc(OC)c1OC 749970049 YJOSSMROVJLYRH-UHFFFAOYSA-N 428.573 4.168 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3ccnc3S)cc2)cc1 751404569 HMFWCCOGOQMKBH-JOCHJYFZSA-N 436.581 4.048 10 20 IICD CCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756514350 FUZDLLSUVUCILI-KKSFZXQISA-N 426.517 4.359 10 20 IICD O=C(CCc1nnc(C2CCCC2)o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 760499539 NBFTYRYWVXJNMK-UHFFFAOYSA-N 434.487 4.046 10 20 IICD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCCSc1nccs1 764244289 UBJBJPBCFMNPBT-UHFFFAOYSA-N 437.388 4.312 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@]3(C)NC(=O)OC(C)(C)C)CC2)cc1 765761058 QRORLQCDRDSRBH-OFVILXPXSA-N 445.604 4.254 10 20 IICD Cc1cc(Cl)ccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 766411381 BPLUJVAVJZJSEJ-UHFFFAOYSA-N 425.939 4.194 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c2ncccc12 766495060 JFRXJYNIACLCCX-UHFFFAOYSA-N 448.432 4.346 10 20 IICD CCOC(=O)c1c(NC(=O)CCN(C)Cc2nccn2C)sc(C)c1-c1ccccc1 767548754 IDTUBAVQMAYNFO-UHFFFAOYSA-N 440.569 4.094 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1-c1ccc(F)cc1 768914990 HNIRMLNQAVSJJU-LJQANCHMSA-N 442.922 4.073 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCN(c3ncccn3)CC2)cc1 772059617 HYLPVTBNUHINHZ-UHFFFAOYSA-N 429.528 4.357 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)cc2F)CC1 772425989 GATUIXUASMIZKK-UHFFFAOYSA-N 446.477 4.103 10 20 IICD O=C(COc1ccc(NC2CCCCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 772897741 RMXFICIHFZDVID-UHFFFAOYSA-N 441.547 4.102 10 20 IICD C[C@@](O)(CCNCc1cc(Br)cc(Br)c1O)c1ccccc1 779226488 SHQCFQOYXUJUFL-QGZVFWFLSA-N 429.152 4.305 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 793167425 LSXCFQTVNRJZMN-GOTSBHOMSA-N 444.535 4.207 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c(Br)c1 794679707 IKMQAXMKCHYSGV-AUWJEWJLSA-N 437.340 4.267 10 20 IICD C[C@H](NC(=O)NCc1ccncc1OCCC(C)(C)C)c1ccc(N2CCOCC2)cc1 806542528 UVQCNBCWAZYUQV-IBGZPJMESA-N 440.588 4.294 10 20 IICD COC(=O)c1cccc(NC2CCN(Cc3cc(Br)cc(OC)c3O)CC2)c1 809755854 QLQZQBHCMMBRQP-UHFFFAOYSA-N 449.345 4.026 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1O 811704165 AWTGURGPQQAQGP-UHFFFAOYSA-N 436.274 4.159 10 20 IICD COCc1nc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cs1 812264249 FWHRKVLQSRZSKJ-UHFFFAOYSA-N 434.359 4.390 10 20 IICD CCC[C@H](C)C(=O)NCCN[C@H](C)c1cc(Br)cc(Br)c1O 815632382 KZWUTBFZBKMKBT-WDEREUQCSA-N 436.188 4.120 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916218118 JIOHNKLEVUBVSD-QHCPKHFHSA-N 448.567 4.145 10 20 IICD O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)N(Cc1ccco1)Cc1ccccc1O 916686764 MSNDKRKIJBUYMV-UHFFFAOYSA-N 429.476 4.430 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21 917310219 NZMQFUDXAGLURH-UHFFFAOYSA-N 432.545 4.346 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(=O)N1CCc2sccc2C1 917628547 OPFLICBCLZXXMI-UHFFFAOYSA-N 425.598 4.062 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2c(c1)CC(=O)N2 918273517 RFBKSRQUDYYMOD-HNNXBMFYSA-N 427.464 4.413 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(-c2ccccc2F)n1 920455011 QTXILUSQKXPXKB-UHFFFAOYSA-N 425.529 4.088 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncc(Cl)s2)c(C)n1-c1ccc2c(c1)OCCO2 1116878501 VBRUINGXXNEGJW-UHFFFAOYSA-N 432.885 4.015 10 20 IICD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCCC1 1821290709 AIEAZIGGMQJMGZ-MRXNPFEDSA-N 446.935 4.361 10 20 IICD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CCC1 1823709872 QDQOVNMXGDEIHE-SFHVURJKSA-N 434.964 4.175 10 20 IICD Cn1cc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c(-c2ccc([N+](=O)[O-])cc2)n1 63277267 JECCKYVESIPFJK-UVTDQMKNSA-N 433.855 4.303 10 20 IICD O=C(NCc1ccc(N2CCCCCC2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 71928470 NCNFSTDGWPXJPQ-QFIPXVFZSA-N 438.572 4.058 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nc(-c3cccs3)no2)cc1 302768524 LTEIRKGXGIVVFC-IBGZPJMESA-N 440.569 4.005 10 20 IICD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472801957 FFTMTVKQRDSJDW-UHFFFAOYSA-N 441.553 4.103 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(OC)cc3Br)CC2)cc1 727224716 RZNNPYXDZYPLRW-UHFFFAOYSA-N 434.334 4.211 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)cc1C 727247009 SZUAPHNMLSYTTL-UHFFFAOYSA-N 427.555 4.126 10 20 IICD CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc2O1 727384963 VOHZZEYASKROTK-QHCPKHFHSA-N 446.551 4.202 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 727467375 UXKKUKKFXUCUGU-SFHVURJKSA-N 443.510 4.031 10 20 IICD O=C1/C(=C\c2c[nH]nc2-c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(F)cc1 728157199 MGPJJGBJVXATIJ-CAOOACKPSA-N 425.466 4.350 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 728836236 XDUGSPFRVRCGRD-UHFFFAOYSA-N 429.854 4.362 10 20 IICD C[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 729659624 XFGYZHBYBITKAV-CQSZACIVSA-N 426.428 4.209 10 20 IICD CCN1CCN(c2ccc(CNCc3ccccc3OCc3ccncc3)cc2F)CC1 730108040 CNJYJPMZLWKSIT-UHFFFAOYSA-N 434.559 4.231 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1 730385169 QCEXMTADWDEKSI-UHFFFAOYSA-N 448.523 4.423 10 20 IICD CCc1cc(O)nc(-c2ccc(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2)n1 731662100 AIFBJRIRXUAHLL-IYBDPMFKSA-N 437.519 4.171 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@@H]1CCc2ccccc21 732446846 FTZDTEKTQLHHKD-KRWDZBQOSA-N 433.474 4.071 10 20 IICD C[C@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 734937616 ZUIWGYFDSBQXMT-FZEVHQGJSA-N 443.613 4.453 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NC(=O)C2CC2)cc1 742800458 RUQVWTASOHBZQR-GOSISDBHSA-N 429.467 4.035 10 20 IICD COc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 746739135 POACZLIDSDLNSA-CQSZACIVSA-N 434.334 4.177 10 20 IICD O=C(CSCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 752151621 ZHPRIWUPKMSQLO-IBGZPJMESA-N 433.957 4.169 10 20 IICD COc1cccc([C@@H](O)CN[C@H](C)c2cc(Br)cc(Br)c2O)c1 756563799 NDGREKBRRSQWGH-HWPZZCPQSA-N 445.151 4.310 10 20 IICD COc1cc(Br)cc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1O 758578163 BHKJUPGVEHUDKG-CTNGQTDRSA-N 438.337 4.166 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 758717952 KNWDDEGVPZPQNF-OAQYLSRUSA-N 431.483 4.171 10 20 IICD Cc1cc(C(=O)CSc2ncc(C(C)(C)C)s2)c(C)n1[C@@H]1CCS(=O)(=O)C1 759713892 MRRYBFFPQMFGHY-CQSZACIVSA-N 426.629 4.194 10 20 IICD C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1 766163470 LZVGWLAPEQZTCB-OXJNMPFZSA-N 431.939 4.162 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(Br)c1 767887384 VCLYASBIYHBAGB-UHFFFAOYSA-N 432.362 4.240 10 20 IICD O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 769429020 YUKVRCKSEBVQID-UHFFFAOYSA-N 436.449 4.175 10 20 IICD CC1CCC(N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C2CC2)CC1 769728424 PDUVRXAMBKTVOZ-UHFFFAOYSA-N 434.583 4.438 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 775234259 MRRRSDAYBQOGSX-UYAOXDASSA-N 432.609 4.461 10 20 IICD COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C)c(O)c2O)cc1OC 780959347 MROVBXLHVFMBMF-UHFFFAOYSA-N 427.522 4.370 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C1CC1 783315720 HRUZPLFFBIPYKP-QGZVFWFLSA-N 425.577 4.173 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C 784106243 IMWMVKVARPQGLK-UHFFFAOYSA-N 436.556 4.478 10 20 IICD O=C(Oc1ccccc1)N1CCC[C@@H](NCc2ccc(N3CCSCC3)cc2)CC1 788543044 RRQOBMMVEBQIHK-OAQYLSRUSA-N 425.598 4.383 10 20 IICD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)sc2C1 789369683 IHGVIJGYMSWQNB-INIZCTEOSA-N 428.602 4.101 10 20 IICD CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(OCc4ccccc4)cc3O)c2)C1=O 793346152 HKDVWAYQVKPMMZ-JOCHJYFZSA-N 431.492 4.418 10 20 IICD C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1O 798181485 VRNYLGZYLMEVIV-CYBMUJFWSA-N 430.492 4.339 10 20 IICD Cc1noc(C2CC2)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800637308 WIGWSWVDPQRFLN-ZDUSSCGKSA-N 430.936 4.005 10 20 IICD O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)cc21 800925694 VSPQWBPTOQRFTK-UHFFFAOYSA-N 448.909 4.122 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(Cl)n1 800925766 MCHNYBGCQNTFAE-UHFFFAOYSA-N 431.930 4.153 10 20 IICD CCCCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 803297328 RCJFODQHVFIEJD-YKSBVNFPSA-N 437.584 4.138 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)cc2)CC1 805022946 JIEBZSUWQPEGFJ-FYYLOGMGSA-N 437.559 4.131 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 808526948 VQJLBXNCHMJCOK-UHFFFAOYSA-N 429.567 4.320 10 20 IICD CCOC(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 844194342 CUAGNMRLQRKMSF-UHFFFAOYSA-N 438.484 4.452 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc2ccccc2[nH]1 913962243 LYMOBKHBZZRLKH-PTNGSMBKSA-N 428.564 4.245 10 20 IICD COc1cccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914265709 ZVDVGBROKYIUJT-SFQUDFHCSA-N 432.592 4.055 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1 914437221 FKQKIOXLKMLGPO-HXUWFJFHSA-N 439.987 4.449 10 20 IICD CCOC(=O)c1cnn(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2)c1C 915147525 KFAIACAVPRXNKQ-UHFFFAOYSA-N 448.567 4.474 10 20 IICD O=C(NCc1ccnc(OCc2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916397705 LDDCQTJLWFLAIU-QHCPKHFHSA-N 447.535 4.257 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2cnn(C(C)C)c2n1 917715617 RYLDWIQKMDDAQH-IRXDYDNUSA-N 439.535 4.003 10 20 IICD CC(C)c1ccc(CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)cc1 918118898 VXKVXGYYIDNFCW-HSZRJFAPSA-N 448.611 4.386 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1 918309548 JJAPBFCYUALCNI-UHFFFAOYSA-N 432.362 4.201 10 20 IICD CCc1cnc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)s1 1845398787 CXSKDFTUBNKMIB-UHFFFAOYSA-N 448.592 4.244 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Nc2ccccc2F)s1 18244853 HZIWFGRHNHIVMK-UHFFFAOYSA-N 431.562 4.238 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 24208206 SLVDGNYKZCBOHW-UHFFFAOYSA-N 443.613 4.026 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCOc3ccc(Cl)cc3C)CC2)cc1 110462285 PWYBONJQKLLASG-UHFFFAOYSA-N 431.964 4.394 10 20 IICD COc1ccc2oc([C@H](C)NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c(C)c2c1 553629789 OULGOXMXUDEORX-INIZCTEOSA-N 433.508 4.044 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(-c4c(F)cccc4F)n3)CC2)cc1 726143311 AQVPKDDBSFPANG-UHFFFAOYSA-N 429.492 4.449 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1 726563408 KNLZFJSMQDREBE-UHFFFAOYSA-N 435.524 4.278 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(-n4cccn4)c(Cl)c3)CC2)cc1 727590846 HRHVCSHUWDJRAA-UHFFFAOYSA-N 425.920 4.325 10 20 IICD Cc1nc2nc(=S)n(CN(Cc3ccc(N(C)C)cc3)CC(F)(F)F)n2c(C)c1C 728904370 OEJRBLUGWNYSLJ-UHFFFAOYSA-N 438.523 4.274 10 20 IICD CCC(C)(C)N(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 736018472 LAEKNMHHDLJJAR-GXDHUFHOSA-N 441.416 4.297 10 20 IICD Cn1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc2cc(C(F)(F)F)ccc21 742557698 WJNMLMDNQLUUBR-UHFFFAOYSA-N 435.421 4.103 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](Cc4ccccc4)C3)cc2F)C[C@@H](C)O1 743554858 MTPJEPSNWDOLDU-WOIUINJBSA-N 425.548 4.214 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC3CCN(c4ccc(N(C)C)cc4)CC3)cc2)CC1 743599511 FACYDTRVRPJJJL-UHFFFAOYSA-N 449.643 4.457 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1 745267551 LORGNXIMUUSXEH-UHFFFAOYSA-N 438.572 4.441 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)c3c(C)noc3C)c2C)cc1 750258042 AFFCMIFCLXFFKC-CQSZACIVSA-N 438.480 4.015 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1F 750308655 PKETVTSSHZKQGX-UHFFFAOYSA-N 432.499 4.416 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccsc3)CC2)cc1F 753739329 FGAGPNILHGBKNR-UHFFFAOYSA-N 439.512 4.111 10 20 IICD CCN(CCc1nc(-c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cs1)C(C)=O 755379254 BFWQDNFQLLPDOC-UHFFFAOYSA-N 425.554 4.415 10 20 IICD C[C@H](N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O 756415124 KRXIMLDZTKEFBK-UGSOOPFHSA-N 437.418 4.334 10 20 IICD C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O 756758069 DSSWJMUSWBIMJQ-UFBFGSQYSA-N 429.664 4.012 10 20 IICD CC(C)[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)OCCO2 764756852 IKEZSPSPKAHDCE-SFHVURJKSA-N 435.318 4.122 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H]1C[C@H]1c1cccc(Br)c1 764771297 WSSHUUGGXARTKF-ZFWWWQNUSA-N 440.135 4.273 10 20 IICD COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CCC2 765283338 ZUDHCGOAWQIODS-DEOSSOPVSA-N 447.558 4.118 10 20 IICD C[C@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(N2CCOCC2)cc1Cl 765326824 WHIWCHGIKDXEHZ-UXHICEINSA-N 444.019 4.248 10 20 IICD Cc1ccccc1-n1ccnc1SCC(=O)NCc1cccc(Br)c1O 765763528 CSSAOUCQRDUKEF-UHFFFAOYSA-N 432.343 4.057 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccccc1C(=O)c1ccc(Br)cc1 768917733 REBXLNUHKJIOKM-UHFFFAOYSA-N 426.266 4.021 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cc1 772101199 XYZMNMFZUQKPHE-SFHVURJKSA-N 427.508 4.472 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 775437476 CGXMKLGYJQBFCP-APWZRJJASA-N 433.503 4.143 10 20 IICD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(N2CCCC2)cc1 776896226 BJWKKEOACLAJLP-XMGLRAKGSA-N 446.595 4.264 10 20 IICD Cc1nccc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)n1 784057861 GJWBYCFONUADSY-UHFFFAOYSA-N 429.524 4.339 10 20 IICD CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 788931892 KCTXOFXSWFLZMF-UHFFFAOYSA-N 447.501 4.016 10 20 IICD CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(Br)cc(OC)c2O)n1 792195776 FORBKSMTFHDOQO-CQSZACIVSA-N 441.347 4.134 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccnc(OCc2ccccc2)c1 800594885 KVZWJYOOYMZKID-UHFFFAOYSA-N 446.551 4.191 10 20 IICD Cc1cc([C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C2CC2)ccc1F 808841380 NSHRSRAXTBEEDH-XMMPIXPASA-N 437.559 4.350 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 809705613 WGQZWXFNJSOTIR-CYBMUJFWSA-N 447.089 4.197 10 20 IICD Cn1cc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c(C(F)F)n1 812219031 AISPSKCGZSKRDM-BOPFTXTBSA-N 448.564 4.224 10 20 IICD CN(Cc1ccccc1Br)C(=O)CCNCc1ccc2ccccc2c1O 816549430 NUPWCNBKJPZYET-UHFFFAOYSA-N 427.342 4.446 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3occc3CSc3ccccc3)cc2)C1 917832474 ASMXMHGFWGHUIL-IBGZPJMESA-N 449.576 4.204 10 20 IICD CC(C)Oc1ccccc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917851390 SGAFNFBVWQTYEO-UHFFFAOYSA-N 444.443 4.087 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 918184923 TYTBIDFVJFIJNB-UHFFFAOYSA-N 447.377 4.042 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 918657392 BLJKSVNLLVKHPH-UHFFFAOYSA-N 437.613 4.425 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 919568783 MIAOFMNRAJSCCL-HNNXBMFYSA-N 426.494 4.111 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 1322961358 IAQPAOYIORIQCU-UHFFFAOYSA-N 431.945 4.049 10 20 IICD CCOC(=O)c1c(NC(=O)CSc2ncc(-c3ccccc3)n2C)oc(C)c1C(C)=O 18023533 MLCRAUWTHLCMHH-UHFFFAOYSA-N 441.509 4.099 10 20 IICD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 23744710 DVLUQLWQFBPRHR-PMACEKPBSA-N 437.584 4.193 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3sccc3-c3ccccc3)CC2)cc1 24088444 VZGFQFWHCSVKLZ-UHFFFAOYSA-N 435.593 4.366 10 20 IICD CCOc1ncccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 27584290 VCZGECXSIUOYIX-NTCAYCPXSA-N 433.580 4.162 10 20 IICD COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1OC(C)=O 83313702 LLMSYQWWSQYPQM-WQRHYEAKSA-N 429.519 4.031 10 20 IICD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472763496 AVFSZUQLRZVFSV-SFHVURJKSA-N 432.568 4.429 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)n(C)c2ccccc12 472794171 XZTKVHMPTGJNAN-UHFFFAOYSA-N 437.503 4.081 10 20 IICD CC(C)(C)c1cc(CNCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c(C(C)(C)C)c1 726190384 ZMEIFKPCJQOBSM-SANMLTNESA-N 437.584 4.332 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 726565158 CYFYJXOXIOPFMI-UHFFFAOYSA-N 425.819 4.248 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2cc(Cl)ccc2s1 730519497 ZLPKVDGJYWLXSI-UHFFFAOYSA-N 429.973 4.378 10 20 IICD CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3cc(OC)ccc3O)cc2)cc1 734061880 VMAZRFLQRQTUIL-UHFFFAOYSA-N 435.480 4.374 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 734072887 SNEJIQFEBDBBDQ-UHFFFAOYSA-N 426.856 4.101 10 20 IICD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 734809153 FGXUVJWPAIWNBO-JOCHJYFZSA-N 439.556 4.178 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc2F)C[C@@H](C)O1 735679996 CYTWHHNRFOJIFY-YZIUBNRHSA-N 435.584 4.080 10 20 IICD CCc1ccc(NC(=O)c2nnc(CN(C)c3cc(OC)c(OC)c(OC)c3)s2)cc1 741799292 WZPASVRASIVPBX-UHFFFAOYSA-N 442.541 4.015 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3sc4ccccc4c3Cl)CC2)cc1 742927549 UNOGLSUXDGJHQW-UHFFFAOYSA-N 429.973 4.115 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1N1CCCC1=O 743082730 VCYOTRIUQRHIBC-UHFFFAOYSA-N 432.318 4.336 10 20 IICD O=C(Nc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 743185201 NWBQWVRRQMBICY-OAQYLSRUSA-N 427.570 4.159 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 743634614 XGIGEDBKMDDQNY-UHFFFAOYSA-N 430.858 4.040 10 20 IICD Cc1cc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 749444000 YGRHCIRPKVMFFZ-UHFFFAOYSA-N 426.561 4.397 10 20 IICD COc1cc(F)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 758627078 OTCAHIZCFLCVLH-UHFFFAOYSA-N 427.398 4.365 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2nnc(S)o2)cc1 759902392 RNVRESKZMLZYDG-OAHLLOKOSA-N 446.479 4.026 10 20 IICD COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 766237994 NUIWWVKTWDUYTL-FUHWJXTLSA-N 433.499 4.272 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 772691324 JWDFCAVSGMSQHT-QFIPXVFZSA-N 435.572 4.495 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 773747663 CQEVTHPKPOOFJC-LLVKDONJSA-N 434.279 4.348 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 775234253 MRRRSDAYBQOGSX-AZUAARDMSA-N 432.609 4.461 10 20 IICD C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N2CCCCC2)c(F)c1 775578365 WBQNILMZNSNGIQ-QGZVFWFLSA-N 449.567 4.346 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21 775771233 UWRJCHZDAZKHJE-JOCHJYFZSA-N 443.975 4.262 10 20 IICD COC(=O)c1ccc(-c2ccc(CNCc3ccc(N4CCC(CO)CC4)cc3)o2)cc1 775951778 OQRWIWFHSBCEAY-UHFFFAOYSA-N 434.536 4.232 10 20 IICD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 776064202 ADTRSFIBFNCOIK-JOCHJYFZSA-N 449.551 4.295 10 20 IICD CN(Cc1ccccc1Br)C(=O)CCNCc1cc(Cl)cc(F)c1O 776175362 ZSECDKPPEAURFG-UHFFFAOYSA-N 429.717 4.086 10 20 IICD C[C@@H](NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 778627047 OVJQFZRBMAQEOI-UTKZUKDTSA-N 435.490 4.447 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-n2cccn2)cc1)c1ccc(N)cc1 783486546 ODPWRICVQXWPMN-SFHVURJKSA-N 425.492 4.187 10 20 IICD O=C(NCc1ccccc1N1CCCCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 788311412 UZUUJCLGAMICRE-UHFFFAOYSA-N 449.595 4.360 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 789371393 YQSUMTPENIOXRX-CMKODMSKSA-N 440.613 4.490 10 20 IICD COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 790318821 LTGWPLFLBVSHSX-UHFFFAOYSA-N 438.616 4.205 10 20 IICD Cc1cc(C(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 794871809 SKGSGJRGUBAFSY-FVQHAEBGSA-N 426.866 4.119 10 20 IICD C[C@H](NCc1ccncc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 798939504 OPIJBAPFJKFSBP-AWEZNQCLSA-N 429.870 4.364 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802759427 LHMOXNDMCABWOJ-YADHBBJMSA-N 449.599 4.252 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](CC1CC1)c1ccccc1 806295810 UCOPFFXUERUNKL-LJQANCHMSA-N 445.357 4.161 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 810351519 NHFQNPPYWKVIJD-UHFFFAOYSA-N 433.556 4.049 10 20 IICD Cn1cc(Br)c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 814600859 AOLIWMUVTBETMA-UHFFFAOYSA-N 442.273 4.394 10 20 IICD Cc1nc(COc2ccccc2C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)no1 823671663 RNNNWODWSWLGSF-UHFFFAOYSA-N 430.508 4.337 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C2CC2)cc1 914439612 LBOADLICGCFSCE-UHFFFAOYSA-N 449.576 4.358 10 20 IICD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(N2CCSCC2)cc1 917385604 DIEMUHRGFNBFEC-UHFFFAOYSA-N 441.000 4.376 10 20 IICD CCCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 918039129 YQIZWNJUJIVDEZ-KRWDZBQOSA-N 444.963 4.152 10 20 IICD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918210431 VQNOEZXJIMBEHI-QFIPXVFZSA-N 425.573 4.310 10 20 IICD O=C(C1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830734633 AMASUBNYXAPQLJ-LJQANCHMSA-N 434.964 4.175 10 20 IICD Cc1ccoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737212 LGRHHGACIOVZHB-GOSISDBHSA-N 446.931 4.200 10 20 IICD c1ccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3)c(-c3cccnc3)n2)cc1 236623763 SPPYSSKSHAHCMQ-UHFFFAOYSA-N 425.536 4.061 10 20 IICD CN(C)c1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 237131935 VOCYQYDIMPUZRU-QHCPKHFHSA-N 430.520 4.314 10 20 IICD Cc1c(Br)cccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303126541 HCHMXZSZFLMLBH-UHFFFAOYSA-N 432.362 4.288 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cccc4ccccc34)cc2F)CC1 303313057 POHWLICUABWMEB-UHFFFAOYSA-N 434.559 4.462 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CCc3nc(-c4ccccc4)no3)ccc21 570589656 RDOVWEFRBAJZNS-UHFFFAOYSA-N 432.524 4.269 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)c1 726627555 RRJVLYVXKAZBBM-HEHNFIMWSA-N 442.606 4.440 10 20 IICD CN(C)CCN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726721732 HNGCXQBSSZVWBE-UHFFFAOYSA-N 446.542 4.030 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(F)ccc1N1CCCCC1 727030017 KIFKWQICWAMTTG-UHFFFAOYSA-N 444.526 4.238 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)ccc3OC)ccc21 728637288 IOAONEVGHXEAAD-SFHVURJKSA-N 438.524 4.406 10 20 IICD CCOc1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C(C)C)cc1 729052064 ZDYAPIHYVNOBHT-UHFFFAOYSA-N 443.563 4.306 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 729346447 VYGSHJPDYXUUCE-OAQYLSRUSA-N 444.000 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)CC1 731016781 YQQZAXHDQZVYHT-JOCHJYFZSA-N 425.960 4.246 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccc(=O)n(CC)n2)sc(C)c1-c1ccc(C)cc1 731964263 XRMOTUKQRAVICS-UHFFFAOYSA-N 425.510 4.038 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 741097371 PCLDBBPYRQCWGA-UHFFFAOYSA-N 431.467 4.249 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccccc2F)on1 742802242 WRBHTNRDZIBHDZ-AWEZNQCLSA-N 431.414 4.481 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)N[C@@H]1CCc2ccccc2C1 742988928 YIUMRVZJROFPKH-LJQANCHMSA-N 449.542 4.064 10 20 IICD COc1cc(NC(=O)CCSc2ncc(-c3ccccc3)n2C)cc(OC)c1OC 743256264 MTJLNUHACGUPCM-UHFFFAOYSA-N 427.526 4.234 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCOc2ccc(F)cc21 745811933 HWTWONASWJROEW-KXBFYZLASA-N 435.446 4.219 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC2CCC2)c(F)c1 748947617 BCXFMTAKQYGFDB-UHFFFAOYSA-N 427.520 4.287 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c(F)cc1F 749010440 NDGWHBCMAVSKJH-UHFFFAOYSA-N 449.504 4.324 10 20 IICD O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751120324 GISILRFHAMRVFX-SFHVURJKSA-N 430.353 4.210 10 20 IICD COc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 752709940 NCTPVZQVYCDIDV-UHFFFAOYSA-N 425.529 4.469 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 757661428 BQICYDLRSGZUON-OAHLLOKOSA-N 444.532 4.120 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3ccccc3CCC(F)(F)F)CC2)cc1 758146760 ZZZFSZRVSHDQPL-UHFFFAOYSA-N 449.517 4.132 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3cc(Br)ccc3F)CC2)cc1 758971669 XFZQKFRHBHACDT-UHFFFAOYSA-N 435.337 4.315 10 20 IICD CC(=O)Nc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(C(F)(F)F)c1 761565302 SRAMNYZKALNTEK-LJQANCHMSA-N 436.430 4.191 10 20 IICD COc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)ccc1OCC(F)(F)F 764418517 TXGQPNXBTYOQQD-AUWJEWJLSA-N 430.429 4.026 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCc1ccccc1Br 764630556 SNJHFZUADISHJJ-UHFFFAOYSA-N 431.374 4.267 10 20 IICD O=C(NCc1cccc(Br)c1O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 765755510 JELBWMCRRWTICN-UHFFFAOYSA-N 434.271 4.116 10 20 IICD C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 769957973 BPWNSRKCMRASOH-PMACEKPBSA-N 435.568 4.029 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 771778439 PWSUDHQMWXWQRF-UHFFFAOYSA-N 430.306 4.004 10 20 IICD Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 773207638 DBESXCJUVRAITF-UHFFFAOYSA-N 431.448 4.116 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 773742619 XQRYRYLJQPLBEN-WDEREUQCSA-N 428.710 4.028 10 20 IICD COc1ccc(O)c(CN2CCC(Oc3ccccc3I)CC2)c1 775733797 IIEZDCDATXAOJG-UHFFFAOYSA-N 439.293 4.049 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 775820484 UVTGUDDXZQZUGU-UHFFFAOYSA-N 443.960 4.359 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 788799108 RRCYRQBYBLKJCC-OAQYLSRUSA-N 439.556 4.131 10 20 IICD COc1cc(Cl)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1OC 790478277 NGYQATOKHCIBPM-UHFFFAOYSA-N 438.914 4.174 10 20 IICD CN1CCN(C[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)c2ccccc2)CC1 796280956 UVMRJHIFJPFEML-NDEPHWFRSA-N 440.635 4.328 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1ccccc1Br 798849410 BJFNGZJUWJDUMS-UHFFFAOYSA-N 431.374 4.222 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H](NC(N)=O)c3cccs3)cc2Cl)C1 800344075 MMMYZVHNNNFNSK-WMLDXEAASA-N 434.993 4.054 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(C)c(OC)c1 800628145 UOAYEULPFBBZGA-QGZVFWFLSA-N 433.508 4.327 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 802610382 WUCQCAMNFGFYHL-UHFFFAOYSA-N 444.535 4.075 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCC1CCOCC1 814439783 VECXPAPEMMIPKY-SSZFMOIBSA-N 425.597 4.089 10 20 IICD COC1(CCOC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 815186247 MSAOKKMGXRYESH-SQFISAMPSA-N 425.597 4.232 10 20 IICD COc1ccc([C@@H](NCc2cc(Cl)c(F)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 816553956 LBJQTAHQXGGAAU-JOCHJYFZSA-N 449.931 4.476 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1OC 914577486 NUNZJIYHHOHQAC-UHFFFAOYSA-N 438.502 4.084 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(OC(F)F)cc1 916631915 MRMKJDURTQTUAW-UHFFFAOYSA-N 445.388 4.465 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 916670930 VYAKZAOBJWVQSH-UHFFFAOYSA-N 441.503 4.150 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cl)c3N(C)C)cc2F)C[C@@H](C)O1 916682250 IDLYAYKFPCDOIN-GASCZTMLSA-N 434.943 4.480 10 20 IICD Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 917384151 VEEUFJURMQZCNG-QHCPKHFHSA-N 439.625 4.009 10 20 IICD CC(=O)N1CCc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)ccc21 919652539 JDCQUUCFPUJWLD-UHFFFAOYSA-N 432.524 4.489 10 20 IICD Fc1cc(CNc2nnc(-c3ccccc3)s2)ccc1N1CCN(c2ncccn2)CC1 919723702 UMTBDPPDWONUNQ-UHFFFAOYSA-N 447.543 4.073 10 20 IICD CCN(Cc1c(O)ccc2ccc(O)c(CN(CC)C[C@H]3CCCO3)c12)C[C@@H]1CCCO1 919946052 XQVZFCWEINJDAM-OYRHEFFESA-N 442.600 4.253 10 20 IICD C[C@H](NC(=S)NCCSc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920864239 ONAGCHDLOUQIAQ-INIZCTEOSA-N 436.046 4.494 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)o1 1317786098 ABHOYHUQALFLSA-OAHLLOKOSA-N 442.899 4.405 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2c(F)cc(F)cc2OC)n1 1318628186 DMODLTCUZHJFJZ-UHFFFAOYSA-N 430.429 4.045 10 20 IICD C[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 1319766847 HQWNYCOBUVSIST-QUCCMNQESA-N 427.976 4.132 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccn(-c3ccncc3)n2)cc1 1320819894 OZIRXKYXBCPZGE-UHFFFAOYSA-N 427.508 4.189 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCC1 1321112499 YWQPDEYCTVHMTR-HDICACEKSA-N 426.532 4.186 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1 1326432304 OQTNDNGRHXHHGH-QGZVFWFLSA-N 430.508 4.302 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCc2nnc(-c3ccccc3)o2)cc1 116582463 YVHUBIUSWOTAPB-HSZRJFAPSA-N 448.567 4.333 10 20 IICD Cc1c(CNC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n(C)c2ccccc12 472283860 JNWYSUMIYNQGGH-INIZCTEOSA-N 438.959 4.432 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)ccc21 728512893 MCCNGFFAYGGGDT-UHFFFAOYSA-N 427.932 4.269 10 20 IICD COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1O 729858781 BYVMYXUDVFGJEY-XMSQKQJNSA-N 436.533 4.181 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(C)cc4)c4c3CCCC4)CC2)cc1 730968768 SCLILWOKMIYCPG-UHFFFAOYSA-N 444.579 4.467 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)cc1 731183839 VWXNHVSRJFKCMO-SXOMAYOGSA-N 443.591 4.280 10 20 IICD Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC1CCOCC1 738959978 LKNJBFHTUHLNBJ-IBGZPJMESA-N 439.556 4.272 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)c2)CC1 739599914 YHYXXZUDBBRIAV-UHFFFAOYSA-N 445.560 4.099 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)Nc1ccccc1 741214712 ZUEBJFZENJKFRC-UHFFFAOYSA-N 444.535 4.406 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)COc2ccc(C=O)cc2Br)cc1 742497777 JUCSELRFUKHKKR-UHFFFAOYSA-N 433.346 4.145 10 20 IICD C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745646573 FBDORBNJHSATLY-QMHKHESXSA-N 429.511 4.219 10 20 IICD Cc1cnc([C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)s1 745865818 AGGYBTAPMPKEPR-YJBOKZPZSA-N 436.528 4.472 10 20 IICD CC(C)(C)c1cnc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1 746624562 BSKWMZIHTSSWHY-UVTDQMKNSA-N 449.623 4.331 10 20 IICD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)Cc1ccccc1O 747934029 ASNHMBGDOATQDL-UHFFFAOYSA-N 428.330 4.289 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3sc(C(=O)OC)cc3OC)n2)cc1 749007034 AAGJYLWIFWOQTC-UHFFFAOYSA-N 438.552 4.030 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2c(c1)C(=O)CCC2 750627521 OHSMJMXAYDAZIJ-UHFFFAOYSA-N 447.457 4.383 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 750861851 JMWKSHRWHOXYER-SFHVURJKSA-N 430.570 4.008 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1 756319777 PIMQSTHPSANVGH-UHFFFAOYSA-N 435.524 4.108 10 20 IICD C[C@@H]1C[C@@H](NCc2ccc(Br)cc2N2CCOCC2)c2c(O)ccc(F)c21 756759539 MLOSNHJALVAJKJ-CXAGYDPISA-N 435.337 4.469 10 20 IICD COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 757297151 YXXMPXBHMZJNKL-OAQYLSRUSA-N 443.507 4.444 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)cc1 762637696 VRZSNSQJAXTTLQ-UHFFFAOYSA-N 439.890 4.385 10 20 IICD C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(Br)cc1 764758780 UWMPUCRSTLDEKZ-SNVBAGLBSA-N 428.124 4.478 10 20 IICD C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 765987392 JRFRCMPYDMKNSJ-QZTJIDSGSA-N 445.554 4.174 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cc5ccccc5o4)cs3)ccc21 767673688 BNWCJADZEYOFRT-UHFFFAOYSA-N 441.490 4.285 10 20 IICD CCOc1ccc([C@@H](C)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1[N+](=O)[O-] 768105988 OXJPZOOXVDAWDM-QGZVFWFLSA-N 430.524 4.125 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1 770256336 DTYCDKDUTWLYRD-UHFFFAOYSA-N 441.535 4.127 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)N(C)C)cc1OC 772949935 ZNXBXKBFRGMVNW-VGSWGCGISA-N 448.007 4.147 10 20 IICD C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 772999580 MZXMPHDLLPEOHH-QFIPXVFZSA-N 434.628 4.353 10 20 IICD CC(C)C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)Nc1nccs1 773151071 PQUYEBHWOLKLDH-DNVCBOLYSA-N 437.009 4.337 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 775178991 YDPMPBONRXXTEU-UHFFFAOYSA-N 448.483 4.042 10 20 IICD COc1ccc(Cl)cc1N1C(=O)/C(=C\c2cc(Br)nn2C)SC1=S 779220665 GGPUJFAFLONJHD-WUXMJOGZSA-N 444.763 4.250 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 791249089 CEDIFRKWIZTUPK-SFHVURJKSA-N 440.540 4.045 10 20 IICD CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 793796889 NDDLMSKPAXHXII-GFCCVEGCSA-N 445.313 4.439 10 20 IICD Cc1c(NCc2ccc3c(c2)CCN3Cc2ccccc2)cccc1N1C(=O)CNC1=O 796364695 WWHSIRQSQMOYNH-UHFFFAOYSA-N 426.520 4.226 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c2cccnc12 802610111 UTPBKNMBYJVAPA-UHFFFAOYSA-N 443.450 4.309 10 20 IICD O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 804967498 VRBIWIUKTMRSJW-JOCHJYFZSA-N 428.577 4.020 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)nc1 807511881 ZJWKLRJUWWXXMM-UHFFFAOYSA-N 446.290 4.450 10 20 IICD COc1cccc(-n2ccnc2SCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 807837535 ULWVIEFGLIAQMJ-UHFFFAOYSA-N 438.336 4.302 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)c(F)cc1N1CCCCC1 810311505 VIEYPVYFQOFEGD-UHFFFAOYSA-N 430.499 4.113 10 20 IICD C[C@H](NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(N(C)C)cc1 811905408 CVMYYZUSIIPKGP-GHTZIAJQSA-N 444.620 4.492 10 20 IICD C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Br)c1O 813779347 OGIONLRTMRGPBO-ZDUSSCGKSA-N 444.370 4.037 10 20 IICD CC(C)NC(=O)NC(=O)[C@@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772270 RSGXZWDKCLHSRC-SHLUWWQESA-N 433.580 4.228 10 20 IICD O=C1N=C(SCc2nnn(CC(F)(F)F)n2)S/C1=C/c1csc2ccccc12 814772331 TWMXTTVBBNFLDY-LFYBBSHMSA-N 441.485 4.354 10 20 IICD Cn1cc(N2CC[C@H](SC3=NC(=O)/C(=C/c4csc5ccccc45)S3)C2=O)cn1 814773478 SVHIUYXMBNZIJJ-PDEJURLFSA-N 440.575 4.144 10 20 IICD Cc1c(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cccc1-c1ncco1 815332713 GFSWJBOXWCFTGH-UHFFFAOYSA-N 442.519 4.355 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)cc1 872016346 IWCSACPVCVLTLA-UHFFFAOYSA-N 446.507 4.178 10 20 IICD COc1cccc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914333576 HIHMLAIEBDPBQB-AQTBWJFISA-N 446.619 4.397 10 20 IICD COCc1ccccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914507681 QJKYGTNULMZKAQ-PDGQHHTCSA-N 446.619 4.192 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1C(N)=O 914791293 NIPDGKWAJRSALG-UHFFFAOYSA-N 441.456 4.037 10 20 IICD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 915748213 BYNXQCKWXHETDC-UHFFFAOYSA-N 446.551 4.048 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2)cc1 918030768 YASHSDKQWYKLBD-UHFFFAOYSA-N 442.947 4.220 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1=Cc2cc(Br)ccc2OC1 918617193 LANFTLLFIDXEHX-UHFFFAOYSA-N 445.382 4.095 10 20 IICD Cc1ccc(CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(C)C)s1 920091339 RGELFJHBOWZWRE-QZTJIDSGSA-N 447.620 4.336 10 20 IICD Cc1c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 1340222522 SJUYUQFCULGKCW-UHFFFAOYSA-N 434.558 4.006 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 108290457 WSKKTDOOUCVLAQ-IAGOWNOFSA-N 439.556 4.422 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4ccc(Br)cc4[nH]3)CC2)cc1 108578446 QNAPCGYLLBJRAB-UHFFFAOYSA-N 428.330 4.292 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cc2F)CC1 303257816 CHIUKXMSKCCKSR-IBGZPJMESA-N 437.481 4.320 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 608250313 PEXRLRXNWFTRBB-UHFFFAOYSA-N 426.520 4.119 10 20 IICD CC(=O)N1CCN(Cc2nc(-c3cc(C)n(-c4ccc5c(c4)CCC5)c3C)cs2)CC1 725840803 MYQNMYMELZSRPX-UHFFFAOYSA-N 434.609 4.370 10 20 IICD O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1CCc1ccccn1 726196257 KJKUZWIRLNKAEW-XNTDXEJSSA-N 437.449 4.035 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)c(OC)c3)SC2=S)cn1 726197240 OPIBJEUXWYLCDZ-CHHVJCJISA-N 443.472 4.259 10 20 IICD CC(C)(C)OC(=O)N1CCC(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 726263866 ODIBFPIIZWFWMG-UHFFFAOYSA-N 443.544 4.344 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc1 726288408 FLLXMTLPPUBNRT-UHFFFAOYSA-N 438.355 4.445 10 20 IICD CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 726315908 PZAAOOJXYZGFJK-GOSISDBHSA-N 435.528 4.051 10 20 IICD COc1ccc(N2CCC(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)CC2)cc1 726562932 QNKDVKVOBUCTSE-UHFFFAOYSA-N 441.616 4.036 10 20 IICD Cc1cnc2c(S(=O)(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cccc2c1 726600692 HZXBULVNKDLSJI-UHFFFAOYSA-N 447.507 4.092 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=Cc2ccccc2CC1 726603209 FBFWEZVMXOIWNH-UHFFFAOYSA-N 434.508 4.164 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCCC[C@H]1Cc1ccccc1 728308092 HESBEJSKQPVTFZ-AHWVRZQESA-N 435.612 4.496 10 20 IICD COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 728408558 ANFYPCFKASSQJZ-FQEVSTJZSA-N 430.464 4.169 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1 730031273 LWMREJDEUIEXSR-LBPRGKRZSA-N 430.302 4.148 10 20 IICD CCCCN(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 731049646 IDSKVJFYBRKKIV-UHFFFAOYSA-N 428.621 4.103 10 20 IICD CCCCN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731131244 IABPTWANTLVGJY-UHFFFAOYSA-N 436.600 4.414 10 20 IICD CCc1nc(CN2CCC(CNC(=O)N(CC)Cc3ccc(N(C)C)cc3)CC2)cs1 732470488 IGRCZDBHJXCKHZ-UHFFFAOYSA-N 443.661 4.215 10 20 IICD CC(=O)Nc1cccc(F)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 734200454 UNAKECHNBVCUTK-UHFFFAOYSA-N 426.419 4.370 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 735573114 JEHITUUNEAUCAQ-UHFFFAOYSA-N 444.507 4.331 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(Br)ccc1F 737116356 CMKYDYLHRIXXAI-UHFFFAOYSA-N 448.336 4.176 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 740920133 TZJKKZUIKKOAEG-NRFANRHFSA-N 444.501 4.155 10 20 IICD COC(C)(C)C[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 741971759 ONZJLMMFFHEFAB-WZMONFQBSA-N 426.629 4.049 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CCc2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1 742754555 QCKRMPHOVVZOHP-NRFANRHFSA-N 429.536 4.207 10 20 IICD Cc1nc2cc(F)cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2nc1C 742804818 BPVUOBMGUBYHRO-MRXNPFEDSA-N 444.457 4.386 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc2c(cc1Br)OCCO2 743076485 YZPYJNRYCSZZAI-UHFFFAOYSA-N 433.302 4.126 10 20 IICD O=C(Nc1cccnc1N1CCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743097044 GLJOAQBOKIJARF-INIZCTEOSA-N 431.487 4.074 10 20 IICD COc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743579601 RHOUXMOULHBKJP-BEFAXECRSA-N 447.482 4.088 10 20 IICD Cc1cc(CC(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 747873291 FBINXPLQLCZHCP-UHFFFAOYSA-N 429.992 4.443 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1 752723473 YKKKLZMBRMZUIF-UHFFFAOYSA-N 425.573 4.445 10 20 IICD O=C(COc1cccc(NC(=O)NCCCSc2nccs2)c1)Nc1ccccc1 753942858 HSLOQOJKZBTDMG-UHFFFAOYSA-N 442.566 4.465 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)c3ncccc3OCC(F)(F)F)ccc21 754550859 SGZRPQOHEMNOCC-UHFFFAOYSA-N 426.350 4.050 10 20 IICD Cc1c(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C 758594772 VJNWRCBBBDDDKL-UHFFFAOYSA-N 445.466 4.096 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cnccc1-c1ccccc1 760201678 XKFKPFHBNBKVHV-UHFFFAOYSA-N 428.536 4.336 10 20 IICD C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O 761162761 WQHZLTBCZRUUNE-VBKZILBWSA-N 448.350 4.054 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(OCCN(C)C)cc1 765117483 GDFZFHOOTYXKPT-AQNXPRMDSA-N 429.580 4.231 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@@]3(C)NC(=O)OC(C)(C)C)CC2)cc1 765761060 QRORLQCDRDSRBH-SQJMNOBHSA-N 445.604 4.254 10 20 IICD O=C(Nc1cccnc1OCC(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 766506379 OARKDSKRDMTXQL-UHFFFAOYSA-N 442.413 4.117 10 20 IICD O=C1/C(=C/c2ccc(OC(F)F)c(Br)c2)NC(=S)N1Cc1ccccc1 768269925 YNMJLWNVHLLHII-ZROIWOOFSA-N 439.281 4.308 10 20 IICD Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768914675 GEGRTVYECQOBFA-GOSISDBHSA-N 445.972 4.394 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4cc(OC)ccc4nc3Cl)CC2)cc1 770410632 LTKQDVWTZAIWTL-UHFFFAOYSA-N 425.916 4.258 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)ccc1OCCC(C)C 781045722 OQUJTBUWCLLGRO-UHFFFAOYSA-N 439.556 4.041 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 782785912 FTHFEVAVUSZWMS-UHFFFAOYSA-N 426.561 4.296 10 20 IICD Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc21 782895744 IELPMQFMEFPCFM-UHFFFAOYSA-N 446.551 4.456 10 20 IICD Cc1ccccc1-n1nccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783484359 BMOVYBQGMYHWDO-IBGZPJMESA-N 439.519 4.496 10 20 IICD COc1cc(OC)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1Cl 784059676 QNLDRXSFSBPGTP-UHFFFAOYSA-N 431.920 4.244 10 20 IICD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2O1 785980833 PJFGVVWQVABZAF-VWLOTQADSA-N 437.540 4.171 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1Sc1ccccc1 788931960 KYBAJFJOJKYGPH-UHFFFAOYSA-N 445.588 4.371 10 20 IICD Cc1ccn(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc2)n1 793044016 XRKFIKFFHYSGST-LJQANCHMSA-N 439.519 4.496 10 20 IICD O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 802839868 PAHZOLAXZDVKKP-HXUWFJFHSA-N 445.441 4.418 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 805001694 QHQHXILHKHUYOZ-LLVKDONJSA-N 430.282 4.303 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)C[C@@H](C)O1 806205665 FMDOKKUVOUOZCO-TXEJJXNPSA-N 425.316 4.029 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 807574019 DJYVBNDRHJIPNH-QGZVFWFLSA-N 429.483 4.037 10 20 IICD COCCOCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 808237945 LXTITEPJGYTPKB-UHFFFAOYSA-N 431.916 4.222 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3cccnc3)cc2)C2CC2)cc1 808921163 NXILPAJRGSHTBL-UHFFFAOYSA-N 430.508 4.070 10 20 IICD Cc1ncsc1/C=C/C(=O)N1CCN(C(=O)/C=C/c2scnc2C)c2ccccc21 809239344 VTZZMYGOVMXMOW-FIFLTTCUSA-N 436.562 4.323 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC(=O)NCc1ccccc1 821684442 YYSYWCNGPUJXLU-UHFFFAOYSA-N 446.532 4.310 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(C)n(-c2ccccc2C)c1C 824697203 ZZCSSBQRYURYGN-UHFFFAOYSA-N 446.551 4.462 10 20 IICD Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cs1 915848402 OGZRYDKICUXRMV-UHFFFAOYSA-N 440.569 4.343 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)Cn1ccccc1=O 916438606 SBNUVAGSBVYJFX-IBGZPJMESA-N 429.442 4.160 10 20 IICD C[C@H]1CN(c2ccc(CNC(=S)NCCSc3ccccc3)cc2F)C[C@H](C)O1 917581329 VJCJMWXPOGBJJL-IRXDYDNUSA-N 433.618 4.196 10 20 IICD Cc1cccc(-c2nc(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cs2)c1 919968678 NVWXLRFLVWLMKW-UHFFFAOYSA-N 435.593 4.186 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 920872813 IXXSCCDMOGSMGW-MRXNPFEDSA-N 444.963 4.199 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1nc(Cc2ccccc2)no1 1346884168 HLMZAQZQGYXEPQ-UHFFFAOYSA-N 433.556 4.035 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C)CCCC2)CCO3)cc1 1781752441 ORODJQUNAMZOJF-HHHXNRCGSA-N 449.595 4.118 10 20 IICD Cc1cccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800512961 QLGRUYGUOYHKGB-VILGAWFOSA-N 442.563 4.363 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)C(C)C)[C@H]2c2cccnc2)cc1 1811264952 SLZQPRMHULGCIW-NOZRDPDXSA-N 444.579 4.465 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](C)c2ccccn2)C3)cc1 1845399212 BSJNBWBLJWZHFS-NRFANRHFSA-N 442.563 4.110 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)NC1CCCCC1 10732550 LBYFNOFFNWNWPZ-ZDUSSCGKSA-N 439.895 4.110 10 20 IICD Cc1cc2nn(CN(C)Cc3ccc(N4CCOCC4)cc3)c(=S)n2c2ccccc12 23855253 RMFKBBFRXFMTBL-UHFFFAOYSA-N 433.581 4.253 10 20 IICD Cc1[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)c1C(=O)OC(C)C 57512497 QUDFHSGGFPZYSY-OAQYLSRUSA-N 441.572 4.084 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3ccc(OC)c(Br)c3)CC2)cc1 108427530 LBSSPNCVQDGGOX-UHFFFAOYSA-N 447.373 4.138 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1OC 109100877 OZQDGRYEJOVGDJ-UHFFFAOYSA-N 437.471 4.170 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)CC2)cc1 110422006 FNHLHLPBXDFDJD-HSZRJFAPSA-N 439.556 4.228 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2coc(-c3cccs3)n2)cc1 303243226 CQIYXFOIYCDVGB-HXUWFJFHSA-N 425.554 4.219 10 20 IICD CCc1noc(-c2ccc(CCNC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)cc2)n1 484317996 KCBMFXZHSXORFP-UHFFFAOYSA-N 446.551 4.489 10 20 IICD COCc1cc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c2cc(F)ccc2n1 555157604 IZWMJXOJDBBVIY-UHFFFAOYSA-N 445.494 4.343 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCc1ccccc1 727490707 WFFQMUNODZFYSU-HKWRFOASSA-N 428.554 4.106 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2c(c1)C[C@@H](C)O2 728439391 JHNPMOUHTNEDFB-JDAJCMJVSA-N 427.503 4.123 10 20 IICD Cc1cc(C(=O)COC(=O)C2(C(=O)NC3CC3)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 729713959 YBLRNQURLMRKQQ-UHFFFAOYSA-N 449.334 4.186 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1cccc2cccnc12 731460574 VLPJDJUFFCJMPA-UHFFFAOYSA-N 428.540 4.241 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1F 731684714 IUOQCEIWQFXETC-UHFFFAOYSA-N 445.926 4.417 10 20 IICD Cc1cc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1cccc(C(C)C)c1 732559017 GCKIBJOLJOZPJE-VWLOTQADSA-N 436.644 4.458 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 737117812 UOJKWSPQHBIYTA-UHFFFAOYSA-N 444.579 4.376 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[S@](=O)Cc2ccccc2)cc1 741421131 RYXNPZMQXSOCKA-HKBQPEDESA-N 439.581 4.006 10 20 IICD COc1cccc(-c2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)cs2)c1OC 741737746 XIDRSCWGRVJUTA-UHFFFAOYSA-N 439.581 4.296 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c(nc1O)CCCCC2 742800326 ILHCNVLAJZUEJG-INIZCTEOSA-N 431.483 4.056 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 743181036 OZJFDIGHYRUBFJ-UHFFFAOYSA-N 432.590 4.348 10 20 IICD COc1cc(NC(=O)CCN(Cc2ccc(N(C)C)cc2)C2CC2)c(OC)cc1Cl 743262032 MAEOUHNFSIRHQQ-UHFFFAOYSA-N 431.964 4.416 10 20 IICD C[C@H](NC(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1 743564584 OJKXMNHLQHDLHR-FQEVSTJZSA-N 429.605 4.355 10 20 IICD CCN(CC(=O)N(C)c1nc2ccccc2s1)Cc1cc(Br)ccc1O 744425707 KNKRMZROUYEZNI-UHFFFAOYSA-N 434.359 4.249 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 745868063 JFQUCGSPBALLMS-UHFFFAOYSA-N 437.632 4.408 10 20 IICD Cc1ccccc1CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1 746114875 YQISVEDGDSOMHD-BGYRXZFFSA-N 439.575 4.029 10 20 IICD COc1ccc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CCC2)cc1 750723954 BFHURUMMFWAZAH-ROUUACIJSA-N 426.532 4.186 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 753482485 FPCIZOBUUGSNGA-QGZVFWFLSA-N 439.533 4.027 10 20 IICD CC[C@H](N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1 754324984 UOMGEQOJEYUZFP-KDOFPFPSSA-N 433.533 4.295 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1Cl 757857106 KCVLKCJKACCDIP-UHFFFAOYSA-N 429.826 4.401 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3csc(-c4ccco4)n3)cc2F)C[C@@H](C)O1 763590721 RSFWNBYEGFFVSO-GASCZTMLSA-N 444.532 4.155 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765283287 YSKAYQRLERXGEK-AVRWGWEMSA-N 449.549 4.495 10 20 IICD CC[C@H](NCCCNC(=O)c1cc(OC)ccc1Br)c1ccc(N(C)C)cc1 765883502 GTNYKAIEGBLGTA-NRFANRHFSA-N 448.405 4.385 10 20 IICD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(Br)c1 770257683 QURGCHOALCCCDO-UHFFFAOYSA-N 444.373 4.262 10 20 IICD C[C@H](NCCCc1nc(-c2ccncc2)cs1)c1ccc(N2CCOCC2)c(F)c1 772984744 PBGZYYZLXJFQPV-KRWDZBQOSA-N 426.561 4.464 10 20 IICD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773856540 IZSBMZOCYKQWQH-MRXNPFEDSA-N 440.544 4.224 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 777265264 UWQGXTMKZFDOGE-XMMPIXPASA-N 432.455 4.300 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)N[C@H](C)c1ncn(C)n1 780311613 BVFKTNUERCAXLT-RDTXWAMCSA-N 446.477 4.371 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)c1ccc(N)cc1 783483355 UQYNFMFCLAMRMX-KRWDZBQOSA-N 433.556 4.324 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)C2CCCCC2)cc1 784059224 HJZMFNPIEBOXKJ-UHFFFAOYSA-N 437.931 4.412 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 785542348 ABOUZYGODSCCTQ-UHFFFAOYSA-N 430.479 4.046 10 20 IICD CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)cc(C(F)(F)F)c1 792080672 CQUIFJOQJRJZRC-UHFFFAOYSA-N 441.475 4.320 10 20 IICD COc1cc(Br)cc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)c1O 796365790 ICPFCJHNTFPVKJ-UHFFFAOYSA-N 433.224 4.068 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 797625806 GXSOZRNBGYWVLL-MRXNPFEDSA-N 446.569 4.098 10 20 IICD Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2cccc(Br)c2O)cc1 797759421 ASEYNTFHOLSEDG-QGZVFWFLSA-N 449.345 4.345 10 20 IICD C[C@H](SCC(=O)Nc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 799900000 JGCLCHRKZMNMOH-HNNXBMFYSA-N 444.512 4.161 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 801144359 LXTRPUUUKMUEKQ-QHCPKHFHSA-N 436.531 4.207 10 20 IICD O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 805838498 CSUKJNLPNLDIGP-QGZVFWFLSA-N 430.499 4.073 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)CC)c3)n2)s1 808527906 QUAQAAKNDWITKO-UHFFFAOYSA-N 435.596 4.327 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 818460764 IYTQSGIJGMROEX-QISVVTGGSA-N 432.636 4.234 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC1=S 834697338 IUKOAAIKZRATGK-GFWHJHDHSA-N 435.567 4.091 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(OCc2cccnc2)c1 916688236 SFIWQTNYKIVIMV-UHFFFAOYSA-N 432.524 4.161 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917714353 UUVSBPMPBCXNLW-QZTJIDSGSA-N 444.595 4.158 10 20 IICD CCc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 919390726 OMFSWUZQFAGTSH-UHFFFAOYSA-N 429.423 4.088 10 20 IICD CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccccc3)cc2F)CC1 1115863157 OHRNJKIHIIUTHB-RUZDIDTESA-N 430.527 4.344 10 20 IICD CC(C)(C)OC(=O)Nc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1F 1318920071 ONOOTQJUHRZJKJ-UHFFFAOYSA-N 444.507 4.331 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 18348599 XJRFFTYZMUXQIJ-UHFFFAOYSA-N 449.605 4.470 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCSc1ccc(Cl)cc1 18945383 UCKQQPMCOGHEIQ-UHFFFAOYSA-N 436.046 4.275 10 20 IICD CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCCO2 726567567 QSPLZAOAEYYENC-UHFFFAOYSA-N 446.494 4.122 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 729580381 PZMRRRCHMCFMLR-UHFFFAOYSA-N 429.520 4.418 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NCC1(c2ccccc2Cl)CCOCC1 730024090 BATCCEWMYXOAMU-UHFFFAOYSA-N 427.976 4.488 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C2CC2)cc1 731280750 CPAQSSFXJQHLJW-GOSISDBHSA-N 441.547 4.181 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)c(F)c1 732918668 KQDIRPWSZJOVRT-INIZCTEOSA-N 427.474 4.071 10 20 IICD CN(C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1 733148063 UNVKPUYTLKLBKR-DEDYPNTBSA-N 441.409 4.414 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 734070848 AYLUIWSIOZSIKC-FQEVSTJZSA-N 434.506 4.187 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 734216005 IBNDRHQOXGAMNO-UHFFFAOYSA-N 427.936 4.230 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3c3ccco3)cc2F)CC1 737049040 IHPAKBBQIWRTEX-JOCHJYFZSA-N 428.552 4.388 10 20 IICD COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 738459199 HZDGWAFYRIBCKI-CMKODMSKSA-N 441.547 4.147 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2ccc(Cl)cc2)CCOCC1 740912242 BMRRNQKNJMZCJM-UHFFFAOYSA-N 425.960 4.264 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cc2C[C@@H]1C 741136174 IHIPMICJDRERHC-KRWDZBQOSA-N 427.570 4.165 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)cc2)CC1 742071134 GZKLUNCEWCEAHO-JOCHJYFZSA-N 425.960 4.246 10 20 IICD Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 742798115 JXIVYFWENFNSMP-OAHLLOKOSA-N 428.439 4.045 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 743069168 WNFVTZYGOIVUSA-UHFFFAOYSA-N 445.585 4.319 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C)nn1-c1ccccn1 743081172 YCHLDKYQDPEKSD-UHFFFAOYSA-N 430.306 4.098 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F 743597557 DLWUJLFIUMQZGI-QFIPXVFZSA-N 426.580 4.335 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 743808034 NHVNUZIIOKCCNI-UHFFFAOYSA-N 447.373 4.231 10 20 IICD CCN(CC)c1ccc(CNCc2csc(CNC(=O)c3ccccc3)n2)cc1F 749926811 UFHTVYKYKYMTEY-UHFFFAOYSA-N 426.561 4.348 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H](c2ccccc2F)C1 751068825 XEPRLOVFDKYJIN-CQSZACIVSA-N 446.525 4.023 10 20 IICD CC(=O)Nc1ncccc1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 753715290 YELLKCKUDDIZTC-UHFFFAOYSA-N 427.302 4.462 10 20 IICD C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 754158669 GTKVXPZPQHPKJB-YTSMVRMISA-N 426.536 4.127 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)ccc21 754550492 QZSAMGLZJGWREB-VWLOTQADSA-N 440.480 4.030 10 20 IICD O=C(Nc1ccnc(Oc2ccccc2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 754920109 GFRHLBWCVZDNGJ-UHFFFAOYSA-N 443.459 4.340 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc1F 758163128 NZVKRANPEQKTCE-UHFFFAOYSA-N 428.652 4.079 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)ccc1[N+](=O)[O-] 759159682 MAJKFBCVZQOTHX-UHFFFAOYSA-N 437.524 4.250 10 20 IICD COc1cc(N2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc(OC)c1OC 759878993 QLFLPZNBNLHHII-UHFFFAOYSA-N 443.931 4.343 10 20 IICD Cc1nc(CC(C)C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 761034927 TVULJISJPDNXIF-UHFFFAOYSA-N 428.602 4.237 10 20 IICD COc1cc(Cl)cc(CN2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O 761191925 GBYHHKBNVLFZSN-INIZCTEOSA-N 442.947 4.291 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1Cc2ccccc2C1 762482581 GWGAMCZXEZPLAG-QGOAFFKASA-N 428.604 4.013 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 765638731 OOAQSAUSIXZHBN-MRXNPFEDSA-N 431.964 4.333 10 20 IICD O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N(Cc1ccco1)Cc1ccccc1O 768941118 OUDHZIHPIGJJFM-UHFFFAOYSA-N 433.489 4.276 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2cccc(Br)c2O)C1)Nc1cccc(F)c1 769202397 JPVOICPLVPHJON-AWEZNQCLSA-N 436.325 4.328 10 20 IICD CCC1(CC)CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[S@@]1=O 769268514 LTBMPNQAIBIRQG-PMERELPUSA-N 426.542 4.190 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 772777830 YAFOWXRVKPKRKY-RXHHAWBHSA-N 431.488 4.272 10 20 IICD C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239365 XNIDAZOZOASMEV-HKUYNNGSSA-N 430.593 4.215 10 20 IICD Cc1cc(Br)cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O 776058281 JCNODPKYOZIGFD-HZPDHXFCSA-N 447.373 4.002 10 20 IICD C[C@H](Nc1cc2c(cc1Br)OCCO2)c1ccc(N2CCOCC2)c(F)c1 777710892 ZTQSSYYRBSOMCM-ZDUSSCGKSA-N 437.309 4.369 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(Oc2ncc(Br)cn2)c1 779533836 BQKKJIXFJXYCFN-ALCCZGGFSA-N 428.242 4.095 10 20 IICD CCc1nnc(-c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)o1 782897600 YYDOVJHYZGBBFW-UHFFFAOYSA-N 448.523 4.305 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C2CCCCC2)cc1 784057751 DSNBOTRSPISZCM-UHFFFAOYSA-N 434.309 4.475 10 20 IICD Cc1c(CC(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C 795870414 IWIDGZTUPIUWBU-MRXNPFEDSA-N 445.466 4.095 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc(Cl)ccc3OCC3CC3)cc2)C1 797464832 ICCBICOCFLERLS-LJQANCHMSA-N 427.976 4.120 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Br)cc1Br 797607275 NCTDIBMXGJLSQB-VIFPVBQESA-N 444.123 4.376 10 20 IICD COc1ccc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(O)c1 797639917 NQVJUXXTJBBRPZ-UHFFFAOYSA-N 430.333 4.253 10 20 IICD CN(C)c1ccc([C@H](CNC2CCN(c3nccs3)CC2)NC(=O)OC(C)(C)C)cc1 798270871 XBSYRWDJBRXBLP-FQEVSTJZSA-N 445.633 4.034 10 20 IICD COc1cc(C=O)ccc1OCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800572381 WTBSUMIJTISCHR-INIZCTEOSA-N 430.932 4.093 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCC3CCC(F)(F)CC3)cc2Cl)C1 806770907 FDVPYRYVDJHBJN-OAHLLOKOSA-N 441.950 4.134 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H](C1CC1)C(F)(F)F 809315232 KNFUHCBSZFFCHX-UQTJOTSZSA-N 434.530 4.187 10 20 IICD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(OCc3ccccc3)cc2O)C1 809722529 AWSCFASKHUFPLF-LJQANCHMSA-N 436.474 4.394 10 20 IICD COc1c([N+](=O)[O-])ccc(CN(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1O 809728384 VIYDYKJJRGAGKL-UHFFFAOYSA-N 448.882 4.391 10 20 IICD Cc1cc(Cn2nnc(C(=O)N(Cc3ccccc3O)[C@@H](C)c3ccccc3)c2C)on1 815952059 YCZFDIXUCLJDBP-KRWDZBQOSA-N 431.496 4.040 10 20 IICD O=S(=O)(c1ccc(NNC(=S)Nc2ccc3ccccc3c2)cc1)C(F)(F)F 915999600 IUEIMEFKHPSVMC-UHFFFAOYSA-N 425.457 4.447 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1nc2ccccc2s1 916631947 ONSCVUUMJYVSNW-UHFFFAOYSA-N 436.459 4.473 10 20 IICD Cc1cc(C(=O)Oc2cccc(NC(=O)CN3CCCC3=O)c2)c(C)n1-c1ccc(F)cc1 917060573 MOAZEEYLGRVQIW-UHFFFAOYSA-N 449.482 4.013 10 20 IICD CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)c3cc(N4CCOCC4)ccc3N2)cc1 917500157 XEDQIUCWZFPTAI-SANMLTNESA-N 442.563 4.404 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1[N+](=O)[O-] 917866663 GYLYTWGHASFJFQ-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918289617 ZANYCSNRABWOMM-QZTJIDSGSA-N 441.547 4.037 10 20 IICD COc1ccc(-c2cc3nc(CN(C)c4ccc(OC)c(OC)c4)[nH]c(=O)c3s2)cc1 920418939 XLQLAXHRJRRMEX-UHFFFAOYSA-N 437.521 4.314 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cccc(COC(C)C)c2)c(C)n1-c1ccccc1 920785069 FGVISDSGRBQZPS-UHFFFAOYSA-N 433.552 4.317 10 20 IICD CN1CCN(c2ccc(CNCC3(c4ccccc4Cl)CCOCC3)cc2F)CC1 1327212061 BDWLMGAIFDRFIJ-UHFFFAOYSA-N 431.983 4.069 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 109759775 JLYRSKIMBPPKCC-LEWJYISDSA-N 429.358 4.048 10 20 IICD Fc1ccc(-c2cn3nc(NCc4ccc(N5CCOCC5)c(F)c4)sc3n2)cc1 301096755 OWGHUUIADQPJIE-UHFFFAOYSA-N 427.480 4.185 10 20 IICD COc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 301217122 ZNKKFKGFNUWHTR-SNVBAGLBSA-N 440.809 4.187 10 20 IICD CCC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(=O)N1CCc2sccc2C1 471810248 NWGFAHLNLAILDJ-IBGZPJMESA-N 438.597 4.101 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 726190956 QYJCVDXJSNWMJP-UHFFFAOYSA-N 446.389 4.063 10 20 IICD CN(C)c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1F 726249607 IMZSACBEHWGHHF-QHCPKHFHSA-N 431.515 4.367 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCC[C@@H]2Cc2ccc(F)cc2)c1 729472568 QFBHOVQWASONRW-RUZDIDTESA-N 440.559 4.163 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccccc3F)cc2)CC1 731121318 RBUKCCACOJCJGN-UHFFFAOYSA-N 426.580 4.335 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1-c1cccc2ncccc12 731340582 KMLZRDMOYIMZJW-UHFFFAOYSA-N 440.551 4.386 10 20 IICD Cc1ccc(CN2CCCN(C(=O)CN(Cc3ccco3)Cc3ccccc3O)CC2)cc1 732202476 RRWHCMIPSOSLGC-UHFFFAOYSA-N 447.579 4.030 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)CC2)cc1 734280297 KCFMIGZQMMLPOK-VWLOTQADSA-N 436.600 4.144 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 734687866 WMDLEZPNPWLOQL-DEOSSOPVSA-N 430.552 4.110 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1F 742071960 XDWFYFWGKNRDIZ-RUZDIDTESA-N 425.548 4.231 10 20 IICD Cc1cc(Br)oc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801070 XXULPWVRUMWLQZ-GFCCVEGCSA-N 429.261 4.351 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804404 YALHIOPCNJRMFD-HZPDHXFCSA-N 434.458 4.421 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cn1C 745994650 MDYVJVDITILHRE-UHFFFAOYSA-N 446.337 4.043 10 20 IICD C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CC1)c1ccc(N2CCOCC2)cc1 749008722 DGTBNQHBZQNLRZ-MRXNPFEDSA-N 444.373 4.335 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1 756455585 DGUCLVOQSHYSTM-WDEREUQCSA-N 447.782 4.128 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 757592739 WLVBESLLJGVFAA-QGZVFWFLSA-N 430.504 4.484 10 20 IICD CC(C)(C)OC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 759313220 ONNSAGHLQZOZHL-UHFFFAOYSA-N 443.510 4.031 10 20 IICD C[C@@H](c1cccc(OC(F)(F)F)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762098955 MILXOUDKPSJVNO-NSHDSACASA-N 428.794 4.470 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 765231287 XMLMAAJLXYZIOE-YVXPOVKHSA-N 441.547 4.159 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1OC(F)F 765250921 DQQDWVBYFLNITB-ZBFHGGJFSA-N 437.918 4.494 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(NC(=O)NC(C)C)cc3)cc2F)CC1 765851412 FWRZUXFUZNSACS-IBGZPJMESA-N 441.595 4.348 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1sccc1Br 768912608 PTKBXDHLLRLDAX-CYBMUJFWSA-N 429.767 4.264 10 20 IICD O=C(NCCc1cc2ccccc2[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 771232588 DGDCQKVUJHJESH-UHFFFAOYSA-N 428.483 4.280 10 20 IICD COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 774911332 YUFMOLQPPZNVSJ-JOCHJYFZSA-N 438.480 4.053 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1Br 779936209 NBXJINWHRWBMAJ-YUMQZZPRSA-N 442.188 4.441 10 20 IICD Cc1cc(C(=O)CN(CCO)C2CCOCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 781983524 STAMJLBHLZHUPV-UHFFFAOYSA-N 425.356 4.057 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782236615 OWUMRFAOAFAYBP-UHFFFAOYSA-N 428.945 4.127 10 20 IICD CCNC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 786413771 BXXBXSCPNZNYJT-UHFFFAOYSA-N 427.574 4.011 10 20 IICD COC(=O)CCc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 786423775 JVSIXTQDSFJDIL-SFHVURJKSA-N 445.519 4.107 10 20 IICD COc1ccc(NCc2cc(Br)cc(Br)c2O)cc1NC(N)=O 787315125 HURBXFYTACTXKD-UHFFFAOYSA-N 445.111 4.029 10 20 IICD C[C@@H](NC(=O)N1CCc2cc(Br)ccc2C1)c1ccc(N2CCOCC2)cc1 790250132 VOPOZZJTMCCOGB-MRXNPFEDSA-N 444.373 4.115 10 20 IICD O[C@@H]1CCN(Cc2ccccc2CNCc2ccc3c(c2)CCN3Cc2ccccc2)C1 796341919 FWHWIHGWZHXMIN-HHHXNRCGSA-N 427.592 4.106 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 797625483 SQFNJWOMVPJHTB-ZDUSSCGKSA-N 440.887 4.151 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)cc1 802061124 KSBFPPHLNYQVPR-NRFANRHFSA-N 449.599 4.121 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 806810099 FWZOAGKSBLGFAN-HXUWFJFHSA-N 438.446 4.387 10 20 IICD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811705022 IOKLFEJXAPWWFJ-UHFFFAOYSA-N 436.917 4.328 10 20 IICD CNc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 816890106 YCBHDFJHBFAQMS-UHFFFAOYSA-N 427.854 4.167 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)OCCCO3)c(C)n1-c1ccccc1Br 818381419 VCSQEPWDLZRXIB-UHFFFAOYSA-N 433.346 4.226 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccccc1OC(F)F 819518707 ASBKZFMARZNQPH-UHFFFAOYSA-N 434.483 4.219 10 20 IICD NC(=O)CSc1ccccc1NCc1cc(Br)cc(Br)c1O 864025308 DQLOLFZMQBRNNW-UHFFFAOYSA-N 446.164 4.107 10 20 IICD CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1C 914846131 AMUYVWVRDWSQNM-UHFFFAOYSA-N 440.569 4.080 10 20 IICD Cn1ncc2c(N3CCN(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)CC3)ncnc21 915303927 MLKWEXBTSKWNFF-UHFFFAOYSA-N 441.499 4.133 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1N(C)C 916632230 RTVJJZYCYSMELW-UHFFFAOYSA-N 436.478 4.238 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccc(Cl)nc1 917726549 LWODKGSHWSOXCO-NTEUORMPSA-N 437.999 4.094 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c(C)n1-c1ccc(Cl)cc1 918655188 QTHBYCZKENTOEF-UHFFFAOYSA-N 427.957 4.407 10 20 IICD Cc1cccc(OC[C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 919781152 GOHMEJWHJOJYLM-IPMKNSEASA-N 429.536 4.014 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(NC(=O)c2cccs2)cc1 919968906 PLISPPUWCQWCSU-UHFFFAOYSA-N 449.576 4.139 10 20 IICD C[C@@H](Cc1cccc(Br)c1)NC(=O)NCc1ccc(N2CCSCC2)cc1 920419882 NRBZXQAUKTWNSE-INIZCTEOSA-N 448.430 4.433 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nc(O)oc4c3)c2C)cc1 920617418 JSWUHVLOMUZZTJ-UHFFFAOYSA-N 434.448 4.379 10 20 IICD CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1 1330134984 HUBBAONXAZWCJP-OAQYLSRUSA-N 447.645 4.330 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2cccc(F)c2)C3)cc1 1845398223 LZSKSTNRFSKLIZ-UHFFFAOYSA-N 445.538 4.293 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612025 XHQSAAPLZIDKNP-AWEZNQCLSA-N 437.462 4.465 10 20 IICD COc1ccc(N2CCC(NC(=O)NCC3(c4ccccc4OC)CCCC3)CC2)cc1 726708572 OMQLLMGTDVMCOX-UHFFFAOYSA-N 437.584 4.484 10 20 IICD CCOc1cccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1OC(F)F 727176368 KCBKHCOJXWJTBZ-XNTDXEJSSA-N 444.569 4.476 10 20 IICD Cc1ccc(C(C)(C)CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 728484102 HJMZUNMNKOJMKA-UHFFFAOYSA-N 442.471 4.386 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1 728951264 FHNHNVVERGKSFM-MRXNPFEDSA-N 443.544 4.028 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1C 731299624 USJBVFORUNRMDJ-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCCCC(=O)N3Cc4ccccc4C3)c2C)cc1 732164541 QQMCZHQKOQPCIQ-UHFFFAOYSA-N 431.536 4.155 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3oc4ccccc4c3CN(C)C)cc2F)C[C@@H](C)O1 733889465 SEWFYCZNJRCNHD-IAGOWNOFSA-N 439.531 4.177 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Oc3cnccn3)c2)cc1 736553928 IEZYLRJFMMPXTG-QHCPKHFHSA-N 432.524 4.156 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccccc1OCC1CC1)c2[N+](=O)[O-] 740808387 PKWSDFRSKOYHTM-UHFFFAOYSA-N 442.427 4.411 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCC(O)CC3)cc2)c1C 740962784 NFRQQBGYPBTRBI-UHFFFAOYSA-N 446.547 4.403 10 20 IICD COC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C(=O)OC 743229140 GTHLMYUXYPTAPJ-UHFFFAOYSA-N 440.496 4.332 10 20 IICD COc1ccc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)cc1OCC(=O)NC1CC1 749575638 AUKHKTBADRGDDY-UHFFFAOYSA-N 447.535 4.321 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 750670121 GBAGSJZPZIISEH-RLDZSICGSA-N 431.602 4.137 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2cccs2)CC(F)(F)F)c1 751933548 YKKYVXNCQWSSAD-UHFFFAOYSA-N 442.503 4.053 10 20 IICD Cc1nc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)oc1-c1ccc(Cl)cc1 761635901 KFXOJWBMIVXHHA-UHFFFAOYSA-N 440.931 4.139 10 20 IICD C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(N2CCOCC2)cc1 765136482 PUSJMBKYEMCTQU-HNNXBMFYSA-N 442.357 4.187 10 20 IICD C[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCCCCC2)cc1 765730183 UNRZIVNJYBQARM-QHCPKHFHSA-N 436.648 4.110 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 767314172 VPZRMSVJLWIHAA-VGSWGCGISA-N 429.948 4.021 10 20 IICD Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cc1ccccc1 770564000 ICTKYVPNWZUJCH-GOSISDBHSA-N 440.494 4.011 10 20 IICD CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCC2 774137840 IFFDDHBOZPQMRY-OAQYLSRUSA-N 426.557 4.141 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3cccc(C(F)(F)F)c3)C(C)C)nc12 775334643 ZWKKGRBGDSUYJC-SFHVURJKSA-N 436.434 4.117 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc2c(=O)n(C)c(S)nc2c1 777822599 IUWGAOPRSGWEOJ-INIZCTEOSA-N 445.544 4.331 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4ccco4)cc3F)cc2)C1 786493296 IPVLKYRPWDMVFA-SFHVURJKSA-N 436.487 4.109 10 20 IICD CC(C)n1nc(-c2ccco2)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 788832248 NUMJRGZBGVEDOK-UHFFFAOYSA-N 441.507 4.146 10 20 IICD Cc1oc2c(CN3CCSC[C@@H]3c3cnn(C)c3)c(O)ccc2c(=O)c1-c1ccccc1 790470849 SFAONEBLDKUMQG-OAQYLSRUSA-N 447.560 4.498 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(CCc4ccc(F)cc4)C3=O)cc2)CC1 790593301 ZAIGAKOBJXXHRW-LTGZKZEYSA-N 441.597 4.021 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 798058091 DNBQJJOMMQDIPI-KESTWPANSA-N 433.474 4.287 10 20 IICD Cc1cc(C(=O)CN2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccc(OC(F)F)cc1 800741969 MMWLHLUNHCGOJP-UHFFFAOYSA-N 445.432 4.058 10 20 IICD CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1Cl 804524884 XOABYZDLQBGCJJ-UHFFFAOYSA-N 440.927 4.261 10 20 IICD O=C(Nc1cc(Cl)c(O)cc1F)c1cc(NS(=O)(=O)c2cccs2)ccc1O 805256704 UIBLDCVSILMUSH-UHFFFAOYSA-N 442.877 4.005 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)(C)c1ccccc1 807484495 LIZMDIIWDZWJIU-QHCPKHFHSA-N 434.536 4.387 10 20 IICD CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl 808014338 DZVPIOZTMXZQTG-UHFFFAOYSA-N 435.332 4.196 10 20 IICD COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccc1O 812117851 LYXFKGXYJBFWBZ-UHFFFAOYSA-N 437.327 4.152 10 20 IICD COc1ccccc1N(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)C 813301855 ONUKEWTWPQAJGF-UHFFFAOYSA-N 444.443 4.434 10 20 IICD O[C@@H](COc1ccccc1F)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 836232434 ANVQDKXQDZPPNH-RBUKOAKNSA-N 428.529 4.400 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3ccccc3SC(C)C)CC2)cc1 843443404 CRYSAZPIEBWGIW-UHFFFAOYSA-N 427.614 4.138 10 20 IICD Cc1cc(C(=O)COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)[nH]1 913359739 CEWQFBLOTYWVTL-YVLHZVERSA-N 448.591 4.101 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCC(=O)NC(C)C 915931811 HIQAILPLRJKWQQ-GOSISDBHSA-N 436.478 4.006 10 20 IICD O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccc2c(c1)OCO2 916232553 PJGHCYMHJHUKHB-VWLOTQADSA-N 443.503 4.019 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3Br)cc2F)C[C@@H](C)O1 917715213 ZOCFBULSLAWZGQ-CHWSQXEVSA-N 439.300 4.271 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1 919804961 YGLDYLIVOYHIRH-UHFFFAOYSA-N 431.483 4.161 10 20 IICD Cc1cc(C)c(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)cc1C 919809099 FDWUEFHAYLLGEP-UHFFFAOYSA-N 431.539 4.065 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)oc1C 920188473 GZIKLSZLVRPPRK-UHFFFAOYSA-N 445.475 4.425 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 1251180596 FWHOWJXBCLDQGE-HSZRJFAPSA-N 436.899 4.054 10 20 IICD FC(F)(F)c1ccc([C@H](CNCc2ccc(N3CCCC3)cc2)N2CCOCC2)cc1 1318347823 CAOKXZZHVCZSPQ-QHCPKHFHSA-N 433.518 4.469 10 20 IICD CCC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)n1cccc1 1788427920 FVLFVXYRYISENK-FQEVSTJZSA-N 448.523 4.083 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 96970870 QFACHVLDOVWBDC-QFIPXVFZSA-N 448.519 4.122 10 20 IICD Cc1cc(SCC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)cc1Br 108808319 ZCBYINMEEFUWPA-UHFFFAOYSA-N 449.414 4.311 10 20 IICD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)n(C)c2ccccc12 471236901 XVAXROOZNQHIIG-IBGZPJMESA-N 441.478 4.009 10 20 IICD COC(=O)c1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)cc1Br 494334449 QTPFVFFIBALESE-UHFFFAOYSA-N 448.317 4.041 10 20 IICD CC(C)NC(=O)Nc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726567980 SZPICJABQGRXNH-UHFFFAOYSA-N 446.498 4.217 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(COCCOC(C)C)c3)CC2)cc1 726699465 OTUAFKLKILAAOK-UHFFFAOYSA-N 441.572 4.427 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 729535876 WGJVYHYJWALFDJ-GFCCVEGCSA-N 446.429 4.369 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 734219168 QDOJAFJNPKHOSQ-SFHVURJKSA-N 429.517 4.097 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc1 742753519 JHZRWYLTZSBBAY-RTWAWAEBSA-N 439.556 4.001 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(N2CCOC2=O)ccc1C 743241946 NWTTXNZAKLACIR-UHFFFAOYSA-N 448.317 4.474 10 20 IICD COc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1 743410732 OVMGHRIYUBNMDX-BVAGGSTKSA-N 444.531 4.197 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1n[nH]c(-c2ccccc2)c1Br 743715670 ATDJMLWBCZMOFD-UHFFFAOYSA-N 426.314 4.354 10 20 IICD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)C1 745299058 VEWMVLRMNVOOLU-NTKDMRAZSA-N 437.584 4.445 10 20 IICD COc1cc(CCC(=O)NCc2ccc3c(c2)CCCN3C)ccc1OCC(F)(F)F 749797599 XSUVYDZDPGIUNV-UHFFFAOYSA-N 436.474 4.268 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1C 750764303 FIDQRNSZJQMYLD-UHFFFAOYSA-N 426.538 4.078 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 760304231 ISIBXWPJJOUHHX-UHFFFAOYSA-N 436.580 4.021 10 20 IICD COC(=O)CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cc(Cl)ccc1O 769379707 DWKTZBAGDGVXFI-UHFFFAOYSA-N 447.900 4.253 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3coc(C4CCC4)n3)c2C)cc1 769621800 OBXPOXMCMWROIN-UHFFFAOYSA-N 436.464 4.176 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C3(CCOCc4ccccc4)CC3)cc2F)C[C@@H](C)O1 769866553 XDKKPALDQSCTPO-BGYRXZFFSA-N 440.559 4.443 10 20 IICD C[C@@H](NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1)c1ccc(N2CCOCC2)cc1 770346571 SGLLSQQJJNIWJO-QGZVFWFLSA-N 438.959 4.418 10 20 IICD CC[C@H](Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1)c1ccc(C)cc1 771065642 GCRJDHKESFINCC-HXUWFJFHSA-N 448.567 4.014 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OCC(F)(F)F 772053264 NRUXSCGLENIYBM-UHFFFAOYSA-N 428.794 4.264 10 20 IICD C[C@H](NC(=O)CSc1nc2ccccc2nc1N1CCCC1)c1ccc(N(C)C)cc1 775412019 UFAVVKUQGNLVIU-KRWDZBQOSA-N 435.597 4.266 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1O 779010645 FOENIAGWKZPKGH-BEFAXECRSA-N 447.373 4.223 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 779474165 PGZXIFGJKBCAQY-CYBMUJFWSA-N 445.317 4.291 10 20 IICD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 789429314 VJQMGFGBFOLFCA-HOTGVXAUSA-N 430.480 4.286 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790511886 NFUBEMUXYFTSKA-SFHVURJKSA-N 449.910 4.204 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 790923838 ZTLDFDKOFDHDTN-UHFFFAOYSA-N 438.616 4.347 10 20 IICD CCn1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 790994829 ATIXXALONDTZAL-ATVHPVEESA-N 433.624 4.210 10 20 IICD Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(Br)c1 791071901 DBOMHVCHJZDGHK-INIZCTEOSA-N 447.373 4.267 10 20 IICD Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cn1 797066520 ZVQSNKMLUBJODB-UHFFFAOYSA-N 435.503 4.113 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)N4CCCC4)CC3)cc2Cl)C1 800048702 AUGQRPQARSCPRX-GOSISDBHSA-N 447.023 4.120 10 20 IICD CCOC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 800560867 GPHRNWTVZOIALJ-UHFFFAOYSA-N 425.529 4.187 10 20 IICD Cc1cn(-c2ccc(Cl)cc2)nc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 804260680 VITKIOUCCHXFKZ-UHFFFAOYSA-N 431.279 4.162 10 20 IICD CC[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1O 806144507 RFCDVRGTSNVQEF-CYBMUJFWSA-N 435.295 4.054 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 806277906 IRQZOFSKVYZBPJ-MRXNPFEDSA-N 449.648 4.039 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3cc(Br)ccc3O)ccc21 807387702 RYPGQNXQNZOTFH-UHFFFAOYSA-N 444.329 4.020 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(N(C)C)cc1 807460711 KZSIQOIPVSOSIU-MHECFPHRSA-N 433.527 4.169 10 20 IICD Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C 807680054 ZASIANZATAZWNV-NFBKMPQASA-N 438.568 4.112 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 813589509 AZBMDTZBWNUQAX-HBBPJZECSA-N 447.576 4.003 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1 814273826 CXIBCIVBCRBFPQ-PDGQHHTCSA-N 426.519 4.228 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)ccc21 819427372 KATNALHSRMPDOI-UHFFFAOYSA-N 442.581 4.215 10 20 IICD COc1ccc(CSCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[N+](=O)[O-] 914724791 XXNOZRVHCDGGEZ-UHFFFAOYSA-N 429.542 4.094 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc2c(cc1Cl)OCCCO2 915335106 MXHQWSNTSKRAFW-UHFFFAOYSA-N 431.920 4.002 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 915725184 BOBFWSFCOJKWJK-HSZRJFAPSA-N 427.508 4.431 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(C)c(OC)cc3C)n2)c1 917723311 WQPRBMURMIOSED-UHFFFAOYSA-N 434.539 4.254 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 918624737 FYKDFROZVIBYTG-IBGZPJMESA-N 426.536 4.232 10 20 IICD O=C(COC(=O)CCNC(=O)c1ccsc1)Nc1ccc(N=Nc2ccccc2)cc1 920083154 HXPXJLQGQXQZMK-UHFFFAOYSA-N 436.493 4.465 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)OC[C@@H]3CCCO3)c2C)c1 921098511 LXVNADBSWBATLP-HKUYNNGSSA-N 431.554 4.126 10 20 IICD Cc1c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 1319565580 ZBZYIHYPDXGTMW-HNNXBMFYSA-N 434.558 4.225 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1Cc2ccc(O)cc2C2(CC2)C1 1343664145 UMZYNBGAUWJTOM-KRWDZBQOSA-N 443.494 4.219 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280217 CBGUHIOLLRTNET-FXAWDEMLSA-N 446.975 4.341 10 20 IICD Cn1cc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(-c2cc3ccccc3o2)n1 619710515 ARYULGMQXLVFSI-GDNBJRDFSA-N 438.443 4.186 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCOc3cccc(Cl)c3Cl)CC2)cc1 726614636 ZRPWSQJYDNUQBD-UHFFFAOYSA-N 438.355 4.349 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 728952046 KBTRKTQWAFQDCG-KRWDZBQOSA-N 430.508 4.359 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCCc3sccc3C2)c([N+](=O)[O-])c1Br 730567194 OFOCQYBUODFOCE-UHFFFAOYSA-N 428.264 4.288 10 20 IICD Cc1cccc([C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1C 734410153 AIGNCKPCQVRWAW-OAHLLOKOSA-N 428.444 4.478 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 737110562 FPXWCUKQAWZELI-QFIPXVFZSA-N 449.551 4.149 10 20 IICD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccc2oc3ccccc3c2c1 738884002 ARVAPOCFPJDUTQ-UHFFFAOYSA-N 449.532 4.143 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc(OC)c1OC 741795731 NQSBFHVEWHYLLZ-UHFFFAOYSA-N 427.545 4.168 10 20 IICD C[C@H](Cc1ccccc1F)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754280 OKTRKOWHYIFMCX-VGOFRKELSA-N 443.563 4.453 10 20 IICD COCCOc1cc(C)ccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743110119 NOHLLZYDFAWLCW-KRWDZBQOSA-N 449.498 4.412 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)cc1)C1CCCCC1 743898363 CROAIQTWELYSNZ-UHFFFAOYSA-N 449.473 4.451 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cccc3cnccc23)NC(=O)OC(C)(C)C)cc1 744612049 ZRUDMGIPYUMLMD-QFIPXVFZSA-N 434.540 4.297 10 20 IICD C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)c1ccc(N2CCOCC2)cc1 745990277 PWYTVUYZWVIJMI-LBPRGKRZSA-N 439.737 4.136 10 20 IICD Cc1nnc(-c2cccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)o1 746200124 FBUVYSBXQJZOEB-UHFFFAOYSA-N 428.439 4.045 10 20 IICD COCCCOc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 750060494 QUZGFTUXNUEIAN-SFHVURJKSA-N 434.483 4.102 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=S)NC34CC5CC(CC(C5)C3)C4)cc2F)C[C@@H](C)O1 750994529 IOHKAFFLCCPJSC-TZCMUWOMSA-N 431.621 4.372 10 20 IICD O=C(CCN1CCOCC1)Nc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1F 760443724 SVTLQMREWBFZEM-UHFFFAOYSA-N 442.318 4.111 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ncc(C(C)(C)C)o3)cc2F)C[C@@H](C)O1 761883145 VNUSMVYMQUEQSJ-GASCZTMLSA-N 435.565 4.133 10 20 IICD Cc1nc(SCC(=O)NCc2cccc(Br)c2O)[nH]c1Cc1ccccc1 765755890 JKLVMODPLJQJKY-UHFFFAOYSA-N 446.370 4.186 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC(C(F)F)CC1 766683833 DSYRTUGISOVWPB-SDNWHVSQSA-N 430.567 4.233 10 20 IICD CN1CCO[C@@H]([C@@H](NCc2ccc(N3CCSCC3)cc2)c2ccc(Cl)cc2)C1 769014454 YGAKLNIQZVOADJ-PKTZIBPZSA-N 432.033 4.055 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773621522 BNRGARKBFFSDII-FOIQADDNSA-N 432.362 4.359 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1F 775051116 LZPBZIQHGQGNFL-UHFFFAOYSA-N 432.454 4.283 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784114596 ZJPFMIJBROWIDB-UHFFFAOYSA-N 445.947 4.109 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)c1ccco1 785553277 YVAAUGFHFZXEKE-DEOSSOPVSA-N 431.536 4.134 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1Oc1cccc(F)c1 788929074 GVTHYHSLKDGRES-UHFFFAOYSA-N 447.510 4.151 10 20 IICD Cc1c([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)oc2ccccc12 790238704 UVBLLDULOYETBH-MJGOQNOKSA-N 434.540 4.003 10 20 IICD O=C(c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1)N1CCOCC1 796330456 NSKRPDLWSGAQMK-UHFFFAOYSA-N 427.548 4.334 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 801606207 PSIRXWAHLAQFQQ-UHFFFAOYSA-N 445.585 4.401 10 20 IICD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 802546337 HSYHSUMMPSVCBW-UHFFFAOYSA-N 444.457 4.114 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 808355529 KHGKXNXNFCLTBA-IBGZPJMESA-N 431.536 4.460 10 20 IICD CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1O 810237420 RYNBTDBSUHXFRI-GOSISDBHSA-N 428.476 4.192 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 814304906 ACIPPKSFSWTSQI-UHFFFAOYSA-N 430.596 4.261 10 20 IICD CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccccc1O)c1ccc(Br)cc1 815834226 ZHZLWNRLHBBYJI-NRFANRHFSA-N 449.345 4.211 10 20 IICD Cc1cc(C(=O)N2CCC(OC(=O)N(C)C)CC2)c(C)n1-c1ccc(Br)cc1 818698903 VQECJYKCAQCTAX-UHFFFAOYSA-N 448.361 4.159 10 20 IICD O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N(Cc1ccco1)Cc1ccccc1O 916677333 JHKPZBKIFNYMJP-UHFFFAOYSA-N 429.480 4.424 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 917384630 VEVNFFQNYVXEQN-UHFFFAOYSA-N 433.527 4.402 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)cc1 917713433 JFFXUDQCSSRTGN-UHFFFAOYSA-N 434.514 4.044 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 918304763 YJDMHAMIIKKSSD-UHFFFAOYSA-N 427.854 4.412 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 918308865 BSKZKCXYJFEEFV-UHFFFAOYSA-N 425.573 4.436 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC)cc2C(F)(F)F)cc1 918312308 XJTFEYLSVKRSHK-UHFFFAOYSA-N 437.462 4.157 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(COc2ccc(F)cc2)o1 919970498 HDEWBSITMAPABW-UHFFFAOYSA-N 442.462 4.028 10 20 IICD C[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(N2CCOCC2)cc1 920869730 WGTQNJUYUWTDFS-HOTGVXAUSA-N 443.498 4.389 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCNC4=O)c3)cc2Cl)C1 1325187388 MPFLAWBIQINMFV-INIZCTEOSA-N 426.948 4.036 10 20 IICD O=C(CCc1ccc(F)cc1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429055 QKCXGTIPOMCROD-UHFFFAOYSA-N 449.482 4.012 10 20 IICD O=C(c1cnc(Cc2ccc(F)cc2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 97576309 VHMVKAVNPFZYGP-LJQANCHMSA-N 426.513 4.400 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3nc4ccccc4s3)cc2F)C[C@H](C)O1 108466701 HKRLLRMDTGDJCC-HOTGVXAUSA-N 442.560 4.391 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1 109567857 SKZJVWLCQGGFHT-PMACEKPBSA-N 431.399 4.422 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C1(c2ccc(Br)cc2)CCOCC1 110175663 VMZMVOQSGHSUTN-UHFFFAOYSA-N 443.385 4.414 10 20 IICD Fc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1N1CCOCC1 237914839 MAWLHTVLUQVZNF-GOSISDBHSA-N 435.490 4.022 10 20 IICD OCC1CCN(c2ccc(CNc3ccnc4cc(Br)cnc34)cc2)CC1 302120293 TZMKMVRQCYUJIT-UHFFFAOYSA-N 427.346 4.213 10 20 IICD CCN(CC)C(=O)CCCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 302931189 DBBUMHXOLYDFDJ-UHFFFAOYSA-N 434.378 4.235 10 20 IICD CCN(CC)C(=O)C1(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCCCC1 483465335 BYJQZERGZVYCIV-UHFFFAOYSA-N 427.589 4.206 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1C 486918046 XOFFGXJXAHPNAQ-UHFFFAOYSA-N 443.569 4.227 10 20 IICD COCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccc(OC)c(OC)c1 525588088 BHIWRKYBXPLSBL-UHFFFAOYSA-N 440.540 4.215 10 20 IICD CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 572682401 CUUXUNKGVASTBB-HXUWFJFHSA-N 446.532 4.080 10 20 IICD Cc1onc2c(=O)n(CN(C)Cc3ccc(N4CCCCC4)cc3)nc(-c3ccccc3)c12 725765460 NAPAQTPJKHBCQF-UHFFFAOYSA-N 443.551 4.440 10 20 IICD COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 726468595 KCDNACOPMYFGSQ-UHFFFAOYSA-N 443.466 4.176 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(CCc1ccccn1)Cc1ccc(F)cc1 727033796 WTCWZUIRKMGSEL-UHFFFAOYSA-N 448.542 4.012 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C(=O)N(C)C)c3)c2C)cc1C 728643306 XWAHNTYCCQHJLK-UHFFFAOYSA-N 432.520 4.452 10 20 IICD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 729048214 CLVXLFCGFLWWCB-SFHVURJKSA-N 426.517 4.113 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 729306397 ZZXWXPFVKUKTEX-UHFFFAOYSA-N 425.916 4.033 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)CC1 731038539 JTPANBSDYIQBKD-UHFFFAOYSA-N 428.476 4.300 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1F 731408714 CIIIBKCYPWMDLP-UHFFFAOYSA-N 436.487 4.114 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1N1C(=O)CCC1=O 733035340 GGIRVNAFZWRGEN-UHFFFAOYSA-N 434.540 4.303 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c1 734073016 ZPOHBZGKGMRUIM-UHFFFAOYSA-N 442.924 4.460 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CSc2ccccc21 735511314 XGSKICSEFYASEP-SFHVURJKSA-N 437.487 4.188 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ncccc3C(=O)N3CCCCC3)cc2F)C[C@@H](C)O1 742394685 XDGWQUXMYNEJPO-QZTJIDSGSA-N 426.536 4.073 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccc(F)cc1 742799514 BPVRYLFKBJLWDQ-QGZVFWFLSA-N 444.457 4.320 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 743083434 CGWQBJHMOMVGSM-UHFFFAOYSA-N 432.318 4.101 10 20 IICD Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 743413182 BOKGKTGVXOJNMA-UHFFFAOYSA-N 447.539 4.069 10 20 IICD Cc1cc(CC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)c(C)n1-c1ccc(Cl)cc1 747146920 UUMQBSNDIRCALV-RJGXRXQPSA-N 429.992 4.000 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2c(F)cccc2C1 757629911 SZUGJCZGZCHCGF-PDGQHHTCSA-N 446.594 4.454 10 20 IICD CN(CCC1CCOCC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 757742587 CMCAHMMJTQNDTM-SAPNQHFASA-N 438.640 4.005 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 758415804 LYCQEYFWPXKZJD-PDICVPPASA-N 434.926 4.081 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761102053 YPHVURFUCOWTMX-LBPRGKRZSA-N 426.822 4.460 10 20 IICD CC(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 762341530 AUCDNILHSHEUGU-UHFFFAOYSA-N 448.818 4.479 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3cc(Cl)c(OC)cc3OC)cc2F)CC1 765853432 SKRMJDFOCOCNQM-INIZCTEOSA-N 435.971 4.489 10 20 IICD CC(C)(C)Sc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1 765903150 GGTWKBPFRYMHKY-UHFFFAOYSA-N 437.359 4.300 10 20 IICD O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 768449095 DRTYCLNBSSFEGJ-HSZRJFAPSA-N 449.482 4.159 10 20 IICD O=S(=O)(CCC1CC1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 770632723 DVKWMNCSJUHBHA-UHFFFAOYSA-N 449.381 4.336 10 20 IICD C[C@@H](NCCCC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)cc1Cl 772978319 FHCNUABGXCQYDJ-GOSISDBHSA-N 427.976 4.197 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1 773428370 IPWJGIUCQKZYGB-VGOFRKELSA-N 432.406 4.067 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 778620458 MSZJFEAHBOSMKO-IERDGZPVSA-N 434.005 4.469 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 779478775 BTVIFKBWRTXPOF-UHFFFAOYSA-N 425.895 4.422 10 20 IICD COc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C(C)C)cc1 785542224 DYXIUXYZJITHJC-HSZRJFAPSA-N 425.573 4.012 10 20 IICD Cc1cccnc1[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(C)C 803677229 JTOARGQJPIPPSW-QHCPKHFHSA-N 436.600 4.289 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(-n3cnc4ccccc43)cc2)SC1=S 814267773 IMQJQIVQDJNOCY-CPNJWEJPSA-N 437.546 4.180 10 20 IICD N=C(NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)Nc1cccc(Oc2ccccc2)c1 849090684 GPWPZIGSKLMEPM-FQEVSTJZSA-N 443.551 4.317 10 20 IICD CC(C)N(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C1CC1 914473972 ZRFJECSHQGKYQN-OQLLNIDSSA-N 439.400 4.050 10 20 IICD CCOc1ccc(OCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917710576 KEKKFCFKVWFDEQ-OALUTQOASA-N 444.547 4.313 10 20 IICD C[C@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872983 SSALIVZUDKMGQL-INIZCTEOSA-N 442.947 4.186 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)/C=C/c3cc(Cl)cc(Cl)c3)cc2)C1 1317900619 GIRIKPNCPUYWGO-ZGRWHYIRSA-N 432.351 4.025 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N 1321294695 TXBCMSUPQHQZHO-UHFFFAOYSA-N 447.333 4.202 10 20 IICD O=S1(=O)CCN(c2ccc(CNc3nc(-c4ccccc4)nc4ccccc34)cc2)CC1 1333670954 CDPQKQOFEWHHEN-UHFFFAOYSA-N 444.560 4.144 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nnc(CCCNC(=O)OC(C)(C)C)o3)ccc21 1341625360 KRRGDKOYYLYWSM-UHFFFAOYSA-N 428.533 4.412 10 20 IICD COc1ccc(N2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1F 301570746 NWVQFCIMWGLAIJ-UHFFFAOYSA-N 427.480 4.071 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 303796121 RKIAHOOFMQYUGR-JTSKRJEESA-N 431.964 4.094 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccc(C)cn4)C3)ccc21 483027468 NFWVAQFBDVSMAC-NRFANRHFSA-N 448.567 4.099 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1)C1=S=CC=C1 518857748 WSABPYDAIJWWAX-UHFFFAOYSA-N 426.295 4.382 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)ccc21 553564548 SSHBZRONMNKRLM-IRXDYDNUSA-N 427.589 4.012 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 725851909 ANOHGWODRDQILU-LJQANCHMSA-N 432.565 4.322 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCCN(CC)CC2)sc(C)c1-c1ccccc1 729542696 NHKNIGQMEAIMLM-UHFFFAOYSA-N 443.613 4.256 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1F 731364393 ZOYJCLMKCRVXIH-KRWDZBQOSA-N 434.506 4.276 10 20 IICD COc1ccc(Cn2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2)cc1 731575125 LAKHOLALFTVMIJ-UHFFFAOYSA-N 444.535 4.442 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(Cl)cccc1[N+](=O)[O-] 731974487 PPZJBEJTSYCZLC-UHFFFAOYSA-N 443.809 4.034 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 734064685 ILQGTJLWUOVSFZ-UHFFFAOYSA-N 442.519 4.312 10 20 IICD Cc1cccnc1[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(C)C 741788717 AJMYQZIZCDAKPH-QHCPKHFHSA-N 427.504 4.091 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)CC(=O)c3ccccc3F)cc2F)C[C@@H](C)O1 742557971 YFJJRBFKZZVCSD-BRWVUGGUSA-N 430.495 4.104 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 742602361 PNUOEWRMYBQAHM-FCHUYYIVSA-N 445.604 4.050 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc2ccc(F)cc12 742797774 GGOWVDXTUQGZFR-AWEZNQCLSA-N 431.414 4.080 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)n2)s1 743045879 CUAKOWNLLCKFKY-UHFFFAOYSA-N 439.559 4.064 10 20 IICD COC(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743107841 MHKIQVLNDSUMRM-INIZCTEOSA-N 434.443 4.257 10 20 IICD CCc1ccc([C@@H](COC)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 743635237 QGPWYCLPORTXEX-HNAYVOBHSA-N 437.487 4.099 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C 743808723 CPJCQAHQCWXNOA-MRXNPFEDSA-N 441.366 4.293 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl 743956316 QGMJFTZGOVSWEE-UHFFFAOYSA-N 430.932 4.214 10 20 IICD COc1ccc(N(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)C(C)C)cc1F 744393310 INZOWJIQOGEZQZ-UHFFFAOYSA-N 431.464 4.325 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccccc2)C1 745903648 IKEISTXOUOOIKG-RXVVDRJESA-N 431.483 4.040 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 747538770 MDJXIFIUIKAGCH-UHFFFAOYSA-N 440.613 4.386 10 20 IICD CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 747588182 KRLYQISFPOYHJO-UHFFFAOYSA-N 446.956 4.428 10 20 IICD C/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 748185851 MGDSBUUSWJHBHO-XCTGESOMSA-N 445.485 4.127 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2cc(-c3ccccc3)oc2C1 752004947 NGGNVLWHJDCQHJ-UHFFFAOYSA-N 435.499 4.190 10 20 IICD C[C@H](NCc1ccccc1N1CCOCC1)c1cc(Br)cc(Cl)c1O 756483564 UCVKYOGEMWPLOI-ZDUSSCGKSA-N 425.754 4.496 10 20 IICD COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 758494493 QLUKWXBSECCOGM-INIZCTEOSA-N 436.474 4.046 10 20 IICD CC(C)CO[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 759302909 DORNQVOGYBBNIN-QAEAHILHSA-N 438.640 4.003 10 20 IICD Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)ccc1C(=O)O 761235553 YTHAHIAMVIRKGQ-LFIBNONCSA-N 446.575 4.375 10 20 IICD Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 764019618 GVQHVUPFWARWCN-MRXNPFEDSA-N 434.452 4.021 10 20 IICD C[C@H](N[C@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817713 ZTNFDCMIUKWLQI-KSFYIVLOSA-N 428.939 4.489 10 20 IICD CC(C)O[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 766104827 OAMNAAMJHGIZEN-RTBURBONSA-N 425.520 4.148 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 766317394 CXSRRGOLMGCIFA-FGZHOGPDSA-N 431.964 4.039 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 769024646 QGZBGAHGSHPENS-BJKOFHAPSA-N 447.608 4.164 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])cc1 771055152 BGMMPYXKGWAUAD-GOSISDBHSA-N 431.920 4.012 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccccc1I 771242947 NGKLUVUVKVUZFJ-UHFFFAOYSA-N 448.348 4.483 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)NCc4cccc(C)c4)no3)ccc21 771623836 NDANLKPZAARKKA-UHFFFAOYSA-N 432.524 4.122 10 20 IICD O=C(CNc1ccccc1SC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 772912675 ZWYPELGJNSZCMH-UHFFFAOYSA-N 443.466 4.003 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc21 774109698 YFXRRLQWGBWBIE-GOSISDBHSA-N 436.556 4.095 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNCc2cnn(-c3ccc(Br)cc3)c2)c1O 775028178 CYCMWEWAWUFSIX-UHFFFAOYSA-N 437.681 4.192 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@@H]2SCCS[C@H]21 776257653 ZWLQZASFIYRDMB-DYEKYZERSA-N 439.238 4.386 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)[C@H](C)Cc3ccsc3)cc2F)CC1 779558529 RDOIUSAMVUVZFG-GOSISDBHSA-N 432.609 4.192 10 20 IICD COc1cccc2c1CCN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)C2 782720014 XZSBIXKGZYHQQS-UHFFFAOYSA-N 431.483 4.033 10 20 IICD Cc1ccc(-n2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cn2)c(C)c1 786428025 WXHYVTTYHCQDFN-UHFFFAOYSA-N 431.540 4.233 10 20 IICD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788935230 CJNQHTGEOXECAI-FQEVSTJZSA-N 433.474 4.021 10 20 IICD CC[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4CCCO[C@@H](CC)C4)c23)CCCO1 799162963 DCBIVVZWOVEHCY-SFTDATJTSA-N 442.600 4.253 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCCCSc2nccs2)c1 799833951 DRQLDOFUTRIPOL-UHFFFAOYSA-N 441.578 4.268 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cnc(-c4ncccn4)s3)cc2Cl)C1 800048422 AVIMPNJOKRVFGS-AWEZNQCLSA-N 427.961 4.420 10 20 IICD CSc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 800397507 RJPPDPQANWLTOB-KZNAEPCWSA-N 445.604 4.128 10 20 IICD CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 807446650 RICPPEORXWPUHM-VQTJNVASSA-N 428.529 4.251 10 20 IICD C[C@@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 807624829 RULGGSQEBUOPBG-HYBUGGRVSA-N 429.564 4.073 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 809144233 HSOHNZSIGKZTTQ-MOSHPQCFSA-N 429.563 4.260 10 20 IICD COc1cc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC 813532878 CHFMLLXKVKDRJD-UHFFFAOYSA-N 437.540 4.162 10 20 IICD CC(C)CNC(=O)NC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772206 QHGQUDRTDSMNJO-VIZOYTHASA-N 433.580 4.087 10 20 IICD O=C1/C(=C/c2ccc(-c3cccs3)cc2F)SC(=S)N1CCCN1CCOCC1 917643375 GLUGRHMPIDHPJN-RGEXLXHISA-N 448.610 4.478 10 20 IICD O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294663 RMEYRCRDSSUCRX-UHFFFAOYSA-N 448.397 4.094 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(N3CCOC3=O)c2)c(C)n1-c1cccc(F)c1 919195968 FLJBKOQMNLXWQO-UHFFFAOYSA-N 436.439 4.230 10 20 IICD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1 1256175593 NMYFBZLORBIART-ZIAGYGMSSA-N 442.903 4.297 10 20 IICD Cc1cc(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)c(C)n1-c1ccc(F)cc1 1321875990 ZADXESPBNAABKS-UHFFFAOYSA-N 447.432 4.412 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)COC2CCCCC2)cc1 1847441533 GPZKUBVMKKDNBA-DQEYMECFSA-N 449.595 4.259 10 20 IICD CN(C)C(=O)[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1 18191951 VMOKTJQUNCPEDF-QHCPKHFHSA-N 447.874 4.102 10 20 IICD Fc1cc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)ccc1N1CCOCC1 301316410 NPSYRNICFAKMCO-UHFFFAOYSA-N 433.409 4.145 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3csc(-c4ccsc4)n3)SC2=S)cc1 726628554 YUZNQIJRVZZRQH-VGOFMYFVSA-N 429.573 4.376 10 20 IICD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cc12 727242188 VUFBVRLZVHSHFQ-UHFFFAOYSA-N 439.566 4.080 10 20 IICD COc1cc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c(OC)cc1Cl 731843873 AEZMSFKSBYFDED-UHFFFAOYSA-N 430.888 4.297 10 20 IICD CCN(CC)c1ccc(CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 733133174 KBQJEULMPBHEMX-ULJHMMPZSA-N 428.536 4.015 10 20 IICD CCn1c(SCC(=O)NCCCSc2nccs2)nnc1-c1ccccc1C 733881064 ZZBPUYQPELNQBO-UHFFFAOYSA-N 433.628 4.121 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735516279 MYGSCPLQMYLKGD-OAQYLSRUSA-N 435.524 4.188 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c[nH]1 743046026 LHOUPKNMYIIPHZ-UHFFFAOYSA-N 438.339 4.094 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cc(OC)c1OC 743283598 CQHIHCMGMWVOMT-SYERDGIWSA-N 441.574 4.471 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 748681057 HXXSPTLNBDNBHV-UHFFFAOYSA-N 435.477 4.016 10 20 IICD C[C@H](NC[C@@]1(N(C)C)CCSC1)c1cc(Br)cc(Br)c1O 756635067 DHNHCWZZWRQVAB-BONVTDFDSA-N 438.229 4.005 10 20 IICD C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 758738153 BHQXYOGGXZRGKL-KKSFZXQISA-N 433.499 4.068 10 20 IICD Cc1cc(C(=O)CN2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 759875053 MDUBXTBINKPJSS-WNNBVUDTSA-N 426.504 4.139 10 20 IICD C[C@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)c(F)c1 765333517 VIKQVEQHVPWXNO-HOCLYGCPSA-N 443.346 4.060 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccccc1Cc1ccccc1 765929982 FFGVISIZDDUVMA-UHFFFAOYSA-N 439.309 4.000 10 20 IICD CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)CC1 768353921 BXOYSFVWBCIZFA-UHFFFAOYSA-N 433.568 4.026 10 20 IICD CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 769234968 ZMXFZDCIIXLJIQ-UHFFFAOYSA-N 436.556 4.322 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c2)CC1 769959520 OOQBQKWRONTLAN-UHFFFAOYSA-N 425.838 4.313 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)C1=Cc2ccccc2OCC1 772778961 FTOHTHVFRMFDCU-UHFFFAOYSA-N 438.343 4.130 10 20 IICD COc1ccc([C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C(F)(F)F)cc1 775992611 UEWMIVAWYCUKQC-FQEVSTJZSA-N 437.462 4.275 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1F 778266326 OCBOISGEAGLGSS-ZDUSSCGKSA-N 428.474 4.467 10 20 IICD COc1ccccc1N1C(=O)/C(=C\c2cnn(Cc3ccc(F)cc3)c2)SC1=S 780142676 HTXOGWZQMCACNH-VXLYETTFSA-N 425.510 4.485 10 20 IICD Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 781361867 IXFDXHNZYZDURN-OAQYLSRUSA-N 427.618 4.407 10 20 IICD COC(=O)COc1ccc(N(C)Cc2ncc(-c3cccc(Br)c3)o2)cc1 784556037 OVKTUQMSYWMRBV-UHFFFAOYSA-N 431.286 4.292 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Br)c(F)cc3F)CC2)cc1 786165816 ZPAFWKZPSZAEBS-UHFFFAOYSA-N 426.261 4.090 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCC=CO2)sc(C)c1-c1ccccc1 787030750 AUIRAUNQXGMBPI-INIZCTEOSA-N 429.494 4.075 10 20 IICD Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 789557556 DWHVHNKLBSLDNA-UHFFFAOYSA-N 448.336 4.092 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 792884732 ZRIKMFJTKNWFIE-UYAOXDASSA-N 429.511 4.061 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c1O 794829354 RDOKVNPYXFMBEA-ZUZCIYMTSA-N 442.151 4.103 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCCCC(F)(F)F 794862097 NPWLNNIZFLCQHJ-RIYZIHGNSA-N 430.452 4.340 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3n[nH]cc3Br)cc2Cl)C1 799932623 TYIWUMWLXMTQCR-GFCCVEGCSA-N 440.773 4.061 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCN(c4ccccn4)C3)cc2Cl)C1 799960921 UAWTVSIOOFECSH-MJGOQNOKSA-N 427.980 4.049 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3CCN(C(=O)c4ccccc4)C3)ccc21 801254814 GUCBKMUQILEYKH-HXUWFJFHSA-N 434.536 4.224 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 801546443 PCUCYKFUAVDKGM-UHFFFAOYSA-N 448.560 4.148 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)cc1 804197944 SKBFVMLUSNOCRL-JKSUJKDBSA-N 435.705 4.128 10 20 IICD COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 805010766 CJLIVHHUHQBSHY-OAQYLSRUSA-N 441.494 4.093 10 20 IICD CCCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl 807513969 ZRZIFMNBJXSNKS-UHFFFAOYSA-N 431.703 4.396 10 20 IICD Cc1cnc([C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C2CC2)s1 807630096 YSDFFBPVQRSCOZ-HXUWFJFHSA-N 427.570 4.086 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 808353467 AKCGLSDDDGDMNB-LJQANCHMSA-N 430.552 4.041 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 809144846 SFZCZUYPEZAOAI-NDENLUEZSA-N 442.562 4.214 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccc4)n3C[C@@H]3CCCCO3)CC2)cc1 812436496 IQUBMTINTPJOOL-DEOSSOPVSA-N 447.583 4.240 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCSc1ccccc1 824017733 VMTKIBVRUUWVTO-WQRHYEAKSA-N 442.566 4.400 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)n1ccccc1=Nc1ccccc1)c2[N+](=O)[O-] 832908868 RGAWEIKEQWYCIX-UHFFFAOYSA-N 449.422 4.093 10 20 IICD Nc1c(Cl)ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl 857472172 HXXMXVYDJWUXAQ-ZDUSSCGKSA-N 428.747 4.329 10 20 IICD CC(C)N=c1ccccn1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914447970 GFVXAZUWSKONJK-ZEOUHTHCSA-N 431.608 4.181 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)s1 914577956 DSRNZBGOFNAATI-UHFFFAOYSA-N 449.000 4.038 10 20 IICD Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C(C)C)cc1 914753992 BZKYHUBWRXUJHP-UHFFFAOYSA-N 432.568 4.413 10 20 IICD Cc1cc(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c(C)n1-c1ccc(Cl)cc1 916088113 TYXPQGPQFPBSSN-UHFFFAOYSA-N 435.955 4.499 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)NCC(C)C)c(Cl)c3)CC2)cc1 916717203 WJNRARDBCWBRPU-UHFFFAOYSA-N 444.963 4.089 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1-c1ccccn1 918141695 ZCOAKOWEPZGULO-ROUUACIJSA-N 436.531 4.172 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3cccc(F)c3)C3CC3)cc2F)C[C@@H](C)O1 918220078 SQDRRNDBBLMVBK-IAGOWNOFSA-N 429.511 4.453 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)c1C 918677772 KOVTULWQCGMILA-UHFFFAOYSA-N 441.528 4.334 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(Oc2ccc(F)cc2)cc1 919839079 ASBZPNGUFSLYKH-UHFFFAOYSA-N 440.496 4.105 10 20 IICD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(N3CCCC3)cc1)n2CC 1337518254 PLPBECWNMIAJPD-UHFFFAOYSA-N 426.586 4.354 10 20 IICD Cc1cccc(Nc2nnc(SCC(=O)NCc3ccc(N(C)C)cc3)s2)c1C 18248115 JTQMKQKYDWFZCW-UHFFFAOYSA-N 427.599 4.373 10 20 IICD O=C(Cc1occc1C(=O)N1CCc2cc(F)c(F)cc21)N1CCc2cc(F)c(F)cc21 497930911 XCBGBDVWBHODDJ-UHFFFAOYSA-N 444.384 4.171 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 726104696 VQOPBQCOQOXPEV-HXUWFJFHSA-N 432.609 4.321 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)SC2=S)cc1 726626823 GYCFHWOSJJOYRB-XFFZJAGNSA-N 425.354 4.015 10 20 IICD COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 727251434 YCVJMBBHFZJCRZ-UHFFFAOYSA-N 444.868 4.329 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 730593516 QXCXBAOWPCTXJW-UNOMPAQXSA-N 431.535 4.135 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1F 731345824 KPVBAJYLWMDMFJ-UHFFFAOYSA-N 445.494 4.403 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1F 731364301 KEKAIICLHUSVNK-HNNXBMFYSA-N 433.524 4.258 10 20 IICD Nc1cccc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)c1 731801668 LPBBIPLVHLAYBF-PTNGSMBKSA-N 428.564 4.214 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 734080267 NSTPWROKHGGWIC-QFIPXVFZSA-N 441.491 4.352 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](CN1CCCCC1)c1ccccc1 734269869 KVEQOKQCKVQZKG-DEOSSOPVSA-N 438.641 4.266 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 734403239 ZGDUHKFWIIJPLJ-HNNXBMFYSA-N 444.626 4.326 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(-c4nccc(C)n4)c3)cc2F)CC1 734652498 YOVOMGIBSBNPQP-UHFFFAOYSA-N 448.546 4.055 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2)c1 741099563 FQWWLSFQYSGKLR-UHFFFAOYSA-N 443.503 4.119 10 20 IICD COc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(C)C 742801808 SOQJKYPWAOYKHR-KRWDZBQOSA-N 434.483 4.483 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC 743871193 VTYXLDSPLSFXQO-ZDUSSCGKSA-N 437.334 4.021 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 743958420 WANNEAVDTRZSIN-UHFFFAOYSA-N 444.531 4.413 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OC4CCCC4)CC3)cc2F)C[C@H](C)O1 749415809 LGZYJJRGWNDUOA-ROUUACIJSA-N 433.568 4.073 10 20 IICD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N(Cc1ccco1)Cc1ccccc1O 750669324 AGWUYMFPWCMONP-FQEVSTJZSA-N 439.899 4.156 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1 752101520 LFNATSOJOCLZDN-NRFANRHFSA-N 431.544 4.368 10 20 IICD CC(C)n1cnc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1 753924334 PNOKXVTWIPMBTN-UHFFFAOYSA-N 427.349 4.151 10 20 IICD C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)cc(F)c1O 756592978 KOESPAKGXFQYSD-PSLIRLAXSA-N 446.700 4.103 10 20 IICD O=C(NCCCSc1nccs1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 759601519 NHJAIVWYQOQXID-QFIPXVFZSA-N 430.643 4.323 10 20 IICD CC(=O)OCCCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 765367793 KHSFLXRRJCYIJW-QFIPXVFZSA-N 426.513 4.101 10 20 IICD Cc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c(C)n1-c1ccccn1 770442783 IKQOMRNYZOLNNP-UHFFFAOYSA-N 425.536 4.127 10 20 IICD O=C(CCC(=O)c1ccc(F)cc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771051866 CFHMLSWLKXADSV-KRWDZBQOSA-N 436.886 4.068 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1[N+](=O)[O-] 790640229 ZRDMQSQTPWZHNC-UHFFFAOYSA-N 434.455 4.044 10 20 IICD Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c1F 799187619 XDHZGTKXIPEGJQ-UHFFFAOYSA-N 432.502 4.036 10 20 IICD COC(=O)[C@@H]1CC12CCN(C(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)CC2 800719967 PTTWLNOZQQFTRT-WMZOPIPTSA-N 433.980 4.061 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 807254851 HEHQEUYAVOQRMU-UHFFFAOYSA-N 438.616 4.346 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 812064289 PRPAYNXZIPVKFA-DHIUTWEWSA-N 435.572 4.147 10 20 IICD Cc1cc(CN2CCN(Cc3c(O)ccc4c(=O)c(-c5ccccc5)c(C)oc34)CC2)no1 813037059 GHDCERYKBOXJAT-UHFFFAOYSA-N 445.519 4.088 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)CC2)cc1 813856110 XBBRICZEFAPYTC-RLWLMLJZSA-N 441.591 4.104 10 20 IICD C[C@H]1CN(c2ccc(CNCc3c(Cl)cccc3N3CCOCC3)cc2F)C[C@H](C)O1 815115356 HHYQWXXMXMPVKU-ROUUACIJSA-N 447.982 4.219 10 20 IICD O=C(COc1ccc(Cl)cc1)NC1CCC(NCCCSc2nccs2)CC1 816552990 DNCYHGPAFICLSN-UHFFFAOYSA-N 440.034 4.375 10 20 IICD Oc1c(CNCc2ccc(Br)cc2N2CCOCC2)ccc2ccccc12 816557479 RIMNEUUTLRUBHQ-UHFFFAOYSA-N 427.342 4.434 10 20 IICD Cc1sc2ncn(CCC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c(=O)c2c1C 818030681 REVSOYBRFMEUND-UHFFFAOYSA-N 438.597 4.114 10 20 IICD CC(C)CCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914900187 PNKUUCRYSAQUSS-ZROIWOOFSA-N 428.373 4.240 10 20 IICD CN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916633647 JFVWWXBTGHVITC-UHFFFAOYSA-N 425.426 4.023 10 20 IICD CC(=O)c1cc(CN(C)Cc2cc(Cl)cc(Cl)c2)c(O)c(CN2CCOCC2)c1 917478312 YRZGOWOKAHDXAQ-UHFFFAOYSA-N 437.367 4.366 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)s3)cc2F)C[C@@H](C)O1 917709997 LQWZKRXBAVJJSL-TXEJJXNPSA-N 427.339 4.193 10 20 IICD CCOc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1F 917835479 GXUJRHKTBHMFJJ-UHFFFAOYSA-N 434.379 4.160 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(OC)c(OC)cc3C)n2)cc1 917907318 XUIISURGVZMAEQ-UHFFFAOYSA-N 434.539 4.335 10 20 IICD Cc1cccc(C)c1OCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918616232 VRRMDCXKAFDVQW-UHFFFAOYSA-N 436.474 4.244 10 20 IICD Cc1cc(CC(=O)N2CCN(Cc3cscn3)CC2)c(C)n1-c1ccc(Cl)cc1 919824611 HUZBAHCXHKPEHB-UHFFFAOYSA-N 428.989 4.091 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1317884207 VXLXQKKQXVHGAV-LJQANCHMSA-N 435.597 4.205 10 20 IICD O=C(c1cccs1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830735607 RNCGUQBQNMJRHN-KRWDZBQOSA-N 448.972 4.360 10 20 IICD Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 10878225 GJTGFCKLLCPXGC-UHFFFAOYSA-N 433.847 4.219 10 20 IICD CCCn1c(C)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2cc(OC)ccc21 27156158 QDARDUJEGIKOCC-UHFFFAOYSA-N 435.568 4.477 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 109570081 URFHEALAXJYDNQ-LEWJYISDSA-N 429.358 4.048 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c12 115949499 HTNNNJPHVLQFJG-MRXNPFEDSA-N 434.540 4.380 10 20 IICD CCOc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1OCC(F)(F)F 236866873 XQAGGOIXNFSGPE-UHFFFAOYSA-N 442.453 4.292 10 20 IICD CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 726102174 IPGABYDQKZXPMD-FQEVSTJZSA-N 442.991 4.162 10 20 IICD CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727490737 XOTGWQWWTOUKDH-XSFVSMFZSA-N 444.553 4.467 10 20 IICD CCCC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)cc1 728597884 VJIXKBOXJBXCJB-QFIPXVFZSA-N 429.536 4.402 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 728977940 IJWGWVPZZVUVSD-ZDUSSCGKSA-N 438.484 4.340 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 729061335 AXCIYGZDHITOMT-CYBMUJFWSA-N 432.904 4.192 10 20 IICD CCn1c(S)nnc1C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 731641794 AWXWZAMHYDXVDY-UHFFFAOYSA-N 439.585 4.023 10 20 IICD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c(O)c1O 733475120 ABZRILVONPSBIP-HNNXBMFYSA-N 438.505 4.278 10 20 IICD Cc1ccc(C[C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 737648291 SRKYTAZAUDJRQP-GFCCVEGCSA-N 434.473 4.101 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(OCc4ccccc4)ccc3O)CC2)cc1 738525937 BTPSQFUPQSGAJP-UHFFFAOYSA-N 432.520 4.379 10 20 IICD CCN(CC)c1ccc(/C=C(/Cl)c2nc(=O)c3ccc(C(=O)OC)cc3[nH]2)cc1F 739425289 NVEPGGSZSXANFO-MHWRWJLKSA-N 429.879 4.432 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)c2C)cc1 740827746 CFDCOEVGACDYEP-AOMKIAJQSA-N 441.572 4.478 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2cccc(F)c2)no1 742798767 QRUJNEAHDGVBPH-INIZCTEOSA-N 431.414 4.481 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCO[C@H](c2ccccc2)C1 745903671 IPPXEBVHGGBEEQ-KNQAVFIVSA-N 445.510 4.430 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)cc1[N+](=O)[O-] 747855868 BYSDUBIVFKBHMJ-UHFFFAOYSA-N 426.479 4.376 10 20 IICD O=C(Nc1nc2ccsc2s1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751067085 RYDAPHTWQYEVCH-UHFFFAOYSA-N 437.549 4.178 10 20 IICD CCC(CC)c1cc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)on1 751068121 RTHOMYDNQHCZLT-UHFFFAOYSA-N 449.554 4.076 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 751386453 UZGWUJOMBTVMHE-CPJSRVTESA-N 433.596 4.293 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCC[C@H](N4C(=O)c5ccccc5C4=O)C3)CC2)cc1 751599435 CWUIXKARAQUCHC-UNMCSNQZSA-N 447.579 4.251 10 20 IICD COC(=O)c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)c([N+](=O)[O-])c1 753141208 VWFRIRPTRQJVCG-UHFFFAOYSA-N 428.489 4.198 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1 756455569 DGUCLVOQSHYSTM-MNOVXSKESA-N 447.782 4.128 10 20 IICD C[C@@H](NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccc2ccccc2c1O 756466375 QAMGZVDSVIBZOU-WIYYLYMNSA-N 434.536 4.070 10 20 IICD COc1ccc(O)c([C@H](C)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 756608743 LLUNAYYAHPCNTC-WNSKOXEYSA-N 429.513 4.384 10 20 IICD COc1ccc(O)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 759719110 JSZWDQYRPJENEY-WJDWOHSUSA-N 434.564 4.082 10 20 IICD CCCOc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(OC(F)F)c1 760777025 LSTDICZETYKFQM-UHFFFAOYSA-N 431.483 4.452 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)cc(Br)c1F 766417835 XSTYGIGGJUQYHN-UHFFFAOYSA-N 445.691 4.147 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1 767755415 IUACFPQVBDULNJ-OXQOHEQNSA-N 443.498 4.232 10 20 IICD Cc1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)c1 773215433 QQIAIVAUDCTSSV-UHFFFAOYSA-N 449.364 4.107 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)N3CCCN(c4ccc(OC)cc4)CC3)ccc21 774108685 DDFSIGDFLUHIDR-UHFFFAOYSA-N 436.556 4.129 10 20 IICD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 775261629 WOCGFPXIGCEOET-IRXDYDNUSA-N 435.524 4.150 10 20 IICD CC[C@@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cc(Br)ccc1O 775565067 CPLYUIYTGCTCPJ-RDTXWAMCSA-N 426.376 4.366 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCc3ccc4ccccc4c3)cc2)C1 775666487 ZCVIHXJJXFCPEX-DEOSSOPVSA-N 429.564 4.181 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3cc(Cl)cs3)SC2=S)c1 778248437 PUJJOGKBFNRFBM-ZSOIEALJSA-N 445.012 4.058 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781350915 NRMFIBSCPIUJMS-LJQANCHMSA-N 445.432 4.206 10 20 IICD COC(=O)c1cc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc2o1 784057972 IQUNGNSTENZXDS-UHFFFAOYSA-N 435.480 4.106 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 784312036 JJKOOSCRCLIMNJ-UHFFFAOYSA-N 448.485 4.403 10 20 IICD Cc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)c(C)c1 792038015 HEZXBDHAGWZIQR-HXUWFJFHSA-N 425.548 4.103 10 20 IICD CCn1ncnc1CNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 792878652 BASVORHAQVMVQG-GOSISDBHSA-N 446.477 4.293 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)s1 797150515 OCUYTIMBAIPELA-UTLUCORTSA-N 445.358 4.022 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](c4nccn4C)C3)cc2Cl)C1 799994972 SUJLLIAHHJXODP-MJGOQNOKSA-N 429.996 4.399 10 20 IICD CCc1ccc(C(C)(C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807564771 ZEKKVITVYVVDTR-UHFFFAOYSA-N 434.536 4.170 10 20 IICD COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)=O)cc1 808489268 KHSMTKPSBAJXBG-JXAWBTAJSA-N 429.472 4.435 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c4ncccc34)n2)cc1 906375921 WMZLZHMNGCGLBI-UHFFFAOYSA-N 439.518 4.254 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCO4)SC2=S)c1 913517274 DAZZDAYFXHWFBU-APSNUPSMSA-N 432.910 4.433 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 917115543 LKQJFQCOVOPQCV-VWLOTQADSA-N 441.531 4.159 10 20 IICD C[C@@H](NC(=O)NCCCCOc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920869557 SGYJYAYSMDBTCQ-GOSISDBHSA-N 431.964 4.396 10 20 IICD Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4cc(Cl)ccc4Cl)cs3)cnc21 1255243429 QKNGUGWGQFUILW-UHFFFAOYSA-N 440.337 4.199 10 20 IICD CCOc1ccc(N2CCN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)cc1 1320360858 ZKRVQHBCKIVWDR-UHFFFAOYSA-N 429.446 4.283 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4nnc(C(F)F)n4c3)cc2Cl)C1 1327056446 SKMQTIGEMAZUMZ-ZDUSSCGKSA-N 433.890 4.487 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1337116469 VSTXQDRFYXWHSJ-MRXNPFEDSA-N 428.920 4.282 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3CCC=CO3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789503784 CNRLVBFXNJCFNY-LJQANCHMSA-N 442.899 4.192 10 20 IICD CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 8760808 SODWKIKXRWCKIH-IWIPYMOSSA-N 430.504 4.306 10 20 IICD COc1cc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC 16974878 IMTKZIMEERFQGM-UHFFFAOYSA-N 426.557 4.294 10 20 IICD Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c(C)n1-c1ccc(F)cc1 25299849 HLYYCAZGMBMJHT-KRWDZBQOSA-N 446.486 4.277 10 20 IICD Cc1noc2ncc(NC(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)cc12 725738277 MVLFFFXGKAZWGH-OQLLNIDSSA-N 444.563 4.213 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4nccs4)c3C)SC2=S)cn1 726986502 QRJYECXZXLZLEJ-OQLLNIDSSA-N 428.564 4.360 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(Cl)s2)nc1-c1ccccc1 727249541 AIGCFYAYAOOATI-UHFFFAOYSA-N 428.944 4.041 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(CCN3CCOCC3)CC2)cc1)C1CCCCC1 729600971 HTNBFNPJIJXBDH-UHFFFAOYSA-N 442.648 4.099 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(C(=O)OCc2ccccc2)c1 730061795 XXYPRXYMZXMCBA-UHFFFAOYSA-N 445.519 4.202 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(CN4CCCC4=O)cc3)cc2)CC1 731049376 WRYUPHQZOZEHED-UHFFFAOYSA-N 434.584 4.045 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1COc1cccc(C=O)c1 731600547 HLXNJEDVPFFLLA-UHFFFAOYSA-N 444.531 4.187 10 20 IICD COC(=O)CN(Cc1csc(COc2ccccc2)n1)Cc1cc(Cl)ccc1O 732203099 PAGULWZJWFAZHB-UHFFFAOYSA-N 432.929 4.256 10 20 IICD Cc1nc(CN2CCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)oc1C 734274215 SLCIPZLVSFDEQU-UHFFFAOYSA-N 439.604 4.088 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 734407472 YFXWILFRBCWEBG-HXUWFJFHSA-N 434.367 4.289 10 20 IICD CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 739661144 PTYWPCIYZWWKKW-HXUWFJFHSA-N 443.459 4.379 10 20 IICD O=C(NC1CC1)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1 742423350 INBDSPMGOPOQOO-MRXNPFEDSA-N 446.454 4.169 10 20 IICD COc1ccc(/C=C\C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 742798976 FBRVDBKGUNTIQY-NYDKFZDJSA-N 432.467 4.104 10 20 IICD O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804683 AKCWUEXVTXJYDE-CQSZACIVSA-N 448.495 4.117 10 20 IICD COCCOc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743108596 LHENURYUQSMNSF-KRWDZBQOSA-N 435.471 4.104 10 20 IICD COCCOc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743122668 BPTQXGLPSBJWIB-INIZCTEOSA-N 435.471 4.104 10 20 IICD O=C(NCc1cccc2cccnc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743570157 VJXYNLCWRAFKIS-GOSISDBHSA-N 426.467 4.304 10 20 IICD Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 745646948 CPXKQFSXXADJBN-FYYLOGMGSA-N 425.548 4.448 10 20 IICD CCCCOc1ncccc1CNC(=O)N(CC)Cc1cc(Br)ccc1O 745779949 FTHQKQCBNNBJQO-UHFFFAOYSA-N 436.350 4.460 10 20 IICD CCCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1 746146953 IHUQTJRVFJCJGI-FQEVSTJZSA-N 427.564 4.142 10 20 IICD O=S(=O)(Nc1ccccc1SC[C@H](O)c1ccccc1)c1cccc2nsnc12 747324161 LPZLQBMIZYCIRQ-KRWDZBQOSA-N 443.575 4.318 10 20 IICD CCN(CC)CCOc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccc1OC 749005050 VFSYCOJBCVACEE-UHFFFAOYSA-N 440.588 4.120 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 749014301 HCHMEKADVBSKQQ-UHFFFAOYSA-N 431.540 4.132 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 750504122 MVBLOZVYGBMCNR-KRWDZBQOSA-N 442.947 4.211 10 20 IICD C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cc(Br)cc(Br)c1O 756400041 ADGSIJCFJFSGBJ-YMTOWFKASA-N 429.156 4.379 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3CCC(F)(F)F)cc2)C1 757243357 FCLMEWZAAPEWFF-GOSISDBHSA-N 448.489 4.205 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2ccccc2Br)C1 759592288 ZLLGJSGDXFTEEN-OAHLLOKOSA-N 442.404 4.171 10 20 IICD CCCOc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 760092572 MDBPCHMTZCDDTL-UHFFFAOYSA-N 426.444 4.081 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 768909847 BQKDZTDFYRAFMD-OAHLLOKOSA-N 438.455 4.048 10 20 IICD Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768914677 GEGRTVYECQOBFA-SFHVURJKSA-N 445.972 4.394 10 20 IICD C[C@H](NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 773614935 UVKNVLZMCZBZLV-XIGKFDRGSA-N 430.593 4.148 10 20 IICD CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773844775 GWEPHKRPOYTKIA-OAHLLOKOSA-N 445.585 4.005 10 20 IICD C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc(N(C)C)cc1 775403106 GLQDAINQHDBVJM-QGZVFWFLSA-N 429.520 4.159 10 20 IICD CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)c(Cl)c1O 775489942 ZEQPMJFIWKUMMT-IBGZPJMESA-N 436.383 4.328 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 776018319 VEAMHNYCGANFCM-SFHVURJKSA-N 447.379 4.043 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 777839050 YOSZJBUPKQUKLB-NRFANRHFSA-N 445.563 4.499 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 779332981 RIUIXIJYYAURGL-IVZQSRNASA-N 449.954 4.016 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 791245856 GJNIXHXPFMZZEL-UHFFFAOYSA-N 447.919 4.179 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(Br)cc1 791249346 FJAWRSQQDYGPDF-UHFFFAOYSA-N 447.373 4.380 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)c(F)c1 798155276 HLPKNUXRZZSDLZ-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 800762295 FRJSEXFLHGGLOC-VWLOTQADSA-N 444.579 4.422 10 20 IICD COc1ccc(N2CCN(c3nnc(Cc4ccc5ccccc5c4)n3C)CC2)cc1F 800765456 AYAQHVKCEJTBQK-UHFFFAOYSA-N 431.515 4.033 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1 802610068 SVGQDIRQWZMTQN-UHFFFAOYSA-N 433.508 4.134 10 20 IICD COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c(OC)c1 806170549 WAPHKRUYEFQSSR-SJCJKPOMSA-N 439.339 4.168 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C1CN(C(=O)OC(C)(C)C)C1 806425570 HOJAWJGAPUINSW-SFHVURJKSA-N 441.572 4.377 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 806464924 OIYXEHUWAJGQAZ-OAQYLSRUSA-N 441.576 4.247 10 20 IICD CN(Cc1ccccc1O)C(=O)C[C@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1O 809612835 BQDCWOXQOODPLD-HXUWFJFHSA-N 426.557 4.157 10 20 IICD COc1ccc(N2CCN(CCCNC(=S)Nc3ccc4ccccc4c3)CC2)cc1 915996107 GQRKXIUGEZISDT-UHFFFAOYSA-N 434.609 4.347 10 20 IICD C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456276 BNGRSQZVMKVWNH-CQSZACIVSA-N 442.865 4.279 10 20 IICD CCOC(=O)c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl 918053177 KXJMUKRWNAHYGX-UHFFFAOYSA-N 431.920 4.017 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)c1ccc(N2CCOCC2)cc1 1318838506 RDUHALKVNANWMT-YJBOKZPZSA-N 435.977 4.082 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CCC(F)(F)C2)C3)cc1 1845397659 CKRHNMWPZRXMRV-FQEVSTJZSA-N 441.522 4.347 10 20 IICD CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)cc1 511871467 IKZCBXLUSGBMOP-UHFFFAOYSA-N 435.549 4.027 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 726708643 FKIFGJVEKISZPZ-VXKWHMMOSA-N 445.510 4.476 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 726715068 HTEAHHFECIPVOB-UHFFFAOYSA-N 437.462 4.404 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 728513638 CNHUOGQOLWBOEO-UHFFFAOYSA-N 437.584 4.058 10 20 IICD CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CCCCC1 728513961 LXLRSAJHXGGIIC-HSZRJFAPSA-N 434.646 4.407 10 20 IICD CNC(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)cn1 728599530 GZJGCKVORVRYRE-UHFFFAOYSA-N 449.511 4.364 10 20 IICD COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 731059127 VKLVQWGDIMATNC-UHFFFAOYSA-N 440.930 4.290 10 20 IICD COc1ccc([C@@H](CNC(=O)CN(C)Cc2ccccc2O)c2c[nH]c3ccccc23)cc1 731843535 OORNWLUUXONGEN-HSZRJFAPSA-N 443.547 4.262 10 20 IICD Cc1cc(Br)ccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 732242741 HWPIDRBPIOJMKG-INIZCTEOSA-N 432.362 4.155 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 732911182 ZHZMJQHNXTXNPU-UHFFFAOYSA-N 439.902 4.490 10 20 IICD O=C1[C@@H](NCc2cccc(Br)c2O)CCN1c1ccc(C(F)(F)F)cc1 733800442 RFNRFOWWWGKEGI-HNNXBMFYSA-N 429.236 4.069 10 20 IICD CC(C)(C)NC(=O)c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735752935 LMEMBEDIVHKKMR-GOSISDBHSA-N 425.529 4.134 10 20 IICD O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 742423323 HMBPTTPTGHOHMC-AWEZNQCLSA-N 432.427 4.162 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 742602364 PNUOEWRMYBQAHM-YADHBBJMSA-N 445.604 4.050 10 20 IICD C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745647614 MMUPHDLJLCXOME-HJPURHCSSA-N 429.511 4.219 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1Cl 746232953 ZIFSTJYJQWADHE-GDBMZVCRSA-N 449.382 4.256 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cnn(Cc3ccccn3)c2)cc1 746727155 CSYIGKUCUQZYTF-UHFFFAOYSA-N 430.512 4.220 10 20 IICD COc1ccccc1C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 747948766 HGCFXIHIFBKOCC-WMZHIEFXSA-N 425.573 4.159 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)ccc21 748674227 QOZIGPISWVUXBJ-UHFFFAOYSA-N 427.551 4.218 10 20 IICD CC(C)Cn1cnc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 749660341 GWUYDASOQAPHNQ-UHFFFAOYSA-N 447.405 4.287 10 20 IICD COc1cc(C)c(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1OC 751289449 BJXQRTQWXXRDHQ-GRSHGNNSSA-N 428.535 4.376 10 20 IICD COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)c1 751317899 IOJMGOHHMODBET-HNNXBMFYSA-N 440.521 4.066 10 20 IICD O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1ccc(N=Nc2ccccc2)cc1 753850424 LIDZVGHNJSTDIS-LEWJYISDSA-N 426.542 4.082 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1cncc(Cl)c1 754695399 TXCWCHPYSKXKCN-UHFFFAOYSA-N 436.765 4.483 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)c2)CC1 754884371 JHBYDWQNZSYQGV-UHFFFAOYSA-N 434.927 4.356 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)N2CCOCC2)cc1 756353081 XJZIOXZGWHJWQZ-LIRRHRJNSA-N 425.356 4.432 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 756429216 FQSSNURPPDFTET-ZDUSSCGKSA-N 425.407 4.007 10 20 IICD C[C@@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O 756517183 NUNKEKYKNCXVPX-YJYMSZOUSA-N 430.417 4.413 10 20 IICD Cc1ccc(O)c([C@@H](C)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 756590697 PIJFHKMZDVXYGQ-CQSZACIVSA-N 426.376 4.366 10 20 IICD CC[C@H](Cc1ccccc1Br)C(=O)NCc1ccc(N2CCOCC2)cc1 758159661 YPAVBNPVQJRZDP-GOSISDBHSA-N 431.374 4.171 10 20 IICD COc1ccc(Br)c(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 758840760 OAQAHUNXDGSRFP-UHFFFAOYSA-N 430.346 4.176 10 20 IICD CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 761835995 MTYZTVCSQWEADX-UHFFFAOYSA-N 436.898 4.196 10 20 IICD CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)cc12 762578904 NBLNTASLYGSEPT-UHFFFAOYSA-N 430.511 4.027 10 20 IICD Cc1oc2c(CN3CC(=O)N(Cc4ccccc4)C3)c(O)ccc2c(=O)c1-c1ccccc1 763320389 IZRVRZLRQBWWMR-UHFFFAOYSA-N 440.499 4.276 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765283298 YSKAYQRLERXGEK-IQGLISFBSA-N 449.549 4.495 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3ccc(N(C)C)cc3)c2)cc1 766020424 PFZQXFOAZWXGOH-SFHVURJKSA-N 439.581 4.413 10 20 IICD CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 767384067 YQZNBZWHDSMURX-UHFFFAOYSA-N 436.600 4.084 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(-c2ncccc2F)n1 768419967 BCKTUMQJLLIJLY-ZDUSSCGKSA-N 448.470 4.344 10 20 IICD CN(C)[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 768944572 CNKDNMOAUVBUNJ-NRFANRHFSA-N 425.470 4.074 10 20 IICD O=C(NCCc1cc2ccccc2[nH]1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 771204584 PNMLZZJFRWKFJL-UHFFFAOYSA-N 446.473 4.065 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)Cc3cc(C)nn3-c3ccccc3)CC2)cc1 773055204 RMHAAODGPYFXQK-FQEVSTJZSA-N 447.583 4.042 10 20 IICD COc1ccc(O)c([C@@H](C)NCc2csc(N(C(C)=O)c3ccccc3OC)n2)c1 775376712 YIESSKRQNDQIPD-CQSZACIVSA-N 427.526 4.401 10 20 IICD Cc1cc(CC(=O)NCCc2nnc(-c3ccccc3)n2C)c(C)n1-c1ccc(Cl)cc1 781982966 PTAFRYXLJYZEAM-UHFFFAOYSA-N 447.970 4.444 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(Cl)cccc4s3)cc2)CC1 786254645 GKBIDCONVSIVAM-UHFFFAOYSA-N 427.957 4.153 10 20 IICD Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c(C)n1-c1ccc(F)cc1 794249613 OOFLKVFJGDUIGB-UHFFFAOYSA-N 431.414 4.228 10 20 IICD COCc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(-c2ccccc2)s1 799320691 HCRODDUVYBAHLJ-QGZVFWFLSA-N 437.565 4.284 10 20 IICD Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCC2 803677180 IBGOPHNSVNWYCG-NRFANRHFSA-N 440.613 4.030 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 803773655 LQVFBVIRBDNZGU-KRWDZBQOSA-N 440.565 4.387 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(F)c3)C2=O)cc(OC)c1OC(C)=O 814294045 JGNQQXCMFQGQLO-NVMNQCDNSA-N 447.509 4.482 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 818784188 YLLAAYOAFBNAOF-UHFFFAOYSA-N 430.463 4.251 10 20 IICD CCNC(=O)COc1ccc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 914500257 NNESSYSVMZWPGW-UHFFFAOYSA-N 439.943 4.444 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)s1 916110377 IFHLTYMKVQMQNO-UHFFFAOYSA-N 449.535 4.162 10 20 IICD Cc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 916686582 NICWZZSHGNDNQM-UHFFFAOYSA-N 432.362 4.288 10 20 IICD COc1ccc(N2CCCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1 917087781 DZLNAHZTROGKME-SANMLTNESA-N 429.564 4.265 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 918020238 ZTUSWBKVTZWRAF-UHFFFAOYSA-N 430.478 4.303 10 20 IICD CCCCN(C)CC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918218967 AANWQGCJIWVDPP-BGYRXZFFSA-N 448.627 4.093 10 20 IICD CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220893 LNJQCELWZVCBCQ-UHFFFAOYSA-N 439.453 4.147 10 20 IICD C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918781075 HDEGKSNHKCEYSZ-FQEVSTJZSA-N 439.600 4.430 10 20 IICD CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cl 919790680 WYXHXYCJUOJFHH-HSZRJFAPSA-N 445.007 4.059 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919968979 ULVYKSAWZFMGSR-UHFFFAOYSA-N 439.556 4.396 10 20 IICD C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920881022 LBQUAPHBDYYESR-HXUWFJFHSA-N 444.531 4.010 10 20 IICD Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc12 920882811 ZPIILWXXXMEORJ-SFHVURJKSA-N 441.535 4.057 10 20 IICD Cc1ccn(-c2cccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)n1 1323282063 GQUJCXMHQPABOY-SFHVURJKSA-N 426.467 4.181 10 20 IICD CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1787659224 QHJBKUMSIKRUFZ-WUXMJOGZSA-N 438.524 4.387 10 20 IICD C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788426913 DGKDFKYSFICSJF-NTCAYCPXSA-N 447.491 4.245 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl 19180096 NAGBUCKGIZYHEN-UHFFFAOYSA-N 429.977 4.046 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 60349176 SVAGQDCRSRJOLT-UHFFFAOYSA-N 442.512 4.385 10 20 IICD Cc1cc(C(=O)CSc2nnc(Cn3cncn3)o2)c(C)n1-c1ccc(C(C)C)cc1 98079323 ROMALOGUKWPVKP-UHFFFAOYSA-N 436.541 4.215 10 20 IICD COc1cc(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(O)c(C(C)(C)C)c1 216475625 DKPNHBUWYBZQPM-UHFFFAOYSA-N 439.600 4.071 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OC(F)F)c(OC)c3)ccc21 590659449 XBTGJCWAGLNLLY-UHFFFAOYSA-N 432.467 4.445 10 20 IICD Cc1cc(CC(=O)NCCCc2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1 727490566 SRPYVSMDGOHFPJ-UHFFFAOYSA-N 439.991 4.357 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cc(OC)cc4c3O[C@H](C)C4)SC2=S)cc1 727860742 JWBQEWBJLVTCGA-LPXFMOJISA-N 427.547 4.429 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)cn2)n1 730605877 VHSKOYVAOGKUNM-UHFFFAOYSA-N 428.492 4.331 10 20 IICD CCCO[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 731116025 CWPSDAMEHWPRAM-IBGZPJMESA-N 443.510 4.033 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 734070174 CYHBKAHWKKLYQX-NRFANRHFSA-N 436.508 4.201 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(c2c[nH]c3ncccc23)CC1 734269576 GJQKAPPPUQIQQS-UHFFFAOYSA-N 435.597 4.205 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 734704044 XRGLBEXXMWNWNE-UHFFFAOYSA-N 435.499 4.034 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccnc4cc(Br)ccc34)cc2)C1 734835214 RUOHQZHKIVBUTE-INIZCTEOSA-N 439.357 4.311 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N=c3cc[nH]cc3)cc2)cc1 735877760 LHLVHQHIBKVRLE-VWLOTQADSA-N 430.552 4.135 10 20 IICD CC[C@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1 744424471 MESJZUCISNOEOE-DEOSSOPVSA-N 433.533 4.080 10 20 IICD CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 746776567 GUATUJQNKMUKPU-RTWAWAEBSA-N 431.964 4.039 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1F 746978112 KANCCNREUYJKGI-UHFFFAOYSA-N 445.336 4.403 10 20 IICD Cc1cc(C(=O)[C@@H](C)N(CCO)Cc2cccnc2)c(C)n1-c1ccc(OC(F)F)cc1 747661575 YLPXPCTZEOXEGH-GOSISDBHSA-N 443.494 4.156 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)c2C)c1 749355017 GQQWHWVJCCZARK-QFIPXVFZSA-N 448.489 4.014 10 20 IICD Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(Br)n1 755786676 BLFFKHVNNSOJLZ-SFHVURJKSA-N 432.362 4.040 10 20 IICD COc1ccc(-c2ccccc2)cc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 756891480 GNTWGXGAWMBNIP-HSZRJFAPSA-N 429.564 4.354 10 20 IICD C[C@@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 756948188 XZCJBDAHYGDGQO-HXUWFJFHSA-N 443.547 4.291 10 20 IICD C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 759713700 LCJTWIDSSVIKSF-VIFPVBQESA-N 431.505 4.093 10 20 IICD COC(=O)CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1cc(Cl)ccc1O 763853183 JVRNLGGNXACZFZ-UHFFFAOYSA-N 447.944 4.211 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 764559224 SBUQOIRORSDMRL-NRFANRHFSA-N 430.593 4.122 10 20 IICD C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1Cl 764929545 RTONHWYKXVEORP-AWEZNQCLSA-N 429.870 4.364 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)NCc3cccc(Br)c3O)cc2)c1 765728450 SQVIMTSCFTZBFR-UHFFFAOYSA-N 440.293 4.324 10 20 IICD CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 766492294 SEHSMUKAFZVHTQ-KRWDZBQOSA-N 442.535 4.026 10 20 IICD Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 766496492 PHBUUSJMFAEDTH-UHFFFAOYSA-N 426.479 4.376 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 775216577 GCTVQCRVTYMKLT-QFIPXVFZSA-N 427.976 4.411 10 20 IICD C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccc(N(C)C)cc1 776239626 QGVYRETZOVQZGY-SSKFGXFMSA-N 443.538 4.402 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 782793591 BVQKMPULOQFXNC-UHFFFAOYSA-N 437.544 4.173 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1 783482421 HBVNSVIWAZKIQH-SFHVURJKSA-N 432.524 4.432 10 20 IICD Cc1nc(Br)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058924 CDDPJOWVMASMHK-UHFFFAOYSA-N 431.334 4.039 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1OC(C)C 784060160 XHQFGBMILSYDKV-UHFFFAOYSA-N 425.529 4.369 10 20 IICD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 787159991 PNLDFYPAERQHEL-QFIPXVFZSA-N 431.964 4.347 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(O)ccc1C(F)(F)F 788648184 SYWCXERRQWCTGD-UHFFFAOYSA-N 448.363 4.196 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1csc(-c2ccccn2)n1 791249330 DZSHDJASEZPIPK-UHFFFAOYSA-N 438.553 4.207 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1CC 791249408 GILVNVNHABGAND-UHFFFAOYSA-N 427.545 4.090 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)s1 797151946 WIUJZFFGKSLRAE-OPRDCNLKSA-N 445.358 4.022 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 802609553 CXMJQCYEHJRTEA-UHFFFAOYSA-N 449.507 4.313 10 20 IICD CC(=O)NC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)CC1 802678150 TWHWCWKZSJLFPY-UHFFFAOYSA-N 434.588 4.114 10 20 IICD O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 804371278 DMLIQABKXBIWOF-UHFFFAOYSA-N 442.882 4.116 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2)CC1 805025352 QOUGWWIGOZPBEV-XMMPIXPASA-N 434.584 4.078 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](c1cncc(Br)c1)C1CC1 807252675 UBHLQNFTWFLGPF-HXUWFJFHSA-N 430.346 4.379 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 809196716 YBEJLBUUZPCJHU-GGAORHGYSA-N 437.559 4.227 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)n1-c1ccc(Cl)cc1 812276871 OCZMQULZKXMOMH-OAHLLOKOSA-N 441.881 4.278 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cccc(Cl)c34)cc2F)C[C@@H](C)O1 814311742 WQRYPPRETFOTHR-GASCZTMLSA-N 429.923 4.433 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccn1 914907109 QQSJZWMLCNPBRS-OAHLLOKOSA-N 442.313 4.436 10 20 IICD CN(Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 918780693 LBFIRQFTKOUXPM-UHFFFAOYSA-N 434.403 4.344 10 20 IICD Cc1nnc(CNC(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)n1C 1116231118 HZCKBNOJJQNGCA-SFHVURJKSA-N 446.477 4.118 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)cc1 1321452037 MJUCNFFVIKJXCA-UHFFFAOYSA-N 439.921 4.040 10 20 IICD COc1ccsc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844584781 QCYHAILUTGZSEO-UHFFFAOYSA-N 449.576 4.295 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccco2)cc1 1848224600 DGIWRKSTFNOQQX-ZEQRLZLVSA-N 431.536 4.135 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)CC2)cc1 110422009 FNHLHLPBXDFDJD-QHCPKHFHSA-N 439.556 4.228 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc21 484864966 ODFFSKIPFLZGMV-NRFANRHFSA-N 449.599 4.242 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(-c2cccs2)c1)c1ccc(N2CCOCC2)cc1 726293995 RHSYGCVGGUYEEF-QGZVFWFLSA-N 435.549 4.068 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)cc1 726726243 QIHHSWYLIKWOBV-UHFFFAOYSA-N 429.520 4.086 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 728468036 YDOXZURZAMLFFD-UHFFFAOYSA-N 437.584 4.310 10 20 IICD CCOC(=O)c1c(NC(=O)CNC(C)(C)c2noc(C)n2)sc(C)c1-c1ccccc1 729813937 GWIWXCHNJBQTIL-UHFFFAOYSA-N 442.541 4.055 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](COc1ccccc1)c1ccccc1 730902855 JAHXWZQXFVIGDK-VWLOTQADSA-N 431.536 4.143 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(OC[C@H]3CCCO3)cc2)C1 733334359 HXOFSKRKYRCFAF-JTHBVZDNSA-N 430.976 4.358 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)cc21 734740805 SSAKUWUNTDQKIH-UHFFFAOYSA-N 441.578 4.445 10 20 IICD Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1-c1ccc(Cl)cc1 735520177 XMMDORSKBZMWRO-FQEVSTJZSA-N 425.916 4.361 10 20 IICD Cc1cccc2c(CC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c[nH]c12 741180124 DLPOTYMSZCDYQF-UHFFFAOYSA-N 431.458 4.191 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741211967 LCECWERQDBXFCY-UHFFFAOYSA-N 436.577 4.389 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(Oc3cnccn3)cc2)SC1=S 743247874 CHZYWUGCXFPXMD-VBKFSLOCSA-N 429.523 4.115 10 20 IICD CCCN(Cc1ccccc1O)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 743870567 XWBYKDGNFAZKCQ-RUZDIDTESA-N 432.520 4.391 10 20 IICD CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COCc1ccccc1Cl 743870831 CNIOEILHVNZGEF-QGZVFWFLSA-N 428.754 4.208 10 20 IICD CCN(Cc1nc(COc2ccc(F)cc2)no1)Cc1cc(Br)ccc1O 743871196 WDEACNQWVFGNSR-UHFFFAOYSA-N 436.281 4.278 10 20 IICD CCc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 745905433 NYGVXIRRKKLTJL-JXFKEZNVSA-N 449.498 4.195 10 20 IICD CC(C)c1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 746194490 PAMQNNYGIZTRRG-QGZVFWFLSA-N 432.590 4.328 10 20 IICD O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1c(-c2ccccn2)nc2ccccn12 751307677 LDWDHOXKMDPWFD-UHFFFAOYSA-N 446.467 4.316 10 20 IICD C[C@H](NC[C@@H](CO)Cc1ccco1)c1cc(Br)cc(Br)c1O 756662278 ZSOGJUPLGGXOOK-QWRGUYRKSA-N 433.140 4.012 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2O)cc1N1CCOC1=O 756839158 DFLIYULGONXCFL-JTQLQIEISA-N 425.254 4.432 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(Br)cc(F)c1O 756851829 VSWVYRBIYFVRNQ-NWDGAFQWSA-N 448.296 4.258 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)c2C)cc1 757033523 UPVXOMAHTXZBDZ-JOCHJYFZSA-N 445.563 4.066 10 20 IICD COc1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 760514903 GEFFOQJZENWOQW-UHFFFAOYSA-N 427.103 4.271 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4cc(C)nc34)c2C)c1 763599134 ZSDQEMZNZJIRSX-UHFFFAOYSA-N 434.521 4.207 10 20 IICD Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(N4CCOCC4)cc3Cl)cn2)n1 765070471 JVALPRYRITVKHL-GOSISDBHSA-N 425.964 4.225 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1Br 765247052 ZZWJWKKWQVQMBN-HOCLYGCPSA-N 434.353 4.141 10 20 IICD CCOc1ccc(C2(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CCOCC2)cc1 765309697 VOBYKMKVYZQHEH-FQEVSTJZSA-N 442.575 4.460 10 20 IICD O=C1Nc2ccccc2C12CCC(N[C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2 765995349 UZKMUFUQGPGMKT-ABGUIGEDSA-N 439.987 4.432 10 20 IICD C[C@@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(N2CCOCC2)cc1 775676028 PCBQMUOLEOPREA-CYBMUJFWSA-N 442.409 4.217 10 20 IICD CC(=O)c1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(F)c1 777406635 GVNBHRJZNCPCPN-OAQYLSRUSA-N 443.519 4.090 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 777826717 RDMZMGWMPIVMNZ-UHFFFAOYSA-N 446.931 4.154 10 20 IICD Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc21 784062969 YJJIXYCGWNIVNX-UHFFFAOYSA-N 431.540 4.337 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ccc(S(C)(=O)=O)cc1 789891253 UNYBIDLDUXFKMU-UHFFFAOYSA-N 430.551 4.037 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1ccc(N2CCOCC2)c(F)c1 789891308 VHUHIDIOSDLULK-GOSISDBHSA-N 425.548 4.455 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C 792272805 HQXPNIYVUUTLPR-INIZCTEOSA-N 439.947 4.024 10 20 IICD Fc1cc(CNCc2ccc(C(F)F)cc2)ccc1N1CCN(c2ncccn2)CC1 792930063 WDTFKUDYXKDURY-UHFFFAOYSA-N 427.474 4.170 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CCC(F)(F)C1 797558244 NTJAOOFKCRKUEV-OJLMPMFISA-N 430.567 4.281 10 20 IICD O=C(NCc1ccsc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 802329308 FSGCMTQLECNKOX-HNNXBMFYSA-N 425.348 4.107 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 802610941 ZPZDADKAKLBCRA-UHFFFAOYSA-N 426.847 4.414 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804331651 RGLJHCKSICOEQC-HXUWFJFHSA-N 435.490 4.243 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2ncsc2c1 807566572 YBCQTKHDIZQERT-HNNXBMFYSA-N 435.505 4.001 10 20 IICD C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 815609714 QHUBKLFOMSKHEX-FOIQADDNSA-N 443.548 4.160 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1 916380036 ZGUIDLCXBGKBJT-UHFFFAOYSA-N 440.563 4.118 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 916438111 CZHGQHDTYHSIDE-BEFAXECRSA-N 433.474 4.167 10 20 IICD O=C1/C(=C\c2ccc(-c3cccs3)cc2F)SC(=S)N1CCCN1CCOCC1 917643376 GLUGRHMPIDHPJN-XMHGGMMESA-N 448.610 4.478 10 20 IICD CCC(C)(C)C1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918117246 JIIFPMXTWNLJHQ-QNGMFEMESA-N 428.621 4.183 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 918444643 UAWRJBUSESDNGH-UHFFFAOYSA-N 440.446 4.182 10 20 IICD CCOc1ccc(N2CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 1256035306 LEKAPXZERZBEHN-UHFFFAOYSA-N 446.376 4.369 10 20 IICD CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1789597665 ZRLNACDZNWPCBO-AWEZNQCLSA-N 446.931 4.312 10 20 IICD C/C=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2 1825042894 OGZZGAOGIAOATE-WRFKIARRSA-N 434.565 4.353 10 20 IICD Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc(Br)cc1 22707401 MCPBKLNSJMQDDV-UHFFFAOYSA-N 427.298 4.217 10 20 IICD Cn1ccnc1C(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1 301248834 OYKRTQUBXDZRPC-UHFFFAOYSA-N 445.454 4.473 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H](Cc1ccccc1)C1CC1 303937005 YBSTVJLQKLLTSQ-JOCHJYFZSA-N 447.501 4.363 10 20 IICD COCCOc1ccc([C@@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1OC 471613326 JHMYFTHZPGNUFI-QGZVFWFLSA-N 425.529 4.081 10 20 IICD O=C(Cc1occc1C(=O)N1CCc2c(F)ccc(F)c21)N1CCc2c(F)ccc(F)c21 498977876 ULCFQOOLWKXLGB-UHFFFAOYSA-N 444.384 4.171 10 20 IICD Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 728069255 YKGNDCVXEGXOGO-UHFFFAOYSA-N 427.492 4.254 10 20 IICD CCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 731058931 HSIOGAROEXRZSS-UHFFFAOYSA-N 427.551 4.448 10 20 IICD Cc1cc(F)cc2c1N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CCC2 731329691 ITRSKWUCRPGKJJ-UHFFFAOYSA-N 444.418 4.411 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F 731345965 OKBXNNUOUUPJID-UHFFFAOYSA-N 432.561 4.318 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)n(-c4ccccc4)n3)c2C)cc1F 731742921 MPLRLOHJNMTGJO-UHFFFAOYSA-N 446.482 4.470 10 20 IICD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 731855754 AJGCAHZVCMUJLT-OXQOHEQNSA-N 446.956 4.056 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c1 732296017 NMGXTAZZFAANCC-UHFFFAOYSA-N 446.912 4.248 10 20 IICD C[C@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Oc1ccccc1 733763368 RFINDLYPRLPPNJ-QLENYVDCSA-N 446.619 4.313 10 20 IICD COCCN(C(C)=O)c1nc(CN(Cc2ccccc2)c2ccc(OC)cc2)cs1 733793583 LPHZUWJVFSBSBM-UHFFFAOYSA-N 425.554 4.358 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc21 734739481 FAWFJUBZCAQMPO-UHFFFAOYSA-N 433.942 4.173 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cnc3ccc(Br)cn23)C1 742371286 OGHWNKCEUCHURK-KRWDZBQOSA-N 449.780 4.210 10 20 IICD O=C(CSc1nncn1-c1cccc(Cl)c1)NCc1ccc(N2CCCCC2)cc1 742476290 UBGKDVSPFZDHGE-UHFFFAOYSA-N 441.988 4.320 10 20 IICD C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Oc1ccccc1F 743677433 DGCAFLDXKIWUQR-JKSUJKDBSA-N 437.462 4.163 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745903919 KASFJBNNDPBAAN-CABCVRRESA-N 435.471 4.031 10 20 IICD Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 752365914 YCXJMKBRJHNCRP-HDICACEKSA-N 428.552 4.444 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3-c3ccccc3)cc2)CC1 755058137 DAYXRHAZLJDHCT-UHFFFAOYSA-N 428.536 4.240 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c(F)cc(Br)cc3F)CC2)cc1 755214023 UQOBYTFVWBXYKN-UHFFFAOYSA-N 425.273 4.088 10 20 IICD COc1ccc(O)c([C@@H](C)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 756431647 OESOIZOPKOJDKL-GOSISDBHSA-N 436.531 4.112 10 20 IICD CC[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1ccccc1OCC(=O)N(C)C 756431784 DZWXNPAJSIAPTN-KSSFIOAISA-N 435.362 4.424 10 20 IICD C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(NC(=O)c2ccncc2)cc1 759582657 VYAQZTWKVLEYKZ-OAHLLOKOSA-N 441.582 4.333 10 20 IICD CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 760399197 FVFOFZJGUJEFFG-OAHLLOKOSA-N 428.602 4.132 10 20 IICD Cc1ccc(-c2nc(CCN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)co2)cc1 761208664 LUJKXUWGTJMRCW-UHFFFAOYSA-N 425.872 4.016 10 20 IICD CSCC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nnc2ccccn12 764721078 HYOTWQARQJEORR-JXFKEZNVSA-N 446.020 4.364 10 20 IICD CCN(C)c1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765282596 VPGWCMFPIOJMNQ-FQEVSTJZSA-N 448.590 4.249 10 20 IICD Cc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1OC1CCOCC1 765296791 ZWKHLITUESXZCX-UHFFFAOYSA-N 435.318 4.343 10 20 IICD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 765841424 PRWQEIHFPLYKDC-OAHLLOKOSA-N 447.251 4.080 10 20 IICD Cc1cc(-c2nc(-c3c(Cl)nc4ccccn34)no2)ccc1NC(=O)C1=S=CC=C1 771351945 BNBUBCRXGREMCC-UHFFFAOYSA-N 435.896 4.229 10 20 IICD COc1cnccc1-c1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 771540576 BPWWTXUTNBAOFV-XNTDXEJSSA-N 444.563 4.036 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ccc4nnc(-c5ccsc5)n4n3)cc2F)C[C@@H](C)O1 772652220 XBUVYHKIYQJMKL-HUUCEWRRSA-N 438.532 4.218 10 20 IICD COc1ccc(N2CCCN(Cc3ccc(OC)cc3OCc3cccnc3)CC2)cc1 774854482 UVVDRTUQOWDCMX-UHFFFAOYSA-N 433.552 4.390 10 20 IICD Cc1cnc(N2CCN(Cc3cc(Br)cc(Br)c3O)CC2)s1 775706339 OOCNFIAQERVEHL-UHFFFAOYSA-N 447.196 4.004 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1cccc(Cl)c1O 776175292 KSNJNKBZWRFAFN-UHFFFAOYSA-N 427.932 4.090 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 779458176 BDOLKQRZFNMBCI-CYBMUJFWSA-N 445.317 4.291 10 20 IICD CCC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCN(C(=O)c2ccccc2)CC1 781150459 UOLWWGWQHBTGGD-NRFANRHFSA-N 449.595 4.033 10 20 IICD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788930483 UDSNVIXKBUQDGH-HNNXBMFYSA-N 434.367 4.429 10 20 IICD CCc1c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C 792492263 AGYQZSLHNORCKI-LJQANCHMSA-N 433.556 4.462 10 20 IICD COc1ccc(F)c2[nH]c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12 793346849 LQIIMYJFOFQLOL-UHFFFAOYSA-N 433.430 4.316 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Br)cn1 793409163 BXVMGGHLICKPNU-PBHICJAKSA-N 434.334 4.002 10 20 IICD C[C@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 794843386 WGSUSJLONOPOFG-BJOHPYRUSA-N 449.223 4.466 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cc2Cl)C1 800050548 XJSWSGIKILYEIB-PKOBYXMFSA-N 434.024 4.477 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1)C(F)(F)F 811785494 GSPRZSFWDAVWOV-LBPRGKRZSA-N 445.279 4.198 10 20 IICD C[C@H]1CCc2ccccc2N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822098274 FUXMYYATIWAQRX-AWEZNQCLSA-N 426.428 4.352 10 20 IICD C[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)C[C@@H](C)C2)C(N)=O 838629894 YWOFPSKISCVVDK-GQMJJGQPSA-N 442.563 4.027 10 20 IICD O=C(NCc1ccc(CN2CCCCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916216885 VWAFODYGQDTFGN-DEOSSOPVSA-N 437.584 4.269 10 20 IICD CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 916677553 VLKHDZYTFGNPHT-UHFFFAOYSA-N 442.535 4.093 10 20 IICD O=C(Nc1ccccc1-c1ccccc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295273 PNPLFUFKQNPRNK-NRFANRHFSA-N 430.504 4.206 10 20 IICD O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccc(N2CCC(CO)CC2)cc1 919969194 YDWZYUCYIKXDNQ-UHFFFAOYSA-N 448.563 4.216 10 20 IICD CN(c1ccc(CNC(=O)NCCc2nc(Cc3ccccc3)no2)cc1)C1CCCCC1 1345422356 DYFFEIPFPQWNLS-UHFFFAOYSA-N 447.583 4.471 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccnc(F)c2)C3)cc1 1800513027 YSKZWWLFGPMAHB-UADZTWIMSA-N 446.526 4.194 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCCC2)CC1 1826255575 FQUVTWMFKDGVDT-IBGZPJMESA-N 434.964 4.175 10 20 IICD Cc1sc2ncnc(SCCC(=O)NCc3ccc4c(c3)CCCN4C)c2c1C 116167150 VTSQVCBSBROHHK-UHFFFAOYSA-N 426.611 4.489 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC(F)F 207891645 XPSKWZGDONXKLX-GXDHUFHOSA-N 431.482 4.143 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3CC(F)(F)F)c2C)c1 303088906 COMCIUBQQYSULK-UHFFFAOYSA-N 441.504 4.340 10 20 IICD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCc2c(C)c3ccccc3n2C)n1 472243601 VFFKVYJEBKMIMA-SFHVURJKSA-N 426.542 4.167 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)ccc21 540540717 ASCWETIAAWDTON-GGAORHGYSA-N 428.479 4.443 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@H]1c1cccc(Br)c1 726610112 CJXRDSLWYUPSLU-PMACEKPBSA-N 446.414 4.358 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc3c(c2)OCCO3)cc1 728791197 BGUCPGANZOERFD-UHFFFAOYSA-N 425.476 4.285 10 20 IICD COc1ccccc1[C@@H]1CCCCN1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O 729985075 GKDVKDRAHBFTGR-DEOSSOPVSA-N 438.568 4.163 10 20 IICD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCCSc1nccs1 733883746 AZPJGNFIXNIRBN-IBGZPJMESA-N 425.579 4.303 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cccc3cccnc23)nc1-c1ccccc1 735916637 XKBQGLLAEWYGIT-UHFFFAOYSA-N 439.518 4.336 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)cc1 741136916 LNYBAHIMALCBKV-UHFFFAOYSA-N 429.523 4.130 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 742476359 YQVIEMDBQDZADJ-UHFFFAOYSA-N 435.955 4.470 10 20 IICD COc1ccc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 742798975 FBRVDBKGUNTIQY-NIUUYTMRSA-N 432.467 4.104 10 20 IICD CC(C)(C)n1ccnc1SCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804944 CTYXAFXIIFMYKD-OAHLLOKOSA-N 438.544 4.117 10 20 IICD O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1CCc1ccccc1 743278946 CAMKNEPWAMKPHA-RQZCQDPDSA-N 435.473 4.461 10 20 IICD Nn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1[C@@H]1CCCCO1 743455495 MRBWRDSJIFOKTG-SFHVURJKSA-N 437.529 4.380 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 743873038 GZWAAASLJBLUKH-KBXCAEBGSA-N 433.346 4.005 10 20 IICD Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 746728998 DFEKNESFSWESGY-INIZCTEOSA-N 434.462 4.037 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)cc1 746733172 OVQBGQGEDBLEMK-UHFFFAOYSA-N 425.573 4.423 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)c1 746798560 ZPBORVBHXXOFPV-UHFFFAOYSA-N 442.924 4.460 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 747417535 TUKKCQZNARFRJE-NBGIEHNGSA-N 435.568 4.187 10 20 IICD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 750517537 MOEDDJOXVLRVED-UHFFFAOYSA-N 445.435 4.046 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCC(=O)c1ccc(OC)c(F)c1 751392213 NOZPUBFCFZUOER-UHFFFAOYSA-N 438.293 4.314 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OCC(F)(F)F)cc3)CC2)cc1F 753864226 FOTPUCLTXBCYMQ-UHFFFAOYSA-N 427.398 4.130 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(C(F)F)c1Cl 755203071 RSEXPUXRYBBLTL-UHFFFAOYSA-N 439.915 4.086 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1 755838590 KIPIXEASHAXERC-UHFFFAOYSA-N 447.539 4.144 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H]1C[C@H](C)c3c(F)ccc(O)c31)CC2 756707400 ORQXQIFLLAILIU-KXBFYZLASA-N 442.531 4.052 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3C(C)=O)c2C)cc1 757500027 JSAQSLOXIBKIKS-UHFFFAOYSA-N 433.460 4.123 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 758055493 OEVQPHYWALVAIU-UHFFFAOYSA-N 448.571 4.065 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccn1 760306343 IVJHARQJZWMRBJ-XMMPIXPASA-N 448.592 4.232 10 20 IICD CN(CCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1 761375791 IIJDWCQOJNIVLL-SDXDJHTJSA-N 446.619 4.409 10 20 IICD CC(C)(C)c1nn(Cc2ccccc2)cc1CNCc1ccc(N2CCOCC2)c(F)c1 763453039 KFFDQWYBCWNDKD-UHFFFAOYSA-N 436.575 4.494 10 20 IICD CC(=O)OCCCc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 765394134 NHZUPUSXXYGNAZ-UHFFFAOYSA-N 427.570 4.057 10 20 IICD C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765645682 WFYQFQKFLCHTHP-HNNXBMFYSA-N 448.470 4.172 10 20 IICD O=C1/C(=C/c2ccc(OC(F)F)c(Br)c2)SC(=S)N1Cc1ccon1 768301992 GEBIXVFCVJYIPY-SDQBBNPISA-N 447.282 4.440 10 20 IICD Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1cccc(Br)c1 768377718 KYSZIVUWFVOASM-RTBURBONSA-N 435.387 4.203 10 20 IICD COCc1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 770881991 OFMQWZRVIQOCSU-UHFFFAOYSA-N 429.564 4.450 10 20 IICD C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(N(C)C)cc1 773027438 VYYDPLQMORWXHO-LBPRGKRZSA-N 437.853 4.497 10 20 IICD C[C@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc(N2CCOCC2)cc1Cl 777202195 RDASIPICCPCRMW-SFHVURJKSA-N 444.023 4.275 10 20 IICD O=C1/C(=C/c2ccc(Br)c3cccnc23)SC(=S)N1Cc1ccon1 777874856 HTXLFQCPCRWTJM-ZSOIEALJSA-N 432.324 4.387 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 777941381 SAHQCLPNYLFJSW-OAQYLSRUSA-N 434.367 4.366 10 20 IICD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784108212 GESYELWCBVSMDU-UHFFFAOYSA-N 443.569 4.231 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nnc2ccccn12 799860804 GSYDURHCWPEYMN-CVEARBPZSA-N 426.952 4.179 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CCn3cnc4sccc4c3=O)cc2Cl)C1 800049195 MOGXQXHOPHCRRB-HNNXBMFYSA-N 444.988 4.054 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2Cl)C1 800536349 OTZIBKFKNIFQLV-CQSZACIVSA-N 428.920 4.343 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3cccc(Br)c3)ccc21 802317798 CRDKOBKDSPZRGU-OAQYLSRUSA-N 445.357 4.130 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802550169 PAIXUXMHWBFQCF-UHFFFAOYSA-N 428.945 4.127 10 20 IICD CCCCC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 804093723 KNPXUMHJFBXIPR-XMMPIXPASA-N 437.584 4.218 10 20 IICD C[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(N2CCOCC2)cc1 804989751 QQXTXBSGOWUERO-CYBMUJFWSA-N 443.416 4.381 10 20 IICD Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 805167887 QMGNBXDUNBIRFP-VXGBXAGGSA-N 426.319 4.380 10 20 IICD COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)cc1Br 806739965 KZLWVZMIVWKMRT-CYBMUJFWSA-N 434.334 4.493 10 20 IICD C[C@@H](c1ccccc1)[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 806870278 OPZIOSXROKKBJQ-WOJBJXKFSA-N 433.552 4.183 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 810363282 MNUQQRXKKDBLQL-UHFFFAOYSA-N 426.856 4.101 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCCCN(Cc2ccccc2)C1 811844616 BXTLZGHJOGXBOH-IBGZPJMESA-N 441.959 4.112 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](c3ccc(C)nc3)c3cncn3C)ccc21 816319960 JMKMJJOJOZDWGB-XMMPIXPASA-N 432.524 4.288 10 20 IICD CCOC(=O)Cc1csc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 875366472 GAVDKFOCDRHYJF-UHFFFAOYSA-N 426.542 4.020 10 20 IICD COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 913075345 VLMHQWUBJZDBML-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1Br 914908204 YNTROJIGCJVZPM-UHFFFAOYSA-N 443.297 4.300 10 20 IICD CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccsc1 916437136 PTJLRFJNRUJMBK-LEWJYISDSA-N 431.602 4.227 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 916626448 ZBCVYWMSQIVZMX-UHFFFAOYSA-N 436.537 4.407 10 20 IICD CC(C)(C)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 918117736 QPCOSZCWWRJUSO-JTHBVZDNSA-N 436.600 4.365 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 918306247 XNEHTDUWDQBHJD-UHFFFAOYSA-N 440.563 4.258 10 20 IICD CCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 918573474 CBTDXIFZMSKCFW-UHFFFAOYSA-N 446.389 4.378 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4ncnn4c3C(C)C)c2C)cc1F 919273574 UMWDQULDSBLHRA-UHFFFAOYSA-N 449.486 4.142 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(N3CCOCC3)c2)cc1 919652645 CASUHIILFJDRGW-UHFFFAOYSA-N 434.540 4.417 10 20 IICD CCCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl 919664432 CVWKFJHKKSXQQH-UHFFFAOYSA-N 429.948 4.325 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 919822627 SVQAILPAEMLOPU-UHFFFAOYSA-N 439.537 4.001 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3nc(-c4ccccc4)oc3C(C)C)CC2)cc1 1320275639 PYXXAUSCQRQNPR-UHFFFAOYSA-N 448.567 4.026 10 20 IICD Cc1cc[nH]c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1794702439 JFSYSIAGOUPYCS-UADZTWIMSA-N 430.552 4.296 10 20 IICD Cc1ccc(Nc2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)s2)cc1 18245143 ORSDGEHNKNFVKY-UHFFFAOYSA-N 427.599 4.407 10 20 IICD CC(C)Cn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccccc1F 18357351 NIDHNMIBJGLXKC-UHFFFAOYSA-N 441.576 4.215 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1c(C)nn(C)c1C 26675984 JIPVGUOWXCLQQA-UHFFFAOYSA-N 448.390 4.414 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)cc1 110357499 AJGDXUGDHVKLPH-HNNXBMFYSA-N 433.346 4.010 10 20 IICD CC1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)cc2)CC1 301441290 OWKIKKFZJQGQLR-UHFFFAOYSA-N 427.492 4.201 10 20 IICD COc1ccc(O)c(CNC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c1 303545196 IRTFOVJXHFBHAQ-UHFFFAOYSA-N 445.313 4.376 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1OCC(F)(F)F 726564919 WMFMGFQZTAJBCI-UHFFFAOYSA-N 445.388 4.023 10 20 IICD COc1ccc2[nH]cc(CC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2c1 726567293 GUMGHXRLHOKITC-UHFFFAOYSA-N 429.467 4.106 10 20 IICD CCCNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726696266 ROFBRQJFEWXCFI-UHFFFAOYSA-N 446.498 4.218 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CC2)cc1 726697954 PEDMYVQIMSRLNV-UHFFFAOYSA-N 438.572 4.180 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)n1-c1ccc(F)cc1 726950124 JEZRQZKQECEUKQ-UHFFFAOYSA-N 441.453 4.110 10 20 IICD COc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 727102200 JTPRHTNJYOZYSD-RUZDIDTESA-N 443.547 4.083 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1 727947197 VFWRGIWIZWSPCY-UHFFFAOYSA-N 437.462 4.037 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4ccccc4F)C3)cc2F)C[C@@H](C)O1 730580815 UNYQNVDUJUPBAV-LMMKCTJWSA-N 429.511 4.278 10 20 IICD Cc1cccc(C(=O)N2CCCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)c1 731049707 LJBKAQVFIQAROP-UHFFFAOYSA-N 448.611 4.289 10 20 IICD O=C(Nc1nnc(Cc2ccccc2F)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 731115579 GNNUORLJVQIDSI-QGZVFWFLSA-N 442.516 4.187 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(F)c(F)c3)cc2)CC1 731121329 ROHIPYDPLBOQHP-UHFFFAOYSA-N 444.570 4.475 10 20 IICD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 731600463 AUSRCCHDEIHRSZ-UHFFFAOYSA-N 448.519 4.088 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(Oc2ccncc2)c1 732702302 XMSVZOVUFLGNIA-UHFFFAOYSA-N 436.487 4.296 10 20 IICD O=S(=O)(NCCCSc1nccs1)C1=Cc2ccc(OC(F)F)cc2CC1 733899913 QQJNLVXWPYYFKB-UHFFFAOYSA-N 432.539 4.133 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2C)CC1)c1ccccc1 734663549 PLKOXXLSCQYCTF-XMMPIXPASA-N 436.600 4.045 10 20 IICD CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735687987 WOHRWUSSUBORTO-OXJNMPFZSA-N 439.547 4.397 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1ccc(N2CC=CC2)cc1 741090951 SCKJADMPDWWDCQ-UHFFFAOYSA-N 435.528 4.184 10 20 IICD COc1ccc(N2CCCN(C(=O)c3sc(C)c(Br)c3OC)CC2)cc1 742566058 SJSVZNVYFYWPRW-UHFFFAOYSA-N 439.375 4.189 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cnc(C3CC3)s2)NC(=O)OC(C)(C)C)cc1 742751128 RSHOPTRIBKKTMQ-QGZVFWFLSA-N 430.574 4.082 10 20 IICD Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ccc(Br)cc1 746811857 NVOHZACTKWKQAM-UHFFFAOYSA-N 439.357 4.256 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC(OCc2ccccc2)C1 746843399 ACWAYAOJANKBLC-UHFFFAOYSA-N 430.495 4.368 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)s1 748835570 MMQAKVDKORRZHF-UHFFFAOYSA-N 433.580 4.362 10 20 IICD CC[C@@H](NCc1cc(Br)cc(OC)c1O)[C@@H](c1ccc(C)cc1)n1cncn1 756043784 BMGGXLQHTZCMGB-UYAOXDASSA-N 445.361 4.221 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCC[C@@H]3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 756526813 GRCQGIAIBLNQJB-RPBOFIJWSA-N 442.625 4.347 10 20 IICD C[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)cc(Cl)c1O 756765757 QXAXXCSJBZGZKP-UYHISHBKSA-N 431.802 4.227 10 20 IICD COc1cc(F)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 758627782 WAOLRJKRWOSDDI-GFCCVEGCSA-N 427.398 4.365 10 20 IICD CC(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C 760101657 WGXADSXQCCCYED-UHFFFAOYSA-N 435.446 4.375 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1cccc(F)c1)c1ccccn1 761650540 VPIKNVGQWCALQA-OAQYLSRUSA-N 425.847 4.134 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C1CC1 762985748 VIQUMUZITPKHCO-OAHLLOKOSA-N 429.540 4.153 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C2CC2)cc1 763626925 MTPLMYQCQZPPJO-OAQYLSRUSA-N 427.589 4.281 10 20 IICD CCOc1ccc(Oc2ccccc2NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 769617366 OTXXFPSRPZPKJM-UHFFFAOYSA-N 442.493 4.207 10 20 IICD CCOc1cc(C)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769712976 NHJCMZQDTRCQSU-UHFFFAOYSA-N 432.523 4.214 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)c2)CC1 770148129 OZZWEJRROKKFLM-UHFFFAOYSA-N 446.526 4.472 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 772632320 YLUDAZZFNPNEKI-QHCPKHFHSA-N 427.508 4.220 10 20 IICD C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N2CCCCC2)cc1 772956041 VDHKMWILFDPBGU-NRFANRHFSA-N 441.641 4.428 10 20 IICD CC[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)ccc1O 775533058 WEYYPLJMBUKUKP-INIZCTEOSA-N 438.753 4.308 10 20 IICD CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C 777652125 IPPGIRYIENIZRV-QGZVFWFLSA-N 435.565 4.296 10 20 IICD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783485154 HDYUBOAMVDDVDR-SFHVURJKSA-N 444.535 4.060 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 792695885 BEAIRHHFMXMJEW-UHFFFAOYSA-N 433.404 4.222 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)c1cnnn1C 795198015 RTYDVSUTJUMMBR-UHFFFAOYSA-N 434.363 4.072 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c(O)c1 797389938 GAKNDWOGRKYKRM-UHFFFAOYSA-N 442.924 4.460 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cc1)C1CCCCC1 803677794 TUWLEVBRDMCCJI-NFBKMPQASA-N 443.632 4.029 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 807180779 MGPUUNQEGCSIJG-UKILVPOCSA-N 433.596 4.163 10 20 IICD COCc1nc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)sc1C(=O)OC 807528335 NIHJVQOYYOFRGO-UHFFFAOYSA-N 433.917 4.389 10 20 IICD CC(=O)Nc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914037122 BYTFJUXRRCIMJZ-SFQUDFHCSA-N 445.591 4.327 10 20 IICD COC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914037791 WMMSRFWZLKQPAR-VBKFSLOCSA-N 446.575 4.155 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)cc3F)n2)cc1 914791094 JBDFJPMNPVQHRX-UHFFFAOYSA-N 437.543 4.430 10 20 IICD COc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)Cc2ccc(C(C)C)cc2)cc1 917089013 UNZWUWNMMWUOBC-UHFFFAOYSA-N 438.568 4.191 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 918309267 VPKYAQNNEAWXEM-UHFFFAOYSA-N 448.611 4.260 10 20 IICD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)cc1OC 919568785 MOPXRCVSVIKYJB-HNNXBMFYSA-N 428.510 4.357 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ccc4nnc(-c5ccccc5)n4n3)cc2F)C[C@@H](C)O1 919722083 VFMJGHJAFCMMLE-IAGOWNOFSA-N 432.503 4.156 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccc(Cl)s2)on1 919969302 TWRXDTVZEFUDKS-UHFFFAOYSA-N 431.945 4.195 10 20 IICD COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)c2C)cc1 920471864 GDHFPGYROJAXQN-STZFKDTASA-N 441.622 4.398 10 20 IICD CCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 920867291 RXUHLOXIUNCPMW-OALUTQOASA-N 441.572 4.442 10 20 IICD O=C(NCCOc1ccc2c(c1)CCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1318219298 VHVYMUIZHVKFAZ-UHFFFAOYSA-N 445.510 4.124 10 20 IICD O=C(NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1)C1=CCCC1 1788672579 UJBZLOTYFSXICU-UHFFFAOYSA-N 442.519 4.024 10 20 IICD Cc1[nH]ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797129882 JDVFVQVACWZUMT-UADZTWIMSA-N 430.552 4.296 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 10907139 KJSUTGJLPJPULQ-UHFFFAOYSA-N 438.531 4.406 10 20 IICD Cc1c(CNC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)n(C)c2ccccc12 471252908 XCRIAFASNZKYGE-UHFFFAOYSA-N 446.507 4.027 10 20 IICD CCOC(=O)c1csc(C2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)n1 472281120 YSNIXFFKYSPVOK-UHFFFAOYSA-N 440.569 4.209 10 20 IICD Cc1nccn1-c1ncccc1CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 726237919 VLAAMIHNUAHVNL-UHFFFAOYSA-N 432.572 4.344 10 20 IICD CCCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726601921 VLQLRJCHJJAGHH-UHFFFAOYSA-N 440.512 4.024 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 726609368 VDEYQCCUEUOHFM-UHFFFAOYSA-N 448.523 4.009 10 20 IICD COc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc(Cl)c1OC 727176902 SBCMGQIHTSSKPD-OQLLNIDSSA-N 429.007 4.146 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c1 728983948 HZUZVZSLCHCQMS-QWHCGFSZSA-N 441.553 4.046 10 20 IICD CN(c1ccc(CNC(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1)C1CCCCC1 732455461 MJJCTHBGYZGKJJ-QHCPKHFHSA-N 426.605 4.142 10 20 IICD C[C@@H](NC(=O)N1CCc2ccc(Br)cc21)c1ccc(N2CCOCC2)cc1 732883922 CINFZOQJSPTJBO-OAHLLOKOSA-N 430.346 4.119 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC1Cc2ccccc2C1 735258582 IWCOOEDOEJWMDV-UYRXBGFRSA-N 442.631 4.261 10 20 IICD CC(C)Oc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 735752899 IFLBKAJXTWROFH-QGZVFWFLSA-N 444.963 4.151 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 737804794 QRFZZSKNZMAZNZ-UHFFFAOYSA-N 446.498 4.374 10 20 IICD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 742654574 KHCCWQQWHZEVKU-UHFFFAOYSA-N 429.586 4.140 10 20 IICD C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@@H](C)S1 742767314 HWNFRYJGYPZIFB-WZVUHYRNSA-N 426.654 4.082 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl 742798354 MCKQSTIEQDZMJX-GFCCVEGCSA-N 425.819 4.248 10 20 IICD CCCc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c(C)c1C(C)=O 742798452 NULOWNWXHFHZJO-MRXNPFEDSA-N 433.499 4.478 10 20 IICD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 745841301 LVAIWONNXNXBMB-UXHICEINSA-N 443.975 4.405 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn(-c3ccccc3Cl)nn2)cc1 746772420 RJEXUBGKFAOFGE-UHFFFAOYSA-N 435.915 4.422 10 20 IICD COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 747858729 XWDXQOIJJBYDHE-ULQDDVLXSA-N 429.536 4.257 10 20 IICD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 747977472 CWPGUJRSJGXOFP-OAQYLSRUSA-N 439.556 4.300 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(Cl)ccc1OC1CCCC1 749355137 NGXVCFQUFJMCES-UHFFFAOYSA-N 448.972 4.149 10 20 IICD CC(C)n1c([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc21 749365932 DWUURNUSMDBPDK-XMMPIXPASA-N 433.600 4.479 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 750860144 YTFHVLKZMFGLSV-UHFFFAOYSA-N 444.578 4.236 10 20 IICD COC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)CC1 752844046 ISNFYPFPVVFLOC-HXUWFJFHSA-N 435.572 4.004 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1O 756546899 UTOBVRWWAYBAFX-ZDUSSCGKSA-N 431.385 4.378 10 20 IICD C[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(Br)cc1O 756851225 QAFJEBNZHKWTKY-CHWSQXEVSA-N 430.306 4.119 10 20 IICD COCc1c(Br)cccc1NC(=O)NCc1cccc(Br)c1O 765275453 HALHJIBMBVVCIO-UHFFFAOYSA-N 444.123 4.385 10 20 IICD COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765283283 YRFSFKLDUCTGMH-IBGZPJMESA-N 435.547 4.110 10 20 IICD Cc1c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 765332194 HNACPVFPXANRQQ-IAGOWNOFSA-N 425.964 4.478 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 765672319 WWCLQQZLYLSEBB-UHFFFAOYSA-N 430.904 4.197 10 20 IICD C[C@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccc(N(C)C)cc1 773017367 VTRYBWPKZDQYEF-UWJYYQICSA-N 441.576 4.012 10 20 IICD C[C@@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(N(C)C)cc1 776237501 AUUHTUZVXIZXLX-WBVHZDCISA-N 428.964 4.259 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](c3cccc(F)c3)c3cnn(C)c3)cc2F)C[C@@H](C)O1 779020222 KLEJEAUXSHDDQO-HOZJOUCCSA-N 426.511 4.191 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 779507372 ALUADZWBCDHUNS-UVTDQMKNSA-N 428.488 4.272 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1Cl 782896031 JODOMZMPDRQUFD-UHFFFAOYSA-N 444.915 4.132 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(OC)cc1Cl 782897219 WEOQYEKMYYRVLD-UHFFFAOYSA-N 446.931 4.363 10 20 IICD COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1Br 784058103 KXYWLYSJJOYLDR-UHFFFAOYSA-N 446.345 4.344 10 20 IICD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061664 RWRVFGGFMTZXND-UHFFFAOYSA-N 448.567 4.118 10 20 IICD Cc1ccc(CN2CC[C@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)C2=O)cc1 790691750 XONGPHODZQSDHY-QHCPKHFHSA-N 435.568 4.346 10 20 IICD COc1cc(Cl)c(Cl)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 792453753 OZEQUFOLJHEMPJ-UHFFFAOYSA-N 442.318 4.424 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1 792487625 HCMADLGGHOJXPZ-UHFFFAOYSA-N 439.947 4.246 10 20 IICD CN(C)c1ccc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)c(C(F)(F)F)c1 793061818 BWLLGFLGHVRISW-IBGZPJMESA-N 432.446 4.395 10 20 IICD Cc1nc(-c2ccccc2NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cs1 796715268 ZZUAIXUDVKIUJG-UHFFFAOYSA-N 434.565 4.314 10 20 IICD COc1ccc(CNC(=O)Nc2cc(Br)ccc2Br)c(O)c1 797612214 UJMBTBPPPVUWSI-UHFFFAOYSA-N 430.096 4.248 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 799238905 OJZSQACPIZKTOT-QHCPKHFHSA-N 449.507 4.137 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 800047965 VERPOHKJOAKQCK-UHFFFAOYSA-N 447.871 4.298 10 20 IICD CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1nc(C)cs1 804886078 KGJWJUNUOGZVDW-KSSFIOAISA-N 449.020 4.225 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccc(N(C)C)cc1 807674486 LREVXPBSSVTZLH-LJQANCHMSA-N 442.563 4.183 10 20 IICD O=C(Nc1cccc(C2OCCO2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 808852918 DLNQHJBUTQKTST-UHFFFAOYSA-N 433.455 4.124 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 808864500 SFBACVAWWFFXTO-FQEVSTJZSA-N 435.490 4.243 10 20 IICD CC[C@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O 810216329 SYGSLKKUTAHUNX-IBGZPJMESA-N 444.519 4.480 10 20 IICD COC[C@@]1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)OCCc2ccccc21 812476642 JUVADCVYOMMICP-AREMUKBSSA-N 438.568 4.351 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 812974365 ZXRAJVKWNQCPCQ-UHFFFAOYSA-N 437.544 4.030 10 20 IICD CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 817059292 SVGMJPFPIPVDDC-UHFFFAOYSA-N 436.581 4.204 10 20 IICD O=C(NCc1ccc(N2CCCC2)nc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915759464 DBQUCIIDEFHOCF-UHFFFAOYSA-N 428.496 4.352 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(N3CCCC3)c1)c2[N+](=O)[O-] 917698194 SSFVEOACIWTKOJ-UHFFFAOYSA-N 441.443 4.223 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918208893 JESBFEWXDNQBCO-JYJNAYRXSA-N 433.499 4.147 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(C(C)C)no3)c2C)cc1F 919248418 BCDPIYIVJSVUEQ-UHFFFAOYSA-N 427.476 4.407 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C 920234456 VJKFUQXRSMUXIP-UHFFFAOYSA-N 438.572 4.264 10 20 IICD Cc1cc(CCNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)c(C)n1-c1ccccc1 1118904984 PIIWSEQZWFOGDU-UHFFFAOYSA-N 447.560 4.262 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 1317865139 ZQBJEZFSGOESDT-UHFFFAOYSA-N 425.916 4.467 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(Sc2ccccc2)CC1 1319429286 ZVHHXCVZYCMLMS-UHFFFAOYSA-N 436.499 4.483 10 20 IICD O=C1N=C(N2CCCCC2)S/C1=C\c1cc(Br)c(O)c(Br)c1 229903438 PXUVDANJBOFRTN-WQLSENKSSA-N 446.164 4.373 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C)n1-c1cccc(Cl)c1 303807297 KOKNEWXSJBATRX-KRWDZBQOSA-N 435.911 4.205 10 20 IICD CCC1(CC)CN(C(=O)c2cn(C)nc2-c2cnn(C)c2)c2ccc(Br)cc21 444227992 SKEVMZZWMSNGPM-UHFFFAOYSA-N 442.361 4.301 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(CN4CCO[C@H](C)C4)c3)ccc21 486979024 VWEVLHLVHINNMX-LJQANCHMSA-N 449.595 4.055 10 20 IICD CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1 544834457 JMWHAVGNTRSMKI-UHFFFAOYSA-N 447.520 4.150 10 20 IICD CNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 725882085 SGVUHFPAXOTCOL-UHFFFAOYSA-N 426.314 4.469 10 20 IICD O=C(NCc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O 726098436 BNJPXZWGVRYZBF-UHFFFAOYSA-N 428.872 4.322 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)ccc1OC(F)F 727176769 OQHQJJKTXKOZIK-MHWRWJLKSA-N 444.569 4.476 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 727246170 JGMUAVXIWKXICV-UHFFFAOYSA-N 426.878 4.190 10 20 IICD Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)c1C 728527644 ZFGMZAMEBRQYIY-OAQYLSRUSA-N 434.565 4.260 10 20 IICD CC[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1 729677368 WWENJUYUVNGNQN-VBKZILBWSA-N 433.533 4.295 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2oc(C(F)(F)F)nc2c1 730382648 HXVNNFGHQIOXKA-UHFFFAOYSA-N 438.381 4.144 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)CC2)cc1 732249948 ZNDUOECENXBDTL-LJQANCHMSA-N 440.588 4.372 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(OC(F)F)c1 734179439 WPOYXOVDKHSIAE-OVCLIPMQSA-N 430.542 4.086 10 20 IICD CCOC(=O)c1c(NC(=O)CCN(C)Cc2ccon2)sc(C)c1-c1ccccc1 739932192 YEELDAQYMKUHPW-UHFFFAOYSA-N 427.526 4.349 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 741732714 IVVKDTKCNLXCEL-RUZDIDTESA-N 433.527 4.474 10 20 IICD CC(=O)c1csc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742748910 ANCHMTYHHYQFDH-GOSISDBHSA-N 431.558 4.013 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(-c2ccccc2F)c1 742800809 TVYNCZDBPHFWNI-INIZCTEOSA-N 430.430 4.012 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cs1 743046996 UVEJNDPTMBELGS-UHFFFAOYSA-N 432.907 4.252 10 20 IICD CC(C)c1ccc(N2CC[C@@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)C2=O)cc1 743339724 WPYLYVBGSYMRJI-GOTSBHOMSA-N 436.552 4.076 10 20 IICD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1c(O)ccc2c1CCCC2 743718117 ZINWMNDMHMGLNX-UHFFFAOYSA-N 445.544 4.026 10 20 IICD CCN(Cc1cc(Br)ccc1O)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 743871284 ZXGQURVUEOCANM-SFHVURJKSA-N 432.362 4.004 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(Br)c(F)c1 746516359 LUDFXJDUAGXQFT-UHFFFAOYSA-N 438.366 4.141 10 20 IICD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCc3ccc4c(c3)CCCN4C)CCCC2)c1 746811477 HRVIOPYFECTRDU-UHFFFAOYSA-N 440.609 4.089 10 20 IICD Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccc(N(C)C)cc1 747875007 WSAAFWKBRRLSKT-UHFFFAOYSA-N 441.373 4.307 10 20 IICD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 748444000 QHEZEYHZOCWLFQ-OAQYLSRUSA-N 437.540 4.150 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 750861806 IOIXKHDNYOGCLQ-UHFFFAOYSA-N 445.441 4.318 10 20 IICD COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1Cl 751135881 AKOKNDIPPCWJJA-CQSZACIVSA-N 446.352 4.078 10 20 IICD Cc1cnc([C@@H](N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)s1 754414115 RXEJGGPPXMNYCZ-QKKBWIMNSA-N 445.544 4.295 10 20 IICD O=C1/C(=C/c2cn(-c3cccc(Cl)c3Cl)nn2)SC(=S)N1c1cccnc1 754683420 BBYGUKQYJYCTNQ-AUWJEWJLSA-N 434.333 4.375 10 20 IICD COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc(Br)cc(Cl)c2O)C1=O 756741539 GIRFLDJYRVZRBQ-XHDPSFHLSA-N 439.737 4.273 10 20 IICD Cc1cc(NC(=O)/C=C/c2cncc(F)c2)ccc1N(C)C(=O)/C=C/c1cncc(F)c1 757708845 RILGGYSIXHIRQV-FCXRPNKRSA-N 434.446 4.391 10 20 IICD CN(c1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1)S(C)(=O)=O 758260590 MNQZOHYMRNOXKN-UHFFFAOYSA-N 431.558 4.155 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCc2ccc3c(c2)OCCO3)cc1 758894065 HIQQQWZUZFDAEA-UHFFFAOYSA-N 449.551 4.461 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 761753291 NLMUTOBKVDYIEI-UHFFFAOYSA-N 448.317 4.325 10 20 IICD CN(C(=O)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1)c1ccccc1 765726044 DRMASCNMBCZSGT-UHFFFAOYSA-N 439.309 4.361 10 20 IICD Cc1cc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3cnn(C(C)C)c3n2)c(C)o1 768899735 OMRUILCHOWZSHD-UHFFFAOYSA-N 434.496 4.273 10 20 IICD CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)OCC3 773769495 WMRANVIKODXEFC-QMTYFTJSSA-N 436.552 4.457 10 20 IICD C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1cccc(Br)c1O 775143880 CTPVCLRUGOVAQY-NSHDSACASA-N 442.151 4.424 10 20 IICD CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCCO2 775831350 QTSCCOIRVDWPLQ-BVZFJXPGSA-N 425.573 4.078 10 20 IICD CC1(NC(=O)OC(C)(C)C)CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1 780497409 XYABUYDIYNETKM-UHFFFAOYSA-N 440.540 4.208 10 20 IICD O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)C1 781527454 OAZLMJQITHZLHA-QFIPXVFZSA-N 448.629 4.038 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccc(N)cc1 783482871 LVYMERFNCNLMAT-CQSZACIVSA-N 428.414 4.416 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 783829968 OEFPATUUEKIZBD-UHFFFAOYSA-N 438.914 4.044 10 20 IICD CCCOc1cc(C)ccc1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O 785191496 CLRSILVEBDRNPE-UHFFFAOYSA-N 449.345 4.239 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3nnc(Cc4ccc(Cl)cc4)s3)cc2)CC1 786075323 VSMXUQWGBRWTJV-UHFFFAOYSA-N 441.988 4.063 10 20 IICD C[C@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 794843389 WGSUSJLONOPOFG-VFZGTOFNSA-N 449.223 4.466 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 796502857 FPCVADYFAUGLSF-UHFFFAOYSA-N 437.584 4.425 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2cccs2)[nH]n1 798248639 HVBDVRNMUVJACO-UHFFFAOYSA-N 426.542 4.140 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnc([C@@H](C)O)s2)c(C)n1-c1ccc(F)c(Cl)c1 798692162 VVJSGFONDDEGBJ-GFCCVEGCSA-N 436.892 4.436 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1C 799636716 WZPYEWYOXIMLBA-UHFFFAOYSA-N 429.567 4.238 10 20 IICD CNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800537214 OQKRGRJBLZBWNS-MRXNPFEDSA-N 444.963 4.023 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCN(CC(F)F)CC3)cc2Cl)C1 800720268 RJGUTWYPRZDHKE-INIZCTEOSA-N 428.955 4.059 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802759426 LHMOXNDMCABWOJ-VXKWHMMOSA-N 449.599 4.252 10 20 IICD CC[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1cc(Cl)cc(Cl)c1O 806138159 RWFPAXOZHCLSDQ-IBGZPJMESA-N 438.403 4.132 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3OCC(F)F)CC2)cc1F 806825117 YZRDIYSAVDZEPF-UHFFFAOYSA-N 443.853 4.486 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc2cccnc12 815582659 MCTFKDIWCDYRRH-UHFFFAOYSA-N 433.508 4.249 10 20 IICD C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCO)c2C1 914531434 RHYPYJMDZBCTIJ-ONZPZFSWSA-N 429.564 4.488 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1OC 915221632 CJACBVAVJXWKFV-UHFFFAOYSA-N 428.894 4.421 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2C)cc1 915269271 SLRURSDMQRLIND-SFHVURJKSA-N 437.584 4.213 10 20 IICD Cc1ccc(-n2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)c3c2CCC3)cc1 917385920 AURALHIMBJJZQU-UHFFFAOYSA-N 432.593 4.153 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(N4CCOCC4)s3)c2C)c1 920307448 HGBNPZVJMYMANE-UHFFFAOYSA-N 442.610 4.374 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(C(C)(C)C)cs1 1116001868 QBOHTINQDQHZLE-MRXNPFEDSA-N 430.618 4.210 10 20 IICD C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1318956229 XSWQBMMAUAYOKL-ZDUSSCGKSA-N 449.409 4.026 10 20 IICD CC(C)N(CCc1ccccc1)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1320750631 OAUNUNCOQGOLEU-OYRHEFFESA-N 441.591 4.009 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)c2C)cc1 27100313 QSAWNWIRFHSTKG-UHFFFAOYSA-N 441.553 4.042 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccccc2S(=O)(=O)N(C)C)cc1 30657786 IDKJPCVLZIFEMS-UHFFFAOYSA-N 437.609 4.253 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 303103261 IPKHVVVMMARBJH-UHFFFAOYSA-N 430.504 4.360 10 20 IICD COc1ccc(N(Cc2ccc(S(=O)(=O)N3CCCC3)o2)Cc2cccs2)cc1 303151074 MRUVJVHFBBHHFR-UHFFFAOYSA-N 432.567 4.341 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)ccc21 486691277 ZWGPDQSCGTZGNF-UHFFFAOYSA-N 439.600 4.015 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n(C)c2ccccc12 577092016 DKMUTJZQNRFFRR-SFHVURJKSA-N 426.520 4.042 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 726290777 NQDYRCMURURGEB-UHFFFAOYSA-N 429.520 4.019 10 20 IICD O=C(COC(=O)c1cccc(-n2cccn2)n1)Nc1ccc(N=Nc2ccccc2)cc1 736933220 GCDKNRXVBWUYTR-UHFFFAOYSA-N 426.436 4.478 10 20 IICD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 741212415 OUMCIOXSKWYREP-QFIPXVFZSA-N 428.621 4.103 10 20 IICD COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 746759179 RATSHNMMNYKICD-NRFANRHFSA-N 429.536 4.258 10 20 IICD Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C2CCCCC2)n1 749325499 UUFOLWUEANCQJC-LJQANCHMSA-N 430.980 4.221 10 20 IICD C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1Cc1ccccc1 751098366 GINKTXJOZVGFOY-AGILITTLSA-N 437.584 4.136 10 20 IICD CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)n2)cc1 751590940 LGDRYPMTVYNFDD-INIZCTEOSA-N 432.571 4.066 10 20 IICD CCCc1c(C(=O)N[C@H](C)c2cc(OC)ccc2O)cnn1-c1cc(F)c(OC)cc1F 752595130 AMLZUSGQBDCOJB-CYBMUJFWSA-N 445.466 4.317 10 20 IICD CCOC(=O)c1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc(C)c1CC 752712505 ULZPMRYPWQXTSB-UHFFFAOYSA-N 445.585 4.296 10 20 IICD C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Br)cc(F)c1O 756362788 CVFGQCAFGIHTFT-MRVPVSSYSA-N 433.203 4.206 10 20 IICD C[C@H](N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(Br)cc1O 756427623 BJNFHPBWMWXYQU-KGLIPLIRSA-N 433.346 4.224 10 20 IICD C[C@H](NCCCc1nnc2n1CCCCC2)c1cc(Br)cc(Cl)c1O 756532508 COCJOXZRWFCHKH-LBPRGKRZSA-N 427.774 4.409 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(Cc2ccccc2)CCCC1 758380227 GDQUIPJLOWBZHB-UHFFFAOYSA-N 425.548 4.142 10 20 IICD CC[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O 761089975 GOYWGZTXRVJDBE-NPPFBWRTSA-N 439.531 4.355 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 765753850 QXXDMTUBQCXREL-UHFFFAOYSA-N 440.219 4.289 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)cc1 767358660 COXQBDYTKSLZQP-SXGWCWSVSA-N 435.368 4.297 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772588060 AEPLUBDHRLFKOP-BAGYTPMASA-N 445.485 4.070 10 20 IICD C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(NC(=O)c2ccccc2)c1 774864070 OMXUBMJJEJPAPL-FQEVSTJZSA-N 444.579 4.314 10 20 IICD CC[C@@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cc(F)ccc1F 775454637 MOBZSWLLYOKPCR-ZMPRRUGASA-N 449.517 4.075 10 20 IICD CSc1nnc(CCCNCc2cc(Br)cc(C)c2O)n1CC(C)C 776174668 QMZYKFKTWKZLGX-UHFFFAOYSA-N 427.412 4.155 10 20 IICD Cc1ncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1 777184737 FIIIMKVHJJZWEH-UHFFFAOYSA-N 429.423 4.142 10 20 IICD Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c(C)c(C)c1O 777651362 RVLCUNKDXVMSJS-OAHLLOKOSA-N 425.934 4.187 10 20 IICD O=C(N[C@@H](c1ccccc1)c1ccco1)C(=O)N(Cc1ccco1)Cc1ccccc1O 785552733 VSBGTQSDXYBUFT-QHCPKHFHSA-N 430.460 4.013 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1 787871228 IOLFURKPIXZYLV-IBGZPJMESA-N 425.573 4.156 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 788929381 UTKBYOJEHGHQEB-MRXNPFEDSA-N 435.490 4.387 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(COc2ccc(Cl)nc2)CC1 789036142 FTMVPRGZCYSYGR-UHFFFAOYSA-N 426.948 4.112 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 789590612 VRXFOYJQPSWSFZ-IBGZPJMESA-N 439.519 4.496 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(CN(C)C)cc3)sc2C)cc1 789727925 PHUCSYJQAPAABX-UHFFFAOYSA-N 431.583 4.380 10 20 IICD O=S(=O)(CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 790310982 JCHUCJLXWYHXGF-IBGZPJMESA-N 446.569 4.434 10 20 IICD COCC1(CNCc2cc(Cl)cc(Cl)c2O)CCN(C(=O)OC(C)(C)C)CC1 790652658 NNYRCHVWLKFCJY-UHFFFAOYSA-N 433.376 4.452 10 20 IICD CCOc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 793828342 LTBQNNKNOBQBMF-LJQANCHMSA-N 449.551 4.151 10 20 IICD C[C@@H](Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(N2CCOCC2)cc1Cl 797144683 XUMCCZNOXFYFKJ-OAHLLOKOSA-N 437.918 4.465 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 797194862 RWUGJPQCTMVYCB-INIZCTEOSA-N 432.236 4.256 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 798224314 DZCRZYOVHRSWEW-UHFFFAOYSA-N 441.912 4.198 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(c3nccs3)CC2)cc1 798509135 DTESNAYPHCREMH-UHFFFAOYSA-N 439.585 4.183 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1 800637076 SOMRSWZVALBOOS-MRXNPFEDSA-N 444.963 4.013 10 20 IICD COC(=O)c1c(F)ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C 810394117 YQFSDFYABSIGIC-INIZCTEOSA-N 449.482 4.236 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC1 812408434 JAAWDIUFWALANL-HNNXBMFYSA-N 443.345 4.086 10 20 IICD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCc1cc(Cl)cc(Cl)c1O 813682911 NDHXEKJJNLXDLW-UHFFFAOYSA-N 439.320 4.154 10 20 IICD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 914793372 JZUWZBCEPFFVGT-UHFFFAOYSA-N 427.410 4.121 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCc5sccc5C4)nc3)CC2)cc1 915698766 YKDZXZFEOVNVET-UHFFFAOYSA-N 449.580 4.069 10 20 IICD COC(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 915754953 ZDDKFKWCLMDCNW-UHFFFAOYSA-N 430.464 4.186 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3cc(Cl)ccc3Cl)cc2F)C[C@@H](C)O1 917152829 XLDRDHRATZNCGX-ZIAGYGMSSA-N 441.330 4.441 10 20 IICD CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 918185547 FYKITLVIAMFHGE-QHCPKHFHSA-N 426.630 4.122 10 20 IICD COc1ccc(Cl)c(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 920785054 CNGSOYDJFFQIKS-UHFFFAOYSA-N 425.916 4.054 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1F 1344110027 RSDQXEJKOUSBFL-UHFFFAOYSA-N 425.894 4.362 10 20 IICD C/C=C/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740898 WWSGDJWGWLHEJJ-SJGBXNLJSA-N 432.948 4.117 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CCCn3cccc3)C2)cc1 1846634380 QYNMRQFSFIQQGL-UHFFFAOYSA-N 444.579 4.193 10 20 IICD C[C@@H](Nc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccc(N2CCOCC2)cc1 301250585 RRQTYSISKWTXMF-LJQANCHMSA-N 428.536 4.294 10 20 IICD CCN(Cc1cc(Br)ccc1O)c1nc(O)c2cnn(-c3ccccc3)c2n1 301739087 WQSZGXUMNYEMRW-UHFFFAOYSA-N 440.301 4.016 10 20 IICD Cc1c(CNC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n(C)c2ccccc12 471229973 IWHQFGFBWYVOCX-UHFFFAOYSA-N 431.393 4.155 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(N4C(=O)CCCC4=O)c3)ccc21 473640131 HRKAOYSMYQEXLQ-UHFFFAOYSA-N 433.508 4.200 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(CCc2ccccc2)ccc1O 725879661 KSLKGJRNFJKGDV-UHFFFAOYSA-N 430.548 4.286 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(Oc4ccccc4)nc3)CC2)cc1 726615507 CAXCUQPQAXQMQC-UHFFFAOYSA-N 432.524 4.351 10 20 IICD Cc1cc(-c2csc(C(=O)c3ccccc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728062634 REEVBAZRYGVPFW-UHFFFAOYSA-N 437.546 4.096 10 20 IICD COc1ccc(N2CCC(NC(=O)c3c[nH]c4ccc(Br)cc34)CC2)cc1 728212381 XYDBVRAOHMRBRD-UHFFFAOYSA-N 428.330 4.338 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc(N4CCOC4=O)cc3)ccc21 728470852 RKFYRIUIIGNIPQ-QGZVFWFLSA-N 435.524 4.352 10 20 IICD CN1CCCc2cc(CNC(=O)CSc3nnc(-c4cccs4)n3C3CC3)ccc21 728471440 MVQYILONOCULRE-UHFFFAOYSA-N 439.610 4.132 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 728959147 GFJWNYAHXLGTNR-SFHVURJKSA-N 443.613 4.463 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 729039682 PVXBSYNTNSSIPE-QGZVFWFLSA-N 445.519 4.415 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2)CC1 731015408 WYWZTQJNEKHZOX-UHFFFAOYSA-N 425.617 4.404 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1F 732881511 PASYGBSNPIINHH-UHFFFAOYSA-N 435.565 4.317 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(=O)c2cc(Br)ccc2[nH]1 732959418 ZQQNMMSDZKDSPC-UHFFFAOYSA-N 440.341 4.211 10 20 IICD Cc1nn(C)c2nc(Cl)c(CN[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12 733334794 RHJSQHVNBVKOBY-QGZVFWFLSA-N 434.371 4.043 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 734406499 YDYDYGOWNOGCKC-UHFFFAOYSA-N 435.499 4.148 10 20 IICD Cc1cccnc1[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C 734525486 IDMBOOZFKBGPOY-KGVIQGDOSA-N 428.552 4.339 10 20 IICD O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 734843556 NYZGMPSWLFBTJQ-WIYYLYMNSA-N 437.462 4.209 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1OC 740605181 NUPYUZREVYROCE-UHFFFAOYSA-N 444.490 4.152 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)CC2)cc1 740926012 XQRKEEPOVOESJN-UHFFFAOYSA-N 441.528 4.147 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(Cl)cccc1[N+](=O)[O-] 744372287 CWIYKQVGOMYVNI-GFCCVEGCSA-N 425.819 4.248 10 20 IICD Cc1cc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c(C)n1-c1ccccn1 749101687 LEHVBZZFSMZXCB-LJQANCHMSA-N 449.555 4.356 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1SCC(F)(F)F 749731268 MHAGYGQTLBFUAP-UHFFFAOYSA-N 435.518 4.035 10 20 IICD CN(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCCc2ccccc21 751937605 RTHNSINQHVOLDF-OAQYLSRUSA-N 435.549 4.009 10 20 IICD CCSc1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 755276219 BLMVIQUMCFLFMV-CALCHBBNSA-N 432.561 4.247 10 20 IICD COc1ccccc1[C@@H](N[C@H](C)c1cc(Br)cc(F)c1O)c1nccn1C 756390477 IFSIJBZROGJLRP-KZULUSFZSA-N 434.309 4.476 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 756501813 HARFJIRVDCVCTH-QGZVFWFLSA-N 428.492 4.277 10 20 IICD Cc1nnc(O)c2c(NC(=O)CN(Cc3ccccc3O)[C@H](C)c3ccccc3)oc(C)c12 757277445 PYTQWHCPEYDAKE-MRXNPFEDSA-N 446.507 4.453 10 20 IICD Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 758499687 UOOZZHXOEXCVOE-NRFANRHFSA-N 425.529 4.351 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC([C@H](O)c4nccn4C)CC3)c2C)c1 760875843 OONXPXUOKGSVEI-VWLOTQADSA-N 434.584 4.073 10 20 IICD CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 762735963 QTNRIMBSIJDUNL-ZRBLBEILSA-N 431.621 4.427 10 20 IICD CCCOc1c(Br)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC 763279265 KDHQSRYVKPRRBK-GFCCVEGCSA-N 438.318 4.019 10 20 IICD C[C@H](NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N2CCOCC2)c(F)c1 764767324 IJZIHXGXHNSMEO-NJYVYQBISA-N 441.591 4.122 10 20 IICD C[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 768713882 SWPUWZITNJKLFR-LJQANCHMSA-N 441.547 4.114 10 20 IICD COc1cc(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc(OC)c1OC 769512869 UUDZFUFGKPEMAK-UHFFFAOYSA-N 439.600 4.021 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 773743658 GCZUYXWQOWMDEI-CYBMUJFWSA-N 432.929 4.077 10 20 IICD Cc1ccc(-n2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2C2CC2)cc1Cl 773760900 MQJPYGIVZLPLFN-CQSZACIVSA-N 425.916 4.484 10 20 IICD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn(Cc3ccccc3)nc1-c1cccnc1)CC2 774216468 CUCPHNFURHJNOS-UHFFFAOYSA-N 439.475 4.413 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 777826411 MUERFYUIHDZHHC-UHFFFAOYSA-N 449.290 4.098 10 20 IICD CC(=O)N1CC[C@H](NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccccc2C1 779020217 KGHNIFWSLYDHJL-RHGYRFJNSA-N 425.548 4.022 10 20 IICD CC(C)(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)Cc1ccc(Cl)cc1 782335715 MIGCXWSNQPJXNF-FQEVSTJZSA-N 442.003 4.317 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCC1=CCCC1 790823807 QTKNNGUWAJLGJZ-OQLLNIDSSA-N 438.368 4.304 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(OC(C)(C)C)cc3)cc2)CC1 793817314 PNPKWEPFXUUEFC-UHFFFAOYSA-N 437.584 4.033 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)c(Br)c(Cl)c1 794853003 IQAWTTUBRLPBIH-UHFFFAOYSA-N 441.728 4.350 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)s1 797150514 OCUYTIMBAIPELA-OPRDCNLKSA-N 445.358 4.022 10 20 IICD Brc1cc(NCc2ccc(N3CCCCC3)cc2)cnc1N1CCOCC1 798430678 IAVYQZMSBLQEDG-UHFFFAOYSA-N 431.378 4.283 10 20 IICD COc1cc(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc(OC)c1O 800572230 VVOZTTKRUNZIOK-HNNXBMFYSA-N 432.948 4.158 10 20 IICD CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1C 800635874 AGKVWADXSOIRQI-CVEARBPZSA-N 445.995 4.307 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 801947368 WHMAVZFZIJPIBX-DMJCMNNJSA-N 435.572 4.145 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 802029036 KQFMZAYPILKYQB-QFIPXVFZSA-N 425.529 4.022 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(C(F)(F)F)c1 803663735 YRYSERAPKKUVEE-IBGZPJMESA-N 439.453 4.040 10 20 IICD CN(C)c1ccc([C@H](CN[C@H]2CCO[C@H](C(F)(F)F)C2)NC(=O)OC(C)(C)C)cc1 806153945 BMJDMTLVUDJBBL-SZMVWBNQSA-N 431.499 4.018 10 20 IICD CC(=O)c1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F 806570402 YVCIFMKLJMPLOW-UHFFFAOYSA-N 439.409 4.205 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3Br)cc2F)C[C@@H](C)O1 814326867 DKYFXNICMLCPNB-BETUJISGSA-N 439.300 4.271 10 20 IICD C[C@@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1O 815659443 BYPBUBNBGTYLDA-GFCCVEGCSA-N 432.767 4.323 10 20 IICD O=C1/C(=C\c2ccc(-c3ccccc3F)s2)SC(=S)N1CCCN1CCOCC1 913514823 MQMIVYDHTZVFCT-XMHGGMMESA-N 448.610 4.478 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)C2CC2)cc1 914438863 UOVUBERUOPMSQS-UHFFFAOYSA-N 438.549 4.124 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c2cccnc12 917845807 GFHMUIYRPWVNAE-UHFFFAOYSA-N 433.461 4.446 10 20 IICD COC(=O)CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 917852983 DAAJYJMJUKNYKT-UHFFFAOYSA-N 446.550 4.170 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2nnc3ccccn23)c(C)n1-c1ccccc1Br 917958800 XJIFCJQECIUNSI-CQSZACIVSA-N 438.329 4.390 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)Cc3ccc(Br)cc3)CC2)cc1 918079726 LORQFAHRUZEWFC-KRWDZBQOSA-N 446.389 4.311 10 20 IICD COc1ccc2[nH]cc(C3CCN(C(=O)NCc4ccc(N5CCOCC5)cc4)CC3)c2c1 919910983 PQHCYCNUJOWYLZ-UHFFFAOYSA-N 448.567 4.102 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nc(-c2ccccc2)no1 1116162020 VDCNYWDZQJZFQF-UHFFFAOYSA-N 430.302 4.186 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1OC(F)F 1341476201 MYLPYXJYPGVSGB-HNNXBMFYSA-N 437.462 4.166 10 20 IICD CCc1ccccc1NC(=S)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 18918347 CRMMIIURCMFEIG-UHFFFAOYSA-N 429.380 4.398 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 303145684 QRIRLLDISZFCHR-UHFFFAOYSA-N 444.940 4.143 10 20 IICD COc1cc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1OC 726094946 QCDKKRSRBQYAJE-MRXNPFEDSA-N 440.496 4.484 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 726103202 LAFJDJTXQKPUEX-ICSRJNTNSA-N 432.609 4.368 10 20 IICD COCCOCc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726694460 CUZLVNREOKOALA-UHFFFAOYSA-N 449.498 4.242 10 20 IICD CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727490266 IQBGOKCBEIHMIH-DEDYPNTBSA-N 442.537 4.271 10 20 IICD COc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c(F)c2)c(F)c1 730536462 UTXZKXVBGKSTQE-UHFFFAOYSA-N 438.474 4.407 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 732704891 JDJQDPOLAMGUFX-UHFFFAOYSA-N 443.547 4.429 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CNCc3cc(Cl)ccc3O)c2)cc1 734510547 WYASRAHVAWNUOA-UHFFFAOYSA-N 432.929 4.145 10 20 IICD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 735384621 KHIIYJWFWUWQEX-YADHBBJMSA-N 441.547 4.199 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 737099398 GPGMZQDVGUDSCF-UHFFFAOYSA-N 425.838 4.214 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 741097735 XMQWZUQZMRLKKN-UHFFFAOYSA-N 439.943 4.293 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)cc2)CC1 741280451 VDFZYCAKPWRFKW-NRFANRHFSA-N 430.593 4.025 10 20 IICD CCSc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccn1 742755063 VGQVXOPWXKLZCC-IBGZPJMESA-N 444.601 4.255 10 20 IICD C[C@@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 742760073 HXZOVRQSKPZNLN-OAQYLSRUSA-N 437.584 4.018 10 20 IICD O=C(NC1CC1)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 743486075 XOYOLFNKAQVPEO-RXVVDRJESA-N 433.474 4.005 10 20 IICD C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2ccccc2[nH]1 745321298 JBMHKXFGCMVVGQ-GJZGRUSLSA-N 429.471 4.194 10 20 IICD COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CC2 745904120 LZHGBOIBYGSYET-GOSISDBHSA-N 431.483 4.033 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1 753946795 LMKVUVAPMWHACV-UHFFFAOYSA-N 425.529 4.445 10 20 IICD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 754551529 ILRBYGPVFIHHCU-UHFFFAOYSA-N 446.415 4.030 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3ccccc3NC(=O)OC(C)(C)C)CC2)cc1F 755955184 IONZJKPJHHTGPC-UHFFFAOYSA-N 443.519 4.073 10 20 IICD C[C@@H]1CCN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2S1 756334872 DHUXLHGDOOMUON-QUCCMNQESA-N 426.582 4.291 10 20 IICD CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1F 757195063 INIWLPMWHVDQOA-JOCHJYFZSA-N 427.545 4.399 10 20 IICD COc1ccc(Br)cc1C(=O)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 758915977 YMKXUYZHHLNYEL-UHFFFAOYSA-N 433.346 4.145 10 20 IICD CCOC(=O)C(F)(F)[C@@H]1CC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 760173090 VOLHJOLCCATGIL-ZBFHGGJFSA-N 432.458 4.214 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761102052 YPHVURFUCOWTMX-GFCCVEGCSA-N 426.822 4.460 10 20 IICD CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)NCCc2ccc(O)c(O)c2)n1 761654858 CAFARXMNHQCKDT-UHFFFAOYSA-N 430.892 4.364 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(OC(F)(F)F)c2)c1 763353828 OIYOSDWZFURLRA-UHFFFAOYSA-N 443.425 4.329 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(F)cccc1F 763552698 CDBUTZCFAWNLSB-ZDUSSCGKSA-N 428.401 4.240 10 20 IICD C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 765287079 NJVBRBLFSBKMKI-KRWDZBQOSA-N 447.982 4.128 10 20 IICD CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccc(F)cc2O1 765977067 PSHYXKJFMOUQJJ-JOCHJYFZSA-N 441.547 4.136 10 20 IICD Cc1cc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(Br)cc1 768946585 CCGDPFXYMYJJRV-SFHVURJKSA-N 447.373 4.315 10 20 IICD CC1(C)C[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C(C)(C)O1 778132802 MUHPCGIMWCDWDV-QKXCFHHRSA-N 438.640 4.192 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3scnc3c2)cc1 782425187 QNCQUSYDKYLFSB-UHFFFAOYSA-N 434.521 4.123 10 20 IICD Fc1cc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1N1CCN(c2ncccn2)CC1 782523408 VIETUZWXODHYDF-MSOLQXFVSA-N 437.485 4.153 10 20 IICD COc1cc(Br)cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O 783596686 ZVMGGBSTCWIQAM-ZDUSSCGKSA-N 434.256 4.216 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccccc1Br 791249337 FCCXDDKAVXCGMF-UHFFFAOYSA-N 433.346 4.451 10 20 IICD CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cs1 800050038 MCMNTHZPSXGDLR-OAHLLOKOSA-N 449.020 4.486 10 20 IICD COc1cccc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)c1OCc1ccccc1F 800865929 XMZXTHVGVPWNIY-QFIPXVFZSA-N 439.483 4.177 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 802610021 QCOMBCAAIXDSCT-UHFFFAOYSA-N 445.519 4.412 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3 808015192 GAILSJSCLUXLQW-AWEZNQCLSA-N 440.590 4.076 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc1 817113990 LANVLLBTUUGHFH-KRWDZBQOSA-N 428.558 4.065 10 20 IICD Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916835182 ISAAVIAREJAMIG-QGZVFWFLSA-N 435.490 4.357 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4F)on3)cc2F)C[C@H](C)O1 918139814 FCZDHRUUOXJHEF-GJZGRUSLSA-N 427.451 4.163 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 918374590 OQSLIPFWQUSIAF-UHFFFAOYSA-N 432.480 4.296 10 20 IICD O=C(COC(=O)Cn1cc(Br)cn1)Nc1ccc(N=Nc2ccccc2)cc1 919479745 DMXADEHKFIRONO-UHFFFAOYSA-N 442.273 4.243 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(Nc4ccccc4)CC3)cc2F)C[C@@H](C)O1 1115947357 BUWUSTQVNZXLHF-RTBURBONSA-N 440.563 4.225 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1SCC=C(C)C 1116646828 QUGFRQMLRKRITH-SFHVURJKSA-N 429.538 4.060 10 20 IICD O=C1N[C@@H](Cc2ccccc2Cl)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 1320770877 HQOHGWQZZFBFHE-IBGZPJMESA-N 449.885 4.073 10 20 IICD COc1cccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1O 237422409 SQSDZUFEFFYKIU-HSZRJFAPSA-N 425.550 4.300 10 20 IICD CN(c1ccc(CNC(=O)c2sccc2S(=O)(=O)C(F)F)cc1)C1CCCCC1 303333028 WXHVAHZYXGGMIW-UHFFFAOYSA-N 442.553 4.443 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)ccc21 486656246 VXHBPMTUTHKVEV-VWLOTQADSA-N 445.563 4.493 10 20 IICD O=C(NC1CC1)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])c1 726593736 ASOPPGARVZMODS-UHFFFAOYSA-N 446.454 4.169 10 20 IICD CC(=O)Nc1cccc([C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726613366 KYPUSGOIZMKWKF-OAHLLOKOSA-N 446.498 4.276 10 20 IICD CCOc1ccc(OCC)c(NC(=S)N(C)Cc2ccc(N3CCOCC3)cc2)c1 726899291 DVANSZZEUKRLOD-UHFFFAOYSA-N 429.586 4.149 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 728983108 UQEFEUPWFBJXSD-HUUCEWRRSA-N 436.468 4.368 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccc(C)cc3C)cc2F)CC1 730134181 RFJPBDSJJGKXFS-FQEVSTJZSA-N 426.580 4.487 10 20 IICD COc1ccc(O)c(CNC(=O)c2cccnc2Oc2cccc(Br)c2)c1 734016554 SLGKXKCSMZSLJR-UHFFFAOYSA-N 429.270 4.281 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)CC2)cc1 734937287 UUJJPHYERZYELV-HKBQPEDESA-N 443.613 4.487 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cccc(CS(=O)(=O)NC(C)(C)C)c3)c2)CC1 739598668 IYNVGVGAZNWVFD-UHFFFAOYSA-N 443.613 4.393 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 741673460 ZFUKSCUMSJEJGB-UHFFFAOYSA-N 431.989 4.418 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1 742172527 CMIGAIQXEVCUJA-XDHUDOTRSA-N 426.532 4.149 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)CC(=O)c3ccccc3F)cc2F)C[C@@H](C)O1 742557973 YFJJRBFKZZVCSD-YESZJQIVSA-N 430.495 4.104 10 20 IICD O=C(CCCn1cnc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801932 URFUXIOKAQVQFQ-QGZVFWFLSA-N 428.483 4.203 10 20 IICD O=C(Nc1cccc(-n2cccn2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743103035 PIWCZBNEWGKVHN-KRWDZBQOSA-N 427.455 4.264 10 20 IICD O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 743887936 RXUHQJGLMBLAQG-UHFFFAOYSA-N 443.459 4.340 10 20 IICD CCN(CC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1)C(=O)OC(C)(C)C 745788206 GYIJFQJJWJEYIJ-UHFFFAOYSA-N 444.620 4.248 10 20 IICD COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)n2)c1 745920534 VBMUYMBSAWZHOZ-QGZVFWFLSA-N 437.544 4.492 10 20 IICD COc1ccccc1C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 747948767 HGCFXIHIFBKOCC-XXBNENTESA-N 425.573 4.159 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 751302576 NNLBZXRUOMZACR-OAHLLOKOSA-N 431.883 4.041 10 20 IICD O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754547587 GCTVXGXZKWIQEW-UHFFFAOYSA-N 446.846 4.052 10 20 IICD CCN1CCN(Cc2ccc(CN[C@@H](C)c3cc(Br)ccc3O)cc2)CC1 756435185 XRJFVSXJHOUYHZ-KRWDZBQOSA-N 432.406 4.143 10 20 IICD Cc1ccc(O)c([C@H](C)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 756590695 PIJFHKMZDVXYGQ-AWEZNQCLSA-N 426.376 4.366 10 20 IICD C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)cc(Br)c1O 756795579 GHWLOWMLVJJHFB-QMMMGPOBSA-N 442.107 4.421 10 20 IICD CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 757621699 AIEFPOAOWAXXKV-WMZOPIPTSA-N 445.551 4.358 10 20 IICD CCCCn1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1CC 758096864 OOBNTNIBBCHGHD-UHFFFAOYSA-N 438.494 4.031 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)cc2)CC1 760953991 GEDRAWGFSUSVCN-UHFFFAOYSA-N 448.567 4.284 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(COCC(F)(F)F)no1 761462759 LHIOOEOXOIBVOI-YRNVUSSQSA-N 449.501 4.044 10 20 IICD COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 766237989 NUIWWVKTWDUYTL-AEFFLSMTSA-N 433.499 4.272 10 20 IICD C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]1c1ccccc1 769922675 KFMFJIZVDHEFEC-VLIAUNLRSA-N 428.535 4.088 10 20 IICD C[C@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccc(N2CCOCC2)cc1 770159059 OULSLFUDAGPRAC-SFHVURJKSA-N 429.520 4.011 10 20 IICD CC[C@H](C)n1c(SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnc1-c1ccccc1 773762143 FQVMFRDEEMVCFI-HOTGVXAUSA-N 440.569 4.167 10 20 IICD COC(=O)c1cccc(-c2nc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cs2)c1 775259476 USJFKEDANRCMSZ-KRWDZBQOSA-N 437.565 4.284 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC(c3nnc4n3CCCC4)CC2)c1C 775824270 PDDNTAYLNJOWDZ-UHFFFAOYSA-N 431.584 4.393 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)ccc3Br)c2)CC1 781045113 FBAPRNUSWWYJSN-UHFFFAOYSA-N 436.737 4.023 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 791251091 ZGAZRXJZLHKDDC-OALUTQOASA-N 430.495 4.457 10 20 IICD CN(C)c1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C(F)(F)F)c1 792773367 GMMOKGUUDSITJS-UHFFFAOYSA-N 449.473 4.351 10 20 IICD CNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)cc(Cl)c2O)c(C)c1 794840546 KIHHLGBIDWRXDE-NSHDSACASA-N 427.726 4.414 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 802028869 DFUGAMUYFPGBHF-HXUWFJFHSA-N 425.573 4.125 10 20 IICD CCN(CC)CCNC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1OC 802762166 WKMITKNCXPATCB-UHFFFAOYSA-N 440.371 4.391 10 20 IICD COCCC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 804975593 PZRMHMWPGIPKSD-OAQYLSRUSA-N 445.991 4.186 10 20 IICD C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 812718315 PMBIKASNPXYCMW-XXBNENTESA-N 431.621 4.021 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@](CO)(c4ccccc4)C3)cc2Cl)C1 813159212 XVQLXOTZSQAFGP-CLOONOSVSA-N 442.003 4.422 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC1CCCCC1 913962117 DOXKHNBTQQGIDI-XNTDXEJSSA-N 439.400 4.099 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 914850387 IZLZIYWJMQHRPE-UHFFFAOYSA-N 434.539 4.417 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 915147488 IFZFQYYHPAVDQX-UHFFFAOYSA-N 445.479 4.282 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2F)C[C@@H](C)O1 917708368 AOPIYMHJZAUQCM-ZIAGYGMSSA-N 443.500 4.492 10 20 IICD COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)c1 919566636 SXAMUYUDBNCPHT-HNNXBMFYSA-N 428.510 4.357 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 1116419216 AMHQWIOYLUMBKQ-UHFFFAOYSA-N 429.520 4.300 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)cc1 1319397450 OCYATNXVADZHST-UHFFFAOYSA-N 429.520 4.300 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(F)(F)Cl)cc1 1802605494 BAPQHMZLSVWAEK-GGPHIMKMSA-N 435.902 4.178 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C2(C(F)(F)F)CC2)C3)cc1 1845398693 RBAXOXJHYLSCPR-UHFFFAOYSA-N 445.485 4.254 10 20 IICD COc1cccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1OC(F)F 13262434 JKZVSQQTESKNKU-RAXLEYEMSA-N 431.482 4.143 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3cccc(Cl)c3)cc2F)C[C@@H](C)O1 108465990 JUNMYPSBACIFPI-CALCHBBNSA-N 449.954 4.313 10 20 IICD Cc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)c(C)n1-c1cccc(Cl)c1 110145548 YCFWPVBSWWCGIU-UHFFFAOYSA-N 429.992 4.322 10 20 IICD CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 303230523 XQHVDUQMCIUNRD-IBGZPJMESA-N 435.490 4.363 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 573009022 LYXXQNXCKAZRRH-UHFFFAOYSA-N 436.581 4.340 10 20 IICD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)cc1 614940335 NTHCWCFULGVGFO-QGZVFWFLSA-N 447.560 4.170 10 20 IICD C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567888 RQQMNMJTJFPKPK-INIZCTEOSA-N 430.495 4.329 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 726619490 ASGAWWZLPCFHCN-NHCUHLMSSA-N 444.373 4.282 10 20 IICD CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC 726626785 FXCVINRPGKMOGE-CPNJWEJPSA-N 442.562 4.379 10 20 IICD COc1cccc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)C2)c1 728219155 PSSNPQNBODFBQA-OAQYLSRUSA-N 448.567 4.345 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1C(N)=O 735607839 QVUDUELNNZFXED-UHFFFAOYSA-N 441.456 4.037 10 20 IICD COc1cccc(CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C2CCC(O)CC2)c1 741090683 LKOCSEPVEHLGCE-UHFFFAOYSA-N 435.568 4.087 10 20 IICD Cc1ccc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2n1 741180204 HWDDSEMFIUTAHF-UHFFFAOYSA-N 429.442 4.329 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cnn(-c2ccccc2)c1 741399143 DDXQCUYHORYWPZ-UHFFFAOYSA-N 445.445 4.049 10 20 IICD CC[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccncc1 741584943 HCRWCOAVJTXIBL-UDLNKVAWSA-N 431.608 4.392 10 20 IICD Cc1ccc(C)c(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742749471 HJUKSYNOGIYFJO-JOCHJYFZSA-N 425.573 4.294 10 20 IICD COc1ccc2[nH]cc(CC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2c1 742798718 CLYPHYKSSZAETB-MRXNPFEDSA-N 429.467 4.106 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1 743283036 UPWVWJZIPCTQOB-SQVRNEIYSA-N 427.547 4.437 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 743341335 RILYCACTRCYMOF-UHFFFAOYSA-N 431.492 4.299 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 746318913 WBLBGXUWDHUNAN-NTUVXCKYSA-N 441.547 4.021 10 20 IICD CN1CCCc2cc(CNC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)ccc21 746809318 VIVIWQJUWJVJJC-DEOSSOPVSA-N 427.548 4.247 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 747591934 UYCZANMULIJATD-UHFFFAOYSA-N 444.963 4.117 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cccc(COC2CCCCC2)c1 749730337 MENKYWJRFATXPW-UHFFFAOYSA-N 433.599 4.230 10 20 IICD Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751930325 CRDOXOYALCZPQK-CYBMUJFWSA-N 429.929 4.462 10 20 IICD Cc1cc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 752316683 MFQJRYHOPPAWMD-DEOSSOPVSA-N 426.561 4.256 10 20 IICD Cc1c(Br)cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 753664083 XOAABQVLPGJVNJ-INIZCTEOSA-N 449.301 4.193 10 20 IICD Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 753980599 BQMXOTQMUUDPJH-UHFFFAOYSA-N 430.960 4.035 10 20 IICD C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc(Br)cc(Cl)c1O 756430183 JELFLJAPDQRFOR-LBPRGKRZSA-N 441.753 4.126 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 762229349 USXDJZAVVXWUJZ-AWEZNQCLSA-N 437.418 4.004 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Oc1cccc(Br)c1 763279998 OYIKSWZGYOZDPM-CYBMUJFWSA-N 443.297 4.409 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)C[C@H](C)O1 765128892 XPYLVFUNYHLVRJ-ROUUACIJSA-N 442.535 4.106 10 20 IICD CC[C@@H](Cc1cccs1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765280957 MBXUAUNZVVFPSA-IBGZPJMESA-N 425.577 4.115 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 765282062 SFJZZSQEZGOLKA-AWEZNQCLSA-N 439.281 4.173 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3csc(S(C)(=O)=O)c3)c2C)cc1F 767054163 GEEJRJZFFZNFPB-UHFFFAOYSA-N 449.525 4.046 10 20 IICD CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)nnc1-c1cnccn1 768415275 XUYQBWJYSWQPOR-UHFFFAOYSA-N 432.553 4.446 10 20 IICD C[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c2c(O)cccc21 768665802 UWSCGNNEFHONGR-ZDUSSCGKSA-N 444.534 4.114 10 20 IICD Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1cccc(Cl)c1 769316950 QCYJNXKYVMUDMA-PKTZIBPZSA-N 429.992 4.245 10 20 IICD COc1cc(Br)cc(CN2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1O 769401287 FYJAGWLSYGGTFU-LJQANCHMSA-N 439.394 4.166 10 20 IICD CCO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 770261834 KTLPQIKIAZZQTD-IEGUWTFLSA-N 429.536 4.016 10 20 IICD CO[C@H](C)c1nc(CN2CCCN(Cc3cc(Br)ccc3O)CC2)cs1 770288417 KUWSNZDKLTXRQU-CQSZACIVSA-N 440.407 4.027 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 772153653 YTLFRBDBSRPMLD-MJGOQNOKSA-N 428.558 4.254 10 20 IICD Cc1nc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)sc1C(=O)O 779441027 ULIOQXLTWSSIFS-UHFFFAOYSA-N 448.342 4.250 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]2CCCC[C@H]12 782712490 QSBMXQWCRUKJKA-XFQXTVEOSA-N 425.495 4.262 10 20 IICD O=C(COC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(O)c(O)c1 783043602 VLLVWGSMFBQSEY-UHFFFAOYSA-N 447.237 4.072 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1SCc1ccccc1 785297996 SUADYXYWQKRVOC-INIZCTEOSA-N 436.533 4.076 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccc(N(C)C)cc1 787560752 WWRNRASIFWZYIH-CQSZACIVSA-N 440.450 4.034 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 789369738 KKIWNKMLDSNWMB-JENIJYKNSA-N 426.586 4.100 10 20 IICD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)sc2C1 789748279 QOCIWOAAJCXGRR-QGZVFWFLSA-N 442.629 4.490 10 20 IICD C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 792920811 CYIFKJDPMHXPHQ-OAHLLOKOSA-N 435.490 4.280 10 20 IICD NC(=O)[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1cccc(Br)c1 793265279 HKYXRZOIXAJKNW-OAQYLSRUSA-N 441.325 4.050 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1COc2cc(F)c(Br)cc21 799884655 QYMNZWJEHYRNAN-SFHVURJKSA-N 434.309 4.121 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCN(c4ccccn4)C3)cc2Cl)C1 799960919 UAWTVSIOOFECSH-HKUYNNGSSA-N 427.980 4.049 10 20 IICD CCCCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccccc1O 801596194 SHIIGHPXAONPGX-JOCHJYFZSA-N 426.557 4.375 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC([C@H]2CCOC2)CC1 802377777 PCNFIWZFRYHUJH-QFIPXVFZSA-N 449.599 4.252 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccc(N(C)C)cc1 803677260 KOHUEHMKXSMODZ-LJQANCHMSA-N 436.600 4.015 10 20 IICD COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(Cl)c(Cl)cc3O)C2=O)c(OC)c1 806170148 PAXITVJVWPXLKT-XIKOKIGWSA-N 439.339 4.168 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F 808525704 GEYXFCCPJDDAGC-UHFFFAOYSA-N 440.874 4.092 10 20 IICD COCc1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 811822744 LXWRHMXSECCBHT-UHFFFAOYSA-N 438.914 4.139 10 20 IICD COC(=O)c1cc(Br)cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 812511920 BSRZTWCGJCAZIH-UHFFFAOYSA-N 444.281 4.377 10 20 IICD C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCCNC2=O)cc1 813243086 VIUQBSNIBZNEAK-SFHVURJKSA-N 448.523 4.378 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 819756549 YAEUKTRYDLWZEX-UHFFFAOYSA-N 449.503 4.225 10 20 IICD COCCOC(=O)c1sc2nc(/C(Cl)=C\c3ccc(N(C)C)cc3)nc(O)c2c1C 916128357 XTUNCSDIDIEHNC-RVDMUPIBSA-N 447.944 4.311 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2cc(Br)ccc2[nH]1 917386263 ISKAUNGBXQBKKS-UHFFFAOYSA-N 430.371 4.414 10 20 IICD O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cc(Br)cnc1Cl 917846040 JRMBNDMWNCVMQY-UHFFFAOYSA-N 436.765 4.483 10 20 IICD CC(C)N(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918444120 MYBQMVDPXYCRCG-UHFFFAOYSA-N 435.528 4.146 10 20 IICD Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 248065255 QZETWIQUSOPLHH-UHFFFAOYSA-N 428.532 4.335 10 20 IICD Cc1c(CNC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)n(C)c2ccccc12 471613170 WFMKZHMDOCWAAM-UHFFFAOYSA-N 439.563 4.444 10 20 IICD C[C@H](NC(=O)N(CCc1ccccc1)Cc1ccncc1)c1ccc(N2CCOCC2)cc1 727032297 ISDIIFUDLSVCGX-QFIPXVFZSA-N 444.579 4.434 10 20 IICD CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F 727366939 VFDBRRQEUOGTDT-QFIPXVFZSA-N 429.511 4.181 10 20 IICD O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)Nc1ccc(N=Nc2ccccc2)cc1 728388321 PCMYIUKRPLECRY-IBGZPJMESA-N 434.452 4.392 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccnc(C3CC3)n2)c(C)n1-c1ccc(OC(F)F)cc1 732693580 GUSMVGGEWRLIJC-UHFFFAOYSA-N 441.434 4.403 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 734513003 CKOVFJLUTVBHBJ-UHFFFAOYSA-N 449.385 4.326 10 20 IICD COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(C)n(-c4ccccn4)c3C)CCC(=O)N2C)cc1 735777865 LAOXTVAHJJGLAA-CJFMBICVSA-N 447.535 4.264 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N=c2cc[nH]cc2)cc1 746200323 HVKZORYENWAGRM-UHFFFAOYSA-N 438.478 4.247 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 749182208 BILWEPAJWIWJNC-UHFFFAOYSA-N 434.515 4.486 10 20 IICD CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406330 OJNDXNLMEOVDJX-LECLMCCNSA-N 426.532 4.294 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCSCC4)cc3C)CC2)cc1F 753886126 PMUNQUKRSKNYFI-UHFFFAOYSA-N 444.576 4.050 10 20 IICD C[C@@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)cc(F)c1O 756737616 WGTRVAXDMBNSSZ-KUHUBIRLSA-N 435.337 4.178 10 20 IICD C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1O 756862247 CXFGSKQTYLNLDO-SCLBCKFNSA-N 437.418 4.161 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 757552860 ZIWPMCWLQQPEKG-UHFFFAOYSA-N 432.907 4.252 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 758693636 GNTLZCQZWFYVHT-UYAOXDASSA-N 430.593 4.122 10 20 IICD CCOc1ccc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 761072602 KSNSCXHQQHVIQR-JOCHJYFZSA-N 428.598 4.451 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 761657128 NNLIKSMVTHMNOS-UHFFFAOYSA-N 445.928 4.107 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 762669552 KMPVRPRAEVERIC-YHQOMNDMSA-N 435.927 4.247 10 20 IICD COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 766238043 OFTMLMXZVVHKCO-FUHWJXTLSA-N 433.499 4.272 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1Br 766335199 FJFRNMUJTQEEOZ-UHFFFAOYSA-N 438.753 4.156 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2nc(C(F)F)[nH]c2c1 771053523 NPFSVMXTHSMCBE-HNNXBMFYSA-N 434.874 4.254 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc(N2CCOCC2)cc1 773241989 CTOOWKRUWIJAGP-KSFYIVLOSA-N 447.938 4.160 10 20 IICD CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773846413 LPXDMZRQSMAVKD-AWEZNQCLSA-N 448.361 4.118 10 20 IICD Cc1cc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)c(C)n1-c1cccc(Cl)c1 775116307 SBCAUSJYABWJMW-UHFFFAOYSA-N 435.915 4.251 10 20 IICD C[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 775190114 JQDLUNSIOKEXOO-UZUQRXQVSA-N 435.955 4.489 10 20 IICD COc1cc(O)c(CN(C[C@H](O)COc2cccc3ccccc23)C(C)C)cc1OC 775647361 VRAISXYMIRWLBX-FQEVSTJZSA-N 425.525 4.213 10 20 IICD CCN(CC)Cc1nc(C2(NCc3cc(Br)cc(C)c3O)CCCC2)no1 776176126 ZKKITQDBYZKEJS-UHFFFAOYSA-N 437.382 4.247 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(Cl)c1C 785192739 OUDIEDVNWVDIJV-UHFFFAOYSA-N 425.710 4.104 10 20 IICD Oc1cc2c(cc1CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)OCO2 788969459 HZGKGSLMWUNIIU-SFHVURJKSA-N 427.298 4.352 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)c2c[nH]c3ccccc23)cc1 790069890 FSXOSNGOSSNVQG-GOSISDBHSA-N 433.483 4.346 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1Br 790415794 NCACUUIKLXBDRC-UHFFFAOYSA-N 435.137 4.280 10 20 IICD CN(C)c1ccc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c(C(F)(F)F)c1 793061820 BWLLGFLGHVRISW-LJQANCHMSA-N 432.446 4.395 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C2CCC(NC(=O)C3CC3)CC2)c1C 795954334 CAHBLRYFUOKQFS-UHFFFAOYSA-N 436.552 4.213 10 20 IICD Cc1cccc(F)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 799186889 JBMDYBFCQZHIBM-UHFFFAOYSA-N 431.514 4.252 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc3c2OCO3)nc1-c1ccc(OC(F)F)cc1 800925558 FOGSSMDBEUKVDA-UHFFFAOYSA-N 440.449 4.249 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(Cl)c(Cl)cc3O)C2=O)c(OC)c1 806170146 PAXITVJVWPXLKT-KZULUSFZSA-N 439.339 4.168 10 20 IICD C[C@@H](CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 807678770 JOXUYINKIVKRSR-HOTGVXAUSA-N 435.490 4.259 10 20 IICD CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807952951 RRBMWMIETUHPGA-UTKZUKDTSA-N 442.991 4.197 10 20 IICD CC(C)(C)OC(=O)NC[C@](C)(O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 809952950 HHIGUIKBLHHVSX-JPYJTQIMSA-N 447.601 4.097 10 20 IICD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc1 811262882 WAFLHDRYFOONBY-OAHLLOKOSA-N 442.471 4.164 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813801017 ZJPGNHRNZKZROD-IBGZPJMESA-N 430.593 4.216 10 20 IICD CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)ccn1 814160557 XQQOPODFGNTGJK-UHFFFAOYSA-N 441.491 4.288 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c(C)n1-c1ccccn1 914903337 KJSKDHWORSLIJT-KRWDZBQOSA-N 448.548 4.303 10 20 IICD Cc1cc(C)n(-c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2F)n1 916696414 HDUCIQDOEZFXJP-UHFFFAOYSA-N 437.519 4.129 10 20 IICD CN(Cc1ccccc1O)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 917312126 OLWVTKXGUZDVOH-UHFFFAOYSA-N 443.297 4.201 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)s1 918739698 KUSIHKRDYLHQJE-SECBINFHSA-N 443.522 4.148 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920871009 JJEHGBJXKDGMDZ-GCJKJVERSA-N 439.556 4.148 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CC2)cc1 1321435927 NJVIXTKKEPUBMN-GOSISDBHSA-N 433.556 4.130 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(Cc4ccccc4F)n3)CC2)cc1 1335132174 DAQNIQAYRZLAIF-UHFFFAOYSA-N 425.529 4.234 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1787271986 CUVYWEAWSJOXGA-UHFFFAOYSA-N 426.856 4.406 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC 195544497 HMXYKDPCRGMHCD-NRFANRHFSA-N 443.975 4.068 10 20 IICD Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2)n1 303103393 IMJJNIXZDCZVIX-SANMLTNESA-N 446.595 4.436 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1F 303373707 UBDOZNAQNCTLSX-UHFFFAOYSA-N 427.568 4.054 10 20 IICD CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 409696758 ORFYZZRZZXZWMM-MRXNPFEDSA-N 430.574 4.374 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 726725842 KRJIFXZXGOHLSZ-UHFFFAOYSA-N 443.975 4.197 10 20 IICD COc1cccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)c1O 727762491 LWCIEGHAYJUXPP-UHFFFAOYSA-N 434.323 4.369 10 20 IICD O=C(CCCSc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 731003937 UOOWAPOPYAOECS-UHFFFAOYSA-N 449.414 4.474 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCn3c(S)nnc3-c3cccs3)cc2)CC1 731053242 IQJQGLFNHIQUOR-UHFFFAOYSA-N 441.626 4.238 10 20 IICD COC(=O)CN(CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(Cl)ccc1O 731844482 CGDOUUKGJSLIDF-UHFFFAOYSA-N 445.730 4.356 10 20 IICD CC(C)n1c([C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)nc2ccccc21 733997719 ICTGBYCLRPHHNL-OAQYLSRUSA-N 433.600 4.179 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C2CC2)cc1 734392933 PTTHQXXEOFSZNU-JTHBVZDNSA-N 425.960 4.117 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)Cc3ccc(Cl)cc3)cc2F)CC1 737051087 XKPLDNPVVCNTOK-GOSISDBHSA-N 446.998 4.394 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(-c2cc[nH]n2)cc1 741067962 IZLSKBUFDSUJCQ-UHFFFAOYSA-N 445.445 4.254 10 20 IICD Cc1cnc([C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C2CC2)s1 741964087 GUEVTYZYMIVEPB-GOSISDBHSA-N 447.472 4.016 10 20 IICD Cc1cccc(C2(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)CC2)c1 742755123 WAMWIEFMVOCCCG-JOCHJYFZSA-N 437.584 4.475 10 20 IICD CCCC[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)Nc1cc(C)on1 743485760 UVTXZNUFPCKFBU-QFBILLFUSA-N 436.503 4.340 10 20 IICD CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 744379016 QCNXXFJQDJYMPD-UONOGXRCSA-N 438.505 4.116 10 20 IICD Cc1ccc([C@H](NC(=O)N(C)Cc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 745908742 OUWSBWOBFIOGAI-QHCPKHFHSA-N 438.549 4.035 10 20 IICD CN1CCCc2cc(CNC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)ccc21 746879936 KAUOYBFOXCYZJK-KRWDZBQOSA-N 432.351 4.045 10 20 IICD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 748627458 YBJLSYCMQUTOGP-YADARESESA-N 443.563 4.125 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cnn([C@@H]2CCOC2)c1 751587020 BFNVCDNYMOMJQS-LLVKDONJSA-N 445.353 4.076 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)c1 752191148 MFESDRJBDQKPHI-UHFFFAOYSA-N 433.536 4.238 10 20 IICD O=C1OCCN1c1cccc2c1CCN(Cc1ccc(OCc3ccccc3)cc1O)C2 753544485 LUCCCQKPXJRYBW-UHFFFAOYSA-N 430.504 4.486 10 20 IICD CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(-c5cccc(F)c5)cs4)ccc1c23 753691812 OMFTZOYUQKAFBD-UHFFFAOYSA-N 439.493 4.493 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 753878542 GFAWAFWIXRKBOC-UHFFFAOYSA-N 442.535 4.107 10 20 IICD Cc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(N2CCOCC2)c1 753904684 HMRHXGCBTHVUHC-UHFFFAOYSA-N 436.600 4.067 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3csc4ccccc34)cc2)C1 755208854 DKEOKWBERFVHDX-LJQANCHMSA-N 435.593 4.242 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 758415098 FAZAQKRNFIXWGY-VCRXTVNUSA-N 441.530 4.235 10 20 IICD C[C@]1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCS1 758605955 NBBUYNCVVBTQTH-DEQJRXDXSA-N 426.654 4.131 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1Br 759237002 BLYCTFZHKRABCV-UHFFFAOYSA-N 432.271 4.058 10 20 IICD Cc1nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2s1 761580088 SQGUCRUPMXCILF-UHFFFAOYSA-N 435.471 4.390 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc([C@@H]3CCc4ccccc43)no2)c1)c1cccs1 762069867 JXNVCBJKUIUHRC-MRXNPFEDSA-N 439.518 4.383 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCc4c(F)cc(Br)cc43)cc2)C1 765240787 BBMALBJRUNAWOB-YCRPNKLZSA-N 446.364 4.067 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](c1cccc(F)c1)c1ccccn1 765657210 GHCYSPSMOYPTIO-HSZRJFAPSA-N 436.556 4.363 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCc1cccc(Br)c1O 765736560 OMEQVTFTLXZRGO-UHFFFAOYSA-N 435.318 4.361 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)C2)c1 766437319 JKNPIEHJRWPNLE-ZWKOTPCHSA-N 445.991 4.123 10 20 IICD COc1cc(-c2noc(CN(Cc3ccc(N(C)C)cc3)C(C)C)n2)cc(OC)c1OC 768153996 AMPWSMQMWPFSTL-UHFFFAOYSA-N 440.544 4.239 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1-c1ccccc1F 768914560 FJFXTEZDPNAGFY-SFHVURJKSA-N 442.922 4.073 10 20 IICD O=C1/C(=C/c2cc(Cl)c3ccccc3c2O)SC(=S)N1CCCN1CCOCC1 774548058 UCKKTYJYRPFODR-AQTBWJFISA-N 448.997 4.122 10 20 IICD C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(N(C)C)cc1 775404636 ZPZFSAKJVLZTIX-INIZCTEOSA-N 434.989 4.370 10 20 IICD CC[C@@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)ccc1O 775546464 ITTIOEADRKMHEY-TZIWHRDSSA-N 433.390 4.352 10 20 IICD CN1CCCc2cc(CNC(=O)N3[C@H]4CC[C@H]3CC(N(C)C(=O)c3ccccc3)C4)ccc21 777727371 XZWKGASUNJLFKG-GOTSBHOMSA-N 446.595 4.046 10 20 IICD COC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccc(OC)c(Cl)c1 779179509 FHDYKGHONFSBJE-MRXNPFEDSA-N 428.710 4.129 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 781327392 FLKLZOZZRRIZPT-UHFFFAOYSA-N 444.531 4.334 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CN1CCc2ccccc21 784025397 CBJBQLMSXWJSFT-UHFFFAOYSA-N 443.547 4.332 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C)c1Cl 785194380 IOXCAGQCQODLIR-UHFFFAOYSA-N 425.710 4.104 10 20 IICD CO[C@H]1CCOc2c(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cccc21 790578097 WYKOPQADUVHSJA-DMPWYTOCSA-N 443.519 4.231 10 20 IICD CO[C@@]1(C)CCCN(Cc2c(O)ccc3ccc(O)c(CN4CCC[C@@](C)(OC)C4)c23)C1 794652941 BKEBEAVTNLNCSR-WMPKNSHKSA-N 442.600 4.253 10 20 IICD CC[C@@H](NCCCNC(=O)c1cc(OC)ccc1Br)c1ccc(C)cc1O 794809024 OXHWKRQSYZLADD-LJQANCHMSA-N 435.362 4.333 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CC2)cc1F 795160907 VIWOKTJHIWCKQC-ZWKOTPCHSA-N 438.421 4.185 10 20 IICD O=C(c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1)N1CCC[C@H](O)C1 796330554 KPLASDBSLPCSKN-SANMLTNESA-N 441.575 4.458 10 20 IICD O=[N+]([O-])c1cc(CNc2cc(F)c(N3CCOCC3)cc2F)ccc1N1CCCCC1 796529642 PJRXJXAYAUPSPG-UHFFFAOYSA-N 432.471 4.312 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 799033604 HLJGBQCOZCOTOH-QHCPKHFHSA-N 435.499 4.403 10 20 IICD CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1cccs1 802700974 CFHSRFUWSLVCLA-MRXNPFEDSA-N 429.565 4.376 10 20 IICD O=C(Nc1ccccc1)c1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 802839900 PWEBHIAJJZOEKB-QHCPKHFHSA-N 430.504 4.466 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1)c1ccc(N2CCOCC2)cc1 803309068 OKOYTDCYBWTDMM-NRFANRHFSA-N 449.595 4.062 10 20 IICD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 803686815 QUCPUTFASVWQEJ-CQSZACIVSA-N 434.367 4.212 10 20 IICD C[C@@H](NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 804400339 RZMCUSSVBSPWHT-OAHLLOKOSA-N 435.490 4.043 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C)c(Br)cc3F)CC2)cc1F 806813388 XQJRAEGVGOOAOM-UHFFFAOYSA-N 440.288 4.398 10 20 IICD Cc1cc([C@@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C2CC2)ccc1F 808841773 ZTJPOKXSAMHPNN-QHCPKHFHSA-N 436.483 4.229 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 808919645 CVHKZTALLKCBTN-UHFFFAOYSA-N 432.524 4.317 10 20 IICD Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cs1 811306752 DFSLKYYXQQSOKV-UHFFFAOYSA-N 429.469 4.373 10 20 IICD COc1ccc(N2CCCN(c3nnc(C4CCCC4)n3C[C@H]3CCCCO3)CC2)cc1 812430975 VROBBMVJNMJOJQ-HSZRJFAPSA-N 439.604 4.230 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1 812446012 JMRVGJJRMOURPG-UHFFFAOYSA-N 431.414 4.331 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(N2CCCNC2=O)cc1 813237557 JUVIRVGWAKSMIK-GOSISDBHSA-N 435.572 4.108 10 20 IICD CCOc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1OC 822204870 DVJNHJVYENBPIU-UHFFFAOYSA-N 446.415 4.030 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)Cc3cccc4ccccc34)CC2)cc1 916197448 ZZSFQSBPONJFRF-UHFFFAOYSA-N 446.595 4.202 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC 916671082 FZUCIUQRFUFTEZ-HZPDHXFCSA-N 431.508 4.168 10 20 IICD C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220671 IWOXQHNFGUXZLU-MRXNPFEDSA-N 425.504 4.436 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccnc2OCc2ccccc2)cc1 918308711 CCWUUZRQBAXQRG-UHFFFAOYSA-N 446.551 4.104 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)OC[C@H]3CCCO3)c2C)c1 921098514 LXVNADBSWBATLP-IEBWSBKVSA-N 431.554 4.126 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 1116309931 ZCVCGOZNDIQJEA-PKTZIBPZSA-N 429.992 4.245 10 20 IICD CCOc1c(Br)cc(C(=O)Nc2c(Cl)ccc3nonc23)cc1OC 1117508442 JFBCYRHEBHRMJX-UHFFFAOYSA-N 426.654 4.298 10 20 IICD O=C(c1cccs1)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 1318980008 JGNYQXFWZVQYGC-UHFFFAOYSA-N 429.611 4.106 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 1324187347 WUGCITRYGMANAD-OAQYLSRUSA-N 426.948 4.067 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C(F)(F)Cl)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790777011 FZMCTDJIQCVASZ-UHFFFAOYSA-N 445.249 4.331 10 20 IICD CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 10732635 ZHYKLQZINMPLCZ-CQSZACIVSA-N 439.895 4.063 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N(c3cccc(C(=O)O)c3)C1=O)O[C@H](C)C2 13066649 GGWLPOOVPKVGAM-IPHDDYSGSA-N 427.503 4.123 10 20 IICD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303732428 FEBPGJJAPGKTHX-QGZVFWFLSA-N 434.502 4.409 10 20 IICD CSc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-] 726566640 XQCJSKNZOVMKHR-UHFFFAOYSA-N 437.468 4.317 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CCN1CCCC1=O 727708809 KNIWHAYDGPGGOZ-LJQANCHMSA-N 433.474 4.311 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1ccc(F)cc1)C1CCC1 729232017 BXPIZXPLHYEDJH-XMMPIXPASA-N 425.548 4.375 10 20 IICD COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Br 732881655 HNPIFRMZONLBNW-MRXNPFEDSA-N 435.318 4.376 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 732912838 YLGNWBGBTDZWKY-UHFFFAOYSA-N 436.943 4.460 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(Br)cc1 734145057 JGJZLIGEHCVQCF-FUHWJXTLSA-N 446.389 4.233 10 20 IICD O=c1c2ccccc2ncn1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 735231111 VSJSXJKYVAKITC-IBGZPJMESA-N 432.549 4.231 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 736652590 BNXBDMOVBIXPAF-LVCYWYKZSA-N 443.538 4.353 10 20 IICD CN(c1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1)C1CCCCC1 740820225 WZCKLUQMZHJZKB-UHFFFAOYSA-N 434.989 4.442 10 20 IICD Cc1cc(COc2ccc(C(=O)N(C)Cc3ccccc3O)cc2Br)on1 742807797 XGDXFPOVZXVMPU-UHFFFAOYSA-N 431.286 4.302 10 20 IICD CO[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1 743555407 XVWXAEXOIMYJAN-XCGNWRKASA-N 449.954 4.280 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 747147992 MNLRCMYFAJOITB-WOJGMQOQSA-N 445.884 4.343 10 20 IICD Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(F)cc1F 748718452 KDCYNFPLVOCSRC-FQEVSTJZSA-N 433.499 4.335 10 20 IICD Cc1cccc([C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(C)(C)C)c1 749556186 XLJOMMOMQNVKTI-JTHBVZDNSA-N 436.600 4.283 10 20 IICD Cc1cc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)s1 754117738 CMUNGOIOWWHNPU-HLLBOEOZSA-N 433.593 4.085 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(CCC(F)(F)F)no1 761598525 FTQPGDDWLUUREY-PKNBQFBNSA-N 433.502 4.460 10 20 IICD C[C@@H](Cc1ccccc1Br)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761828050 ZCKOIROXQRXZJL-LBPRGKRZSA-N 437.721 4.204 10 20 IICD Cc1sc(Cl)nc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 762872946 MXMBLDAVPMSGIG-OAHLLOKOSA-N 438.981 4.167 10 20 IICD CC(C)[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nc(-c2nc[nH]n2)no1 763144159 XRRXSDMYDGLPGM-LJQANCHMSA-N 445.487 4.196 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1 765698367 SKUCGCQYVNMWBE-IIBYNOLFSA-N 427.520 4.325 10 20 IICD O=C(COc1ccccc1OCc1ccccc1)NCc1cccc(Br)c1O 765747000 JIMRNVSOAYNZPE-UHFFFAOYSA-N 442.309 4.429 10 20 IICD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 767989178 WYIWJNGLEHCZSR-UHFFFAOYSA-N 443.507 4.292 10 20 IICD COc1ccc(CN(Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCS(=O)(=O)C2)cc1 768193752 OVHMROHARJEHMB-QHCPKHFHSA-N 437.561 4.257 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](OC(C)C)c3ccccc3OC)CC2)cc1 770488732 AJQVKZHYROGUIC-DEOSSOPVSA-N 441.572 4.138 10 20 IICD COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772168658 CXAZMKVCXPUTKU-NRFANRHFSA-N 426.517 4.207 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)CC1 773495439 QNXYDOQSBLIOBQ-UHFFFAOYSA-N 442.604 4.219 10 20 IICD C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N2CCCCC2)cc1 775578042 UFZRYIDSDYCZLN-SFHVURJKSA-N 431.577 4.207 10 20 IICD Oc1c(F)cc(Cl)cc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 775644643 MGAHWVYIDMDUFY-UHFFFAOYSA-N 436.940 4.047 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC(c2ccsc2)CC1 777224635 MVWSHCNJTAHAKZ-UHFFFAOYSA-N 448.591 4.336 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Nc2ccc(F)cc2F)cc1F 779155554 ZBECHUCEUBIMOB-UHFFFAOYSA-N 442.441 4.168 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCc4c(Br)cccc43)cc2)C1 783502892 BBZDUWGOJMCFNN-JTSKRJEESA-N 442.401 4.318 10 20 IICD C[C@@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(Br)ccc1O 783647566 PAEJDPOPMZGCBZ-CQSZACIVSA-N 434.330 4.282 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 784108011 DWVJZEQWWRSCNM-UHFFFAOYSA-N 437.931 4.270 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(C)cc3)c3ccccn3)CC2)cc1F 792293737 JYZZMDRBFWQMSW-DEOSSOPVSA-N 434.515 4.159 10 20 IICD COc1cc(Cl)c(Cl)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 792449017 UDYKLZSMJJYMFZ-UHFFFAOYSA-N 428.291 4.299 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc(Cl)c1F 792504143 KIQHUJFQROCSRB-UHFFFAOYSA-N 437.924 4.141 10 20 IICD O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)ccc1N1CCCCC1 793349625 UJJPDOMEXXJULJ-KRWDZBQOSA-N 439.434 4.307 10 20 IICD Cc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1 793869305 USYSPGHKDOQBHK-KRWDZBQOSA-N 425.554 4.122 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cnc1C 794015371 CPUPQGKGIMSMJJ-UHFFFAOYSA-N 431.539 4.026 10 20 IICD O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)s1 799926756 FPKDEKPKRALDTR-UHFFFAOYSA-N 439.478 4.238 10 20 IICD C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3noc4ccccc34)cc2Cl)C1 800148781 RYEQUYGACIJLTE-OAHLLOKOSA-N 433.961 4.337 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCSC[C@H]3c3cnn(C)c3)cc2Cl)C1 800719809 NTGIZVWSSQMCGZ-KKSFZXQISA-N 448.036 4.310 10 20 IICD CCc1nc2cc(CNC(=O)N3CCCN(c4ccc(OC)cc4)CC3)ccc2n1C1CC1 801770580 RZNXGLNAXPNKPI-UHFFFAOYSA-N 447.583 4.364 10 20 IICD CCSc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 804590178 ZMVANMBFTJKUHD-KRWDZBQOSA-N 425.598 4.233 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 807932190 SSJXBYUONRPOSD-UHFFFAOYSA-N 433.892 4.250 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCNCc1ccc3ccccc3c1O)CC2 816549770 XRTJKWIRDAZHIB-UHFFFAOYSA-N 434.536 4.017 10 20 IICD CC(C)(C)Oc1cccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 857473401 YGXNXMVIGYPTRG-HXUWFJFHSA-N 445.991 4.331 10 20 IICD CN(C)c1ccc(CN(C(=O)/C=C/c2ccc(I)o2)C2CC2)cc1 914480973 MBPBIAIXVNNJDQ-ZRDIBKRKSA-N 436.293 4.155 10 20 IICD O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(O)c(O)c1 916591522 QVYUJGFNPIARRB-UHFFFAOYSA-N 425.418 4.197 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 917503436 LMQWTPAINRVMJY-UHFFFAOYSA-N 427.957 4.407 10 20 IICD CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917580616 FHFPQJUVJKMGIX-HZPDHXFCSA-N 445.560 4.103 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)COCc1ccccc1 919798638 FZMUGDIALFWXBM-VAMGGRTRSA-N 443.563 4.091 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNC[C@]2(N3CCOCC3)CCSC2)cc1 920180528 YPIDSMPDEBZWQM-RUZDIDTESA-N 425.642 4.011 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccnc1C(F)(F)F)c2[N+](=O)[O-] 1117585101 PQUQXUBMBVMHEG-UHFFFAOYSA-N 441.321 4.036 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncoc3[C@H]3CCCO3)c2C)cc1F 1318523011 WVTMFJGVNGBDDL-HXUWFJFHSA-N 426.444 4.421 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4F)C3=O)cc2)CC1 1319759165 XVZDIMCVWQQYNT-QGOAFFKASA-N 431.533 4.122 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCSC)C2=O)cc(Br)c1O 28963647 UFRIKCHLDSTALD-WQLSENKSSA-N 434.402 4.118 10 20 IICD Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCc2ccc(O)c(O)c2)cc1 216630302 LRNCVZUAKVZNHB-UHFFFAOYSA-N 431.467 4.371 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1 303522628 PTZMWDHUEIYRHZ-OAQYLSRUSA-N 442.991 4.223 10 20 IICD Cc1cc(-c2nc(Cc3c[nH]c4ccc(F)cc34)no2)ccc1NC(=O)C1=S=CC=C1 546456193 OYOHEZHKJGVCTM-UHFFFAOYSA-N 432.480 4.472 10 20 IICD CCC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(N2CCCC2)c1 725851063 HOZKOIYFEMACBY-LJQANCHMSA-N 446.935 4.451 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3csc(-c4ccc(O)cc4)n3)cc2F)C[C@@H](C)O1 726381764 QAMYITMCSPYRSK-HUUCEWRRSA-N 441.528 4.198 10 20 IICD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 728839664 VBZLIWWURVVCKY-QFIPXVFZSA-N 447.501 4.180 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 728948925 KHMOZWRLTQDYNO-HUUCEWRRSA-N 448.361 4.050 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(I)cc2Cl)c1 728978808 OSDSAVAVPBTNFO-VIFPVBQESA-N 431.657 4.150 10 20 IICD C[C@@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 729603403 VDHNWOXRHGHJEN-CJFMBICVSA-N 430.552 4.201 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cc2F)CC1 733040952 MXAAYSXWQAMZHB-QFIPXVFZSA-N 446.517 4.293 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 734402877 RCYVQCUCVPSCIP-JOCHJYFZSA-N 429.564 4.383 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(=O)c1cccs1 735828222 KQTWAXSYGIMLRF-UHFFFAOYSA-N 434.561 4.118 10 20 IICD O=C1/C(=C/c2nccc3ccccc23)SC(=S)N1CCc1ccc2c(c1)OCCO2 740942654 KOQOUOPTPCSVMM-STZFKDTASA-N 434.542 4.450 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)c1 741098504 KZBAEQRNGLXROW-UHFFFAOYSA-N 441.531 4.205 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(Br)s1 742554309 OQGAGLZSXJHLQX-CYBMUJFWSA-N 425.417 4.484 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSc3ccccc32)NC(=O)OC(C)(C)C)cc1 742752841 HOIWKNFJRDLFTH-VQTJNVASSA-N 441.597 4.324 10 20 IICD CCNC(=O)c1ccc(C)c(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1 743098501 NSWBLBQTXBBHCY-UHFFFAOYSA-N 434.334 4.267 10 20 IICD CCN(CC)C(=O)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 743484556 GWPYHHGOTWLOHT-DENIHFKCSA-N 431.527 4.456 10 20 IICD CN(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2ccccc2s1 743735801 LMTLGAPYLDPAAJ-HNNXBMFYSA-N 446.523 4.119 10 20 IICD O=C(Nc1nc(-c2ccco2)cs1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748026617 AAXWGLYYGMNRSQ-UHFFFAOYSA-N 447.519 4.223 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@H]1CCCC[C@@H]1C 751945517 RCAZADCZVICMKE-XERREHJYSA-N 429.586 4.192 10 20 IICD C[C@H](NC1CCC2(CC1)OCCO2)c1cc(Br)cc(Br)c1O 756418836 QXTRIHLGOJTKRA-JTQLQIEISA-N 435.156 4.254 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 758693634 GNTLZCQZWFYVHT-QUCCMNQESA-N 430.593 4.122 10 20 IICD COc1cc(N2CCN(C(=O)c3cccc(OCC=C(C)C)c3)CC2)cc(OC)c1OC 759223657 TUFBTOIRDXYEAB-UHFFFAOYSA-N 440.540 4.020 10 20 IICD O=C(NCCCSc1nccs1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 759590990 SFLXOQNSPCFQJU-KRWDZBQOSA-N 426.007 4.434 10 20 IICD COCc1nc(SCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n[nH]1 761877813 ZDGLIQZOUYKKBY-UHFFFAOYSA-N 435.347 4.096 10 20 IICD CCOC(=O)C1CCC(O)(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC1 762430824 OZGCEWBSKRLFIZ-VIHQBZHPSA-N 444.597 4.306 10 20 IICD CC(C)OCCOCc1cccc(NC(=O)NCc2cccc(Br)c2O)c1 765259665 WCMMMBLOLSRMIG-UHFFFAOYSA-N 437.334 4.418 10 20 IICD COc1cc(Br)cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 766489057 UMXGBXMGJKIWND-UHFFFAOYSA-N 436.375 4.333 10 20 IICD COc1c(Cl)cccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769719063 CUSKXAPVBCYJIJ-UHFFFAOYSA-N 438.914 4.169 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cc1C(F)(F)F 771369739 CHUVKYAXRZTNAJ-UHFFFAOYSA-N 426.866 4.498 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 773747664 CQEVTHPKPOOFJC-NSHDSACASA-N 434.279 4.348 10 20 IICD CC[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc(Br)ccc1O 775510263 YXLLUSHWCBDMQC-YYWHXJBOSA-N 433.390 4.078 10 20 IICD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 779508004 AUVLBLIUOIQVKJ-VWTAQGJOSA-N 435.307 4.438 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC3(c4ccccc4)CC3)cc2F)C[C@@H](C)O1 780311205 GQPKCBVOFWQBCO-RTBURBONSA-N 425.548 4.313 10 20 IICD COc1ccc([C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C(C)C)cc1 785546996 SUKTVZYKIJMMEP-XMMPIXPASA-N 437.584 4.157 10 20 IICD C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(N2CCOCC2)cc1 797437979 YCEGEIXGTZPCMO-MFMILTCTSA-N 444.373 4.202 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 797620202 BSLAACLZJBMVLP-INIZCTEOSA-N 431.492 4.053 10 20 IICD COCCn1nc(C)c(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C 800555381 YQLJXLXCILJRSK-OAHLLOKOSA-N 433.984 4.358 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 801546795 YXEZTDGQMWXWAD-UHFFFAOYSA-N 449.528 4.212 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 802610284 YMBJCTWXXGOEJZ-UHFFFAOYSA-N 437.471 4.486 10 20 IICD COc1cccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1O 807251041 IUFOHFIRLMLGPU-IBGZPJMESA-N 438.446 4.387 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccc(COCC(F)(F)C(F)F)c1 808114448 YVCZTWDNHZXNMJ-UHFFFAOYSA-N 445.793 4.403 10 20 IICD COc1ccc(N2CCCN(c3nnc(CC(C)C)n3Cc3cccs3)CC2)cc1 812355591 GVSBVWNITBYPCL-UHFFFAOYSA-N 425.602 4.312 10 20 IICD Cc1ccc(Br)c(C)c1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 815672654 LLZQNGQWNZDWNE-UHFFFAOYSA-N 430.346 4.020 10 20 IICD Cc1oc2c(CN3CCC(C(=O)NCC(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 887560598 YKQXNLGXFAEHLO-UHFFFAOYSA-N 448.563 4.458 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 914505352 BRECCGAEVNFEFQ-UHFFFAOYSA-N 443.538 4.320 10 20 IICD CCOC(=O)c1c(NC(=O)CNc2cccc3c2C(=O)NC3)sc(C)c1-c1ccccc1 914787340 HUYLJWPENSYIBW-UHFFFAOYSA-N 449.532 4.194 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)cc1 916435599 HSZNMDJDOMXHJN-VWLOTQADSA-N 438.616 4.056 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CCCCNC(N)=O 917339310 WMJGTYSAZCIAHV-SFHVURJKSA-N 436.478 4.137 10 20 IICD COc1cc(-c2ccccc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708092 BSORHOZCWOPHKO-UHFFFAOYSA-N 426.513 4.329 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(s3)-c3ccccc3CC4)cc2)C1 917832095 IZGXHWCZBBUIAT-FQEVSTJZSA-N 445.588 4.145 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1ccccc1Br 918101859 KFCXIGWPYZCOFT-INIZCTEOSA-N 442.361 4.005 10 20 IICD CC(C)c1ccsc1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 919730979 CBVFMCPJCKVHJO-IYBDPMFKSA-N 448.560 4.097 10 20 IICD CCCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 919860154 OQTMUYQQDUGHCI-UHFFFAOYSA-N 432.948 4.294 10 20 IICD Cc1cc(COc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2Br)no1 921275788 HVNVEXFPRSMSKO-UHFFFAOYSA-N 444.329 4.321 10 20 IICD Cc1occc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1787366419 VSSIZWWLYYVTLV-ONNFQVAWSA-N 448.475 4.166 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c2C)c1 25520934 YJGIGTHPWNHNOK-UHFFFAOYSA-N 444.579 4.235 10 20 IICD CCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 216485526 JEWHLVYJCHKNKG-LJQANCHMSA-N 431.536 4.344 10 20 IICD NS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1C(F)(F)F 470857962 GPVCHIFJCDDTCQ-UHFFFAOYSA-N 439.434 4.267 10 20 IICD Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(C(C)C)c(C)cc3O)C2)cc1 725784630 SMYVVPWFLKVFOA-HXUWFJFHSA-N 430.614 4.323 10 20 IICD Cc1ccccc1C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCOCC1 726565982 OCNLKCLGXAEQNK-UHFFFAOYSA-N 444.522 4.430 10 20 IICD Cc1cccc(C)c1OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726614689 VXRSKUOQOAKLDA-UHFFFAOYSA-N 433.499 4.252 10 20 IICD CCN1CCc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc21 728008227 RYNDQQOXHGNZAB-UHFFFAOYSA-N 441.443 4.005 10 20 IICD O=C(COC(=O)c1cccc(C(F)F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 729746257 BXXUNTLYWKJOAI-UHFFFAOYSA-N 435.382 4.195 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)CC1 731016430 QOTMSRKBKYIVRB-UHFFFAOYSA-N 435.568 4.283 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 733847834 GYTZIQVTEWYEIJ-CVEARBPZSA-N 434.496 4.170 10 20 IICD O=C(NCCCSc1nccs1)c1ccc(Cl)c(I)c1 733972423 RCZMCNMIWGMPLO-UHFFFAOYSA-N 438.743 4.313 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1 734674844 AZAFDUSIUGYTAP-UHFFFAOYSA-N 425.920 4.330 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 734703988 VAXVDBNEKHJRMV-LJQANCHMSA-N 431.536 4.456 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1 742783425 NUXGPQBSAREAPC-INIZCTEOSA-N 439.537 4.089 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC(O)(CC)CC2)sc(C)c1-c1ccccc1 743855640 UQLMIHPLWXDADQ-UHFFFAOYSA-N 444.597 4.466 10 20 IICD CN(Cc1cccc(Cl)c1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748013826 PLBYUHXXNKWFSR-UHFFFAOYSA-N 436.942 4.180 10 20 IICD COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756382860 FHEMRDGFDWEMOF-QFYYESIMSA-N 430.726 4.210 10 20 IICD COc1ccc(C[C@H](C)CN(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 761680378 MWJUUJROFSJZMA-IBGZPJMESA-N 425.573 4.193 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)c1 761974121 UQLCHVVKXSYOKS-OVQGTLEDSA-N 436.552 4.362 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 765323752 JBEDSRKUFDTZFS-HXUWFJFHSA-N 429.630 4.356 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)nc1-c1ccccc1 767672556 UVZYXMWTZMVBND-HNNXBMFYSA-N 448.541 4.474 10 20 IICD COc1ccc(-c2ccc(CN(C)Cc3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 768209074 YVKJAOVHYLDQEM-UHFFFAOYSA-N 437.496 4.332 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 768385912 UEELFYIUMRQZOL-QFIPXVFZSA-N 447.595 4.274 10 20 IICD COc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3O)CC2)c2ccccc12 769283314 SXVBXXLTJUQXRV-UHFFFAOYSA-N 432.520 4.065 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3cccc(OCc4ccccc4)c3)nc12 769867026 VKCZBNQUIQOGFO-KRWDZBQOSA-N 446.507 4.041 10 20 IICD C[C@H](OC(=O)CCCC(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 771138356 YKAWAVDAWOIYBW-LBPRGKRZSA-N 433.382 4.065 10 20 IICD Cc1c(CSC(C)C)cccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 772907892 ATGGIPMBBITGLG-UHFFFAOYSA-N 445.604 4.341 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1)c1ccc(N(C)C)cc1 773846631 NAQHYLGDVULXSL-IBGZPJMESA-N 442.563 4.131 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1cc(Cl)c(Cl)cc1O 774163547 MHYQWNDWBWAREG-CYBMUJFWSA-N 431.385 4.378 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)NCCCSc3nccs3)C2)CC1 774242193 SVYUBNZHRYOKCQ-UHFFFAOYSA-N 440.635 4.058 10 20 IICD Cc1cc(Br)cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 777132168 VYOXFWLXWMZDLP-UHFFFAOYSA-N 444.373 4.249 10 20 IICD CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 783017106 OPLCAYGGRQSDHE-CVEARBPZSA-N 427.504 4.097 10 20 IICD CCCNC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783483433 WTPQLRLWOLFHNX-SFHVURJKSA-N 444.535 4.142 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccnc1OCC(F)F)c1ccc(N)cc1 783486590 OYGVIZPDYGWBGZ-HNNXBMFYSA-N 440.450 4.041 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 784107723 UWGWGGSUQDDYSL-UHFFFAOYSA-N 443.551 4.105 10 20 IICD Cc1occc1-c1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1 786215768 XDZBGMMDGZSOSO-ZIAGYGMSSA-N 428.464 4.317 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@@H](C)c1ncnn1C 788735167 DASFEZCUUWXFFP-KSSFIOAISA-N 446.477 4.371 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(NC(C)=O)ccc1Cl 791248416 PDJDKGPWOJFNBE-UHFFFAOYSA-N 445.947 4.301 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4cnn(C)c4C3)c2C)c1 798763615 RTOUHSJQTHCFNJ-QGZVFWFLSA-N 437.565 4.081 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 802610317 UDOMGUAXEORXDB-HXUWFJFHSA-N 440.540 4.026 10 20 IICD O=C(NCc1ccc(COC2CCOCC2)cc1)NCc1cc(Cl)cc(Cl)c1O 805225105 AWSHCIHFVABWGI-UHFFFAOYSA-N 439.339 4.394 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 807675074 UJMOUEMRQUMYRG-YWZLYKJASA-N 435.490 4.462 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1SCC(=O)N1CCCC1 813683902 HBKFKDLEEQCPJZ-UHFFFAOYSA-N 439.364 4.344 10 20 IICD O=C1/C(=C\c2ccc(-c3ccc(F)cc3)s2)SC(=S)N1CCCN1CCOCC1 839450277 RQIULVVUXFSPIN-XMHGGMMESA-N 448.610 4.478 10 20 IICD Cc1cc(CCNC(=O)COc2cccc(NC(=O)C3CC3)c2)c(C)n1-c1ccccc1 914752812 IMPLKYLIDROVST-UHFFFAOYSA-N 431.536 4.180 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1 916502607 QICHPCVFLJZYER-UHFFFAOYSA-N 442.610 4.091 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccccc1OC1CCCC1 918224381 VLQDDSDGJBJPOJ-UHFFFAOYSA-N 437.584 4.216 10 20 IICD Cc1cc(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 918574607 PUUDUYFRTDZBDS-HNNXBMFYSA-N 429.517 4.096 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)CC2)cc1 1336532511 UMHRTQZVMDMQST-UHFFFAOYSA-N 433.556 4.251 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1)c1cc(O)nc(O)c1 1792085406 OAHUCERTXWRWKS-UHFFFAOYSA-N 443.503 4.432 10 20 IICD O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9553115 SUSHURGGRVFIOP-UHFFFAOYSA-N 448.891 4.118 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N(C)c1ccccc1 10732461 JVOHCERNYRPLKR-AWEZNQCLSA-N 447.874 4.324 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 97044407 SVNZSIYVYQZGIE-DQEYMECFSA-N 438.568 4.132 10 20 IICD COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(OC)c1OCc1ccccc1 116151276 VTQXKUMPQBKRSS-UHFFFAOYSA-N 438.499 4.418 10 20 IICD N#Cc1cccc(COc2cccc(CNCc3ccc(N4CCOCC4)c(F)c3)c2)c1 237858399 RHAVWMFGRYYEKX-UHFFFAOYSA-N 431.511 4.403 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-n4nnnc4C4CC4)ccc3F)ccc21 460194836 GGUGTFOPCSQFAX-UHFFFAOYSA-N 448.502 4.149 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)ccc21 535547715 IRTXSASTMLBNFT-MRXNPFEDSA-N 432.524 4.488 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)ccc21 540540719 ASCWETIAAWDTON-JTHBVZDNSA-N 428.479 4.443 10 20 IICD C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCOCC2)cc1 726244192 BCIPVNYPPSLZRT-LJQANCHMSA-N 435.524 4.295 10 20 IICD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 727251091 QMGCYZZNLSPXRY-UHFFFAOYSA-N 431.829 4.451 10 20 IICD O=C(NC1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1)Oc1ccccc1 728197292 UCQJVEVZTNOKIK-UHFFFAOYSA-N 446.503 4.082 10 20 IICD COCCn1c(C)c(C)n(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1=S 728904984 ZPDWJKGMSDRNGM-UHFFFAOYSA-N 430.540 4.370 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 729039184 LPJPJAVQSPGXHA-AWEZNQCLSA-N 439.491 4.408 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1 731228614 GCVQFRONRWYIEF-MRXNPFEDSA-N 428.492 4.448 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 737517743 QRILLZALCMOFSC-VQIMIIECSA-N 447.501 4.217 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc4[C@H]3C)cc2F)C[C@@H](C)O1 738460855 QTIYAMPHWBWSIQ-IXDOHACOSA-N 429.511 4.407 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc1 742753517 JHZRWYLTZSBBAY-NHCUHLMSSA-N 439.556 4.001 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccc(C)nn4)cc3)CC2)cc1 743190984 AFANTPBDVRPRNR-UHFFFAOYSA-N 433.512 4.330 10 20 IICD C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 745798128 WGLMYYOBUSAEFJ-AEFFLSMTSA-N 431.577 4.106 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCOc2cc(OC)ccc21 745860615 ABNANVXHQFKOKI-KRWDZBQOSA-N 435.318 4.219 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 746414250 ADYGYODHXNKBBV-XMMPIXPASA-N 438.641 4.046 10 20 IICD CCN(Cc1ccc(Cl)cc1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 746943609 VOQLWHHZSFJAGJ-UHFFFAOYSA-N 445.007 4.092 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N(CCc3ccccc3)C3CCCC3)cc2)C1 746954321 ZBHGSQANFHTCGG-QHCPKHFHSA-N 448.611 4.085 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 750670119 GBAGSJZPZIISEH-OXUZJWOWSA-N 431.602 4.137 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4nc(C5CC5)oc4c3)cc2F)CC1 751019415 XJNUWMDEVXQRFK-UHFFFAOYSA-N 437.519 4.308 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1nccn1CCCc1ccccc1 751608467 XXWMUSBQMREFJI-UHFFFAOYSA-N 449.624 4.069 10 20 IICD Oc1cc(OCc2ccccc2)ccc1CN1CCn2c(Cc3ccccc3)nnc2C1 753546647 JDYPEEHYFWMDKK-UHFFFAOYSA-N 426.520 4.169 10 20 IICD C[C@@H](NCc1ccc(N(C)C)nc1)c1cc(Br)cc(Br)c1O 756399377 DAWHLLVLEHCRRA-SNVBAGLBSA-N 429.156 4.229 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3COc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 757633646 VLKUDIKCYDUGRH-PJIJBLCYSA-N 433.911 4.026 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H]3CCc4cc(Cl)cc(Cl)c43)cc2)CC1 760329850 LZOXUXVGTHKKIN-IBGZPJMESA-N 425.381 4.005 10 20 IICD C[C@@H]1CN(c2ccc(CN3C(=O)CN(Cc4ccc(Cl)cc4)C3=O)cc2F)C[C@@H](C)O1 761088176 AQIRVPPCDHOXKQ-HZPDHXFCSA-N 445.922 4.057 10 20 IICD CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 762735961 QTNRIMBSIJDUNL-ZLNRFVROSA-N 431.621 4.427 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)C[C@H](C)O1 765279251 YWHCAJIUVPACIT-KBPBESRZSA-N 434.334 4.090 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)cc(F)c1 765280963 MCOJHSPWHKXKGD-INIZCTEOSA-N 427.474 4.071 10 20 IICD Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1NC(=O)c1ccco1 765733242 VXJCBDMJJZBVIH-UHFFFAOYSA-N 429.270 4.238 10 20 IICD COc1cc(OC)c2cc(CCCN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)[nH]c2c1 766539110 KGXZXNQHTIGKRU-QGZVFWFLSA-N 441.547 4.444 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 767773088 LQDDFGJVPGEWOI-UHFFFAOYSA-N 435.867 4.441 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1csc(-c2ccccc2)n1 774810371 AZQAHSNSVGDSAW-UHFFFAOYSA-N 437.565 4.003 10 20 IICD C[C@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(N2CCOCC2)cc1 775253323 ABXMOSFNALMYDF-HNNXBMFYSA-N 432.446 4.443 10 20 IICD C[C@@H](NC[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(N2CCOCC2)cc1 775255045 NPIZSQZKUSDBKK-OFNKIYASSA-N 429.564 4.343 10 20 IICD C[C@@H](NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 775728082 DQQVDYTXOOEVFJ-GOSISDBHSA-N 439.556 4.039 10 20 IICD CC(C)c1ccc(Cn2nccc2NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 779450162 LMDYULKJGDZDGI-UHFFFAOYSA-N 433.556 4.213 10 20 IICD CCC[C@@H]1C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 780588132 DUTKZACWSVNUOK-TYPHKJRUSA-N 433.593 4.030 10 20 IICD CCNC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(C)c1 783486222 NDONKFUBMICEKL-GOSISDBHSA-N 444.535 4.060 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccn(CCOC)n2)sc(C)c1-c1ccc(F)cc1 784040682 SFWDPVHDTQEWCP-UHFFFAOYSA-N 431.489 4.135 10 20 IICD CCCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2C1=O 788145646 CKNWKJUNHHJNFO-UHFFFAOYSA-N 433.552 4.345 10 20 IICD CN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2Cl)c2cc(Br)cnc21 789149459 YXVSIGDZWBSFPQ-APSNUPSMSA-N 429.705 4.259 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccc(N(C)C)cc1 793063128 XQIKNCYFCZDSPG-FPOVZHCZSA-N 438.572 4.162 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2cc(Br)cnc12 807005581 CVUZASYUULAIBP-UHFFFAOYSA-N 442.313 4.080 10 20 IICD Cc1cc([C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C2CC2)ccc1F 808841771 ZTJPOKXSAMHPNN-HSZRJFAPSA-N 436.483 4.229 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 812941359 IHQPRINLRPSRFY-LJQANCHMSA-N 437.588 4.355 10 20 IICD COc1cccc(CNC(=O)CCc2cc(C(F)(F)F)ccc2Br)c1O 815834546 NLOCUJZKMUVDGH-UHFFFAOYSA-N 432.236 4.431 10 20 IICD Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 818341068 WLQJRUMSAXFFTO-UHFFFAOYSA-N 425.539 4.004 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]nc1-c1ccccc1Cl 857471836 CBYXVQLOKWEZRZ-MRXNPFEDSA-N 445.350 4.484 10 20 IICD COc1cc(CNc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)c(O)c(C(C)(C)C)c1 864007000 XLWNZGBCXZHGKV-UHFFFAOYSA-N 448.585 4.104 10 20 IICD CCOC(=O)c1c(NC(=O)CCn2ccccc2=O)sc(C)c1-c1ccc(F)cc1 914871043 VNEVUXAOOCMQBE-UHFFFAOYSA-N 428.485 4.230 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 916102276 RBZWGBUQTRLAKG-UHFFFAOYSA-N 425.329 4.382 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 916484184 XAOIQTVYZADHLB-PKOBYXMFSA-N 428.529 4.170 10 20 IICD Cc1cc(C(=O)N2CCN(c3nccs3)CC2)c(C)n1-c1cccc(Br)c1 917996649 CFVJVWKAKQXVRY-UHFFFAOYSA-N 445.386 4.276 10 20 IICD CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1 918004832 LPOHOPZTFGNSMZ-DENIHFKCSA-N 442.991 4.238 10 20 IICD CCC(CC)C(=O)N1CCC(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 918016246 BDLHJZMYIRADEQ-UHFFFAOYSA-N 438.616 4.363 10 20 IICD O=C(COC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(N=Nc2ccccc2)cc1 918057605 VTROBOMUHFKTJO-UHFFFAOYSA-N 430.420 4.228 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 918227979 CUTFGFRXFHZLLQ-UHFFFAOYSA-N 434.584 4.299 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1C 918660984 BRYWAKGZTNWEIS-GOSISDBHSA-N 439.581 4.144 10 20 IICD C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920880681 MGZLPDVTKQMKBW-IBGZPJMESA-N 429.520 4.267 10 20 IICD CN1CCN(c2ccc(CN[C@@H](CCO)c3ccc(Cl)c(Cl)c3)cc2F)CC1 1347178968 MGVNDEZRQFQKQJ-FQEVSTJZSA-N 426.363 4.098 10 20 IICD O=C(CCC1CCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707863 DQAQXWAWLFYUHO-CYBMUJFWSA-N 449.960 4.014 10 20 IICD O=C([C@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740505 PUQYGOYDCGJXME-PXNSSMCTSA-N 446.975 4.341 10 20 IICD COc1cc(OC)cc([C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c2nccn2C)c1 29131949 DOCVOQWQMUUNIB-XMMPIXPASA-N 444.535 4.364 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1 71937101 KUYUJYJNJYAZMN-UHFFFAOYSA-N 447.004 4.052 10 20 IICD COc1cccc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)oc12 97428367 UVWWTKQLTIRPSW-UHFFFAOYSA-N 434.414 4.227 10 20 IICD CCN1CCN(c2ccc(CNCc3ccccc3OCc3cccnc3)cc2F)CC1 236863551 GFKRSWVRAKSGOT-UHFFFAOYSA-N 434.559 4.231 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1ccc(Br)cc1 302980382 CXCLFFYOWJHVKC-VXKWHMMOSA-N 443.385 4.078 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccnc4ccccc34)cc2F)C[C@@H](C)O1 303332383 BTKPOCTZYZYCLO-IAGOWNOFSA-N 439.556 4.396 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 572657452 KZITWFMSXWWZCT-UHFFFAOYSA-N 435.471 4.436 10 20 IICD CCOCc1cc(CNCCC(=O)Nc2ccc(Br)cc2C)ccc1OC 726189882 PUUWTYDCQGTNMU-UHFFFAOYSA-N 435.362 4.421 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)ccc1OC(F)F 726986341 PABGFRLNECHXOM-DHDCSXOGSA-N 438.477 4.496 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC1=S 727177062 VUKWWTIIJYBTHP-NVMNQCDNSA-N 449.045 4.374 10 20 IICD CCCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 727834717 UELUUBJOVLBWGR-UHFFFAOYSA-N 430.570 4.064 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c2c(c1)C[C@@H](C)O2 727860674 FXDPWPXYDCBJPG-AINDZBIGSA-N 440.546 4.383 10 20 IICD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 729047650 KXRBPSREZCMYSM-UHFFFAOYSA-N 428.558 4.268 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 732910832 SVDWXSQOSPSBMX-UHFFFAOYSA-N 425.875 4.181 10 20 IICD O=C(N/C(=C\c1cccnc1)C(=O)N1CCc2cc(Br)ccc21)c1ccccc1 733139862 SYGNDQJRYBFPRV-MOSHPQCFSA-N 448.320 4.204 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C2CC2)cc1 737136477 JOFGXAMMYGKSEJ-UHFFFAOYSA-N 434.540 4.321 10 20 IICD CCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 741080021 VIZLPHWAQFHTMS-JRYVQNIKSA-N 447.595 4.174 10 20 IICD C[C@@H]1CCC[C@H](OCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 742754194 NNLXOQYNVNZSLL-QMMLZNLJSA-N 433.593 4.030 10 20 IICD CN(C)[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1 742798744 PYPQZAHZNQZDRW-YLJYHZDGSA-N 437.918 4.329 10 20 IICD O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804682 AKCWUEXVTXJYDE-AWEZNQCLSA-N 448.495 4.117 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)cc1 743706037 XLYVSSMNIPSAPB-KRWDZBQOSA-N 437.544 4.494 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 745672839 KAMDFEARFJPXOJ-SFHVURJKSA-N 438.341 4.128 10 20 IICD C[C@@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 746034318 URZTWIRFZFWVIG-GOSISDBHSA-N 439.556 4.290 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1F 748972564 ZIYDRPRSSUIFEM-FQEVSTJZSA-N 440.563 4.024 10 20 IICD O=C(N[C@@H]1CCSc2ccccc21)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751058675 IWLYGVAQZLCULM-MRXNPFEDSA-N 446.575 4.221 10 20 IICD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1c(-c2ccccn2)nc2ccccn12 751299508 MRVOFUQREBOMGM-UHFFFAOYSA-N 443.551 4.058 10 20 IICD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751931657 PHKXFXCZZQXNMK-SFHVURJKSA-N 441.578 4.070 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)cs2)cc1 751931863 UMMBLYVXKJWDIJ-UHFFFAOYSA-N 436.320 4.418 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4n3C)CC2)cc1F 753737684 ILTIXFDASLVPTB-UHFFFAOYSA-N 435.421 4.307 10 20 IICD CC[C@H](N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(C)noc1C 756869208 TVOYCNIWHIIQCI-SZNDQCEHSA-N 431.492 4.135 10 20 IICD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 756924826 SBOFLRVWJWSSND-SFHVURJKSA-N 429.536 4.147 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(O[C@H]2CCOC2)c1 758898901 HCQVXZBRAHSTSD-QHCPKHFHSA-N 425.573 4.349 10 20 IICD Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(OCC(F)(F)F)c1 761678415 FIKZVACFZIFTRU-UHFFFAOYSA-N 442.821 4.260 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(Br)cc4c3OCC4)SC2=S)cn1 764884083 BGFHCJWRRSPPPE-ZSOIEALJSA-N 449.351 4.193 10 20 IICD Fc1cc(CN[C@@H]2CSCCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1 765276701 NEXHPYJAGFZOIP-HSZRJFAPSA-N 449.599 4.063 10 20 IICD C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N2CCCCCC2)cc1 765731629 KTTXFJQAHDRJSY-HXUWFJFHSA-N 435.616 4.015 10 20 IICD Cc1cccc(C(=O)NCc2cccc(Br)c2O)c1NC(=O)c1ccncc1 765735243 FMOOHMZUVZELDY-UHFFFAOYSA-N 440.297 4.040 10 20 IICD C[C@@H](NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 766602737 UFVRDMGXNLOBIS-FQRUVTKNSA-N 445.563 4.284 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(OCc4cccnc4)cc3)c2)CC1 767382707 WCPITKBCFXSUQK-UHFFFAOYSA-N 430.552 4.443 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 767821403 YBQHNAOZBTZLIJ-JOCHJYFZSA-N 445.604 4.051 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3NCc3cccnc3)c2)CC1 768521328 WAWKPZQNKQJGIQ-UHFFFAOYSA-N 429.568 4.476 10 20 IICD Oc1c(Br)cccc1CN1CCO[C@H](c2ccc(Br)cc2)C1 769054426 JRSKHIPEGJCLCK-INIZCTEOSA-N 427.136 4.491 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccccc1Br 769596203 DLHIEBRQPFJXEM-QGZVFWFLSA-N 447.373 4.315 10 20 IICD C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OCc2ccccn2)c1 775006282 GNZHLFBZYCNDLK-FQEVSTJZSA-N 432.568 4.036 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1csc(-c2ccc(F)c(F)c2)n1 780389518 OBLHIVJCQDOLRG-UHFFFAOYSA-N 447.482 4.119 10 20 IICD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 795550785 VVPRLMYKKTWXDF-UHFFFAOYSA-N 444.321 4.099 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc(O)c4ccccc4n3)cc2Cl)C1 800050168 OTHPCDXOJLILOL-MRXNPFEDSA-N 438.959 4.474 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(I)c1O 801548172 BBTUSRVZYLQUSP-UHFFFAOYSA-N 425.266 4.145 10 20 IICD CC1CCN(c2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)CC1 807511779 VNXONZFYFVCAGQ-UHFFFAOYSA-N 436.339 4.190 10 20 IICD Cc1ccccc1C(NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1C 807671460 PHIYJRCSEQXLII-HXUWFJFHSA-N 429.564 4.452 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1COc2ccccc21 809378855 URSLVRTZCBSHFW-BGARDKSCSA-N 444.603 4.022 10 20 IICD O=C(COc1ccc(Cl)c(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 857455985 KGPHCSLXQZKCAL-ZDUSSCGKSA-N 428.838 4.245 10 20 IICD O=C(/C=C\c1ccc2ccccc2n1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457021 WIMZXPZRIMRWGE-NTMALXAHSA-N 441.453 4.420 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 916682441 NRXRJQPZDOCVBM-UHFFFAOYSA-N 448.926 4.110 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3sccc3Br)cc2F)C[C@@H](C)O1 917710236 BXGUCSMDIHTOGF-TXEJJXNPSA-N 427.339 4.193 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 917902469 NUCHKNVJYHHZOH-UHFFFAOYSA-N 443.959 4.124 10 20 IICD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220124 UQVKOYWWNLTQLQ-UHFFFAOYSA-N 440.346 4.435 10 20 IICD CCOc1ccc(C2(CNC(=O)NCc3ccc(N(CC)CC)cc3)CCOCC2)cc1 919923513 TZXYUIGAPQVYOE-UHFFFAOYSA-N 439.600 4.479 10 20 IICD Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969532 PDMIFQINIDETEG-UHFFFAOYSA-N 425.529 4.149 10 20 IICD Cc1cc(Br)ccc1SCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 16134459 BTIAZZULPJVKPO-UHFFFAOYSA-N 449.414 4.345 10 20 IICD Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933400 DWBZIGMARFCROS-UHFFFAOYSA-N 445.441 4.435 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1 110353266 MUEZZGIYAJBNPA-UHFFFAOYSA-N 435.549 4.408 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC1=S 207196140 XGQUJECFDOFVRL-YVLHZVERSA-N 449.985 4.431 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)CC1 303439613 FJRNVUJWEGMPPX-NRFANRHFSA-N 440.975 4.181 10 20 IICD O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C\c1cnc(N2CCCC2)nc1 611743953 BYSRLQKLFYNUEV-LDADJPATSA-N 427.533 4.460 10 20 IICD CC(C)N(Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 726235633 FHQLOWJSVGBUBP-UHFFFAOYSA-N 446.389 4.406 10 20 IICD Cc1oc(-c2ccco2)nc1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567640 RLLRTVIUAOEULN-UHFFFAOYSA-N 431.439 4.172 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cccc4c3OCCCO4)SC2=S)c1 726624891 ASSSHQPVKSHLIG-WOJGMQOQSA-N 429.519 4.271 10 20 IICD Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)c(C)n1-c1ccccc1Br 733153791 HQYSRTVYNOBPQL-UHFFFAOYSA-N 448.405 4.039 10 20 IICD O=C(NCCCSc1nccs1)c1ccc(I)cc1Cl 733973130 VFDRXKFJKLIZCG-UHFFFAOYSA-N 438.743 4.313 10 20 IICD Cc1ccc([C@H]2CSCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 734941551 FRFKEIPZRHULEJ-AUSIDOKSSA-N 425.598 4.392 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2ccccc2c1 741913502 JMEAMXILMLLYSJ-JOCHJYFZSA-N 429.564 4.136 10 20 IICD CC(=O)Nc1ccc(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743015487 HRZJZVSWDLHQOA-KRWDZBQOSA-N 434.512 4.202 10 20 IICD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N(C)C)c(F)c1 746804271 XSYIEEYAFHHUHZ-VWLOTQADSA-N 435.543 4.045 10 20 IICD Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c1 747148151 NLRUXLKIPWLANM-PXLXIMEGSA-N 444.560 4.209 10 20 IICD Cc1oc2c(CN3CCNC(=O)[C@@H]3c3ccccc3)c(O)ccc2c(=O)c1-c1ccccc1 748796859 VWFMZQIMDGVGGI-DEOSSOPVSA-N 440.499 4.147 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1I 750626801 FUHFMPGOTHIVEY-UHFFFAOYSA-N 439.272 4.352 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1)C1CCCCC1 751607478 MYIJTOVQMSOCAZ-DEOSSOPVSA-N 429.605 4.325 10 20 IICD Cc1cc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c(C)n1-c1ccccn1 760004159 YLKIHVQMSURZPF-UHFFFAOYSA-N 437.507 4.172 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)cc1 764469682 FGDZJCODAGUTBS-UHFFFAOYSA-N 446.429 4.163 10 20 IICD C[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(N2CCOCC2)cc1 765136483 PUSJMBKYEMCTQU-OAHLLOKOSA-N 442.357 4.187 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](CCc3ccccc3)Cc3ccccc3)cc2)CC1 765980139 PQMLTAUSJPEYCX-AREMUKBSSA-N 448.632 4.255 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1c1ccc(F)cc1F 770347269 GJPJKTYZVBBYJC-NRFANRHFSA-N 433.474 4.377 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cnc(Cc4ccccc4F)s3)CC2)cc1 772015424 FUHIPFBWZNHQNO-UHFFFAOYSA-N 425.529 4.280 10 20 IICD C[C@@H](NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(N(C)C)cc1 773609192 CIBQGOAALBKWDB-GOSISDBHSA-N 430.593 4.246 10 20 IICD C[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 775259457 UHTYFDISLJYGAR-HFZDXXHNSA-N 432.564 4.281 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 775369101 JFJOIIAQLMFGOV-JTQLQIEISA-N 447.251 4.471 10 20 IICD CC[C@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)ccc1O 775546461 ITTIOEADRKMHEY-CTNGQTDRSA-N 433.390 4.352 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1C(C)C 779152028 DUUWREVLELULHS-UHFFFAOYSA-N 439.556 4.023 10 20 IICD O=C(c1cc(Br)ncc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 779650577 BGPALDGMJCTXDO-ZDUSSCGKSA-N 425.710 4.025 10 20 IICD CC(C)(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)Cc1ccc(Cl)cc1 782335717 MIGCXWSNQPJXNF-HXUWFJFHSA-N 442.003 4.317 10 20 IICD COc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 786771976 ZPXKTQGZIDCOJH-DLBZAZTESA-N 443.975 4.079 10 20 IICD O=C(CCCc1ccc(O)c(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 786787365 CNDKKSWGTXYMHS-UHFFFAOYSA-N 440.437 4.026 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2coc3ccccc23)NC(=O)OC(C)(C)C)cc1 796729369 ONYYPXXCQOECIN-OAQYLSRUSA-N 437.540 4.424 10 20 IICD CCOC(=O)c1c(NC(=O)COCc2nnc(C)s2)sc(C)c1-c1ccc(F)cc1 808054809 ADKIBZNNUSXTGU-UHFFFAOYSA-N 449.529 4.355 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(C)sc1Br 816940702 KKMKGZGOELLGGM-UHFFFAOYSA-N 434.153 4.344 10 20 IICD N=C(NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)Nc1cccc(Oc2ccccc2)c1 849090685 GPWPZIGSKLMEPM-HXUWFJFHSA-N 443.551 4.317 10 20 IICD COc1cccc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 913361331 QGJFVFTXKKDOKL-ATVHPVEESA-N 433.576 4.482 10 20 IICD Cc1noc(C)c1CN1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 917104755 VWFUXVNZPZXGRO-UHFFFAOYSA-N 440.975 4.239 10 20 IICD Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 920870867 SNPRXLIULGPING-IAGOWNOFSA-N 446.389 4.272 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@]2(F)Cl)cc1 1802494873 QCIKURPFWHARDV-YPOHYTPRSA-N 443.950 4.270 10 20 IICD Cc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c12 728816531 JKEQYVCIGAIHSQ-UHFFFAOYSA-N 431.458 4.191 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccccc3OC(C)C)cc2F)CC1 730117996 NRYJKEVOHZVZFP-IBGZPJMESA-N 442.579 4.315 10 20 IICD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCCSc3nccs3)c12 733880806 ONQISFGZRMJRFE-UHFFFAOYSA-N 429.596 4.374 10 20 IICD O=C1/C(=C/c2cc(Cl)c3c(c2)OCCO3)SC(=S)N1c1ccc2c(c1)OCO2 735332202 XSZUYHOTVWVBRG-APSNUPSMSA-N 433.894 4.246 10 20 IICD O=[S@@](CCN(Cc1ccccc1O)C[C@H]1CCCO1)c1cc(Cl)ccc1Cl 735492525 IKQRLWGYWLHQSZ-CRYYWNKWSA-N 428.381 4.488 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCCO2 742800994 WFOJLJWDWVCHGW-KRWDZBQOSA-N 446.494 4.122 10 20 IICD C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742953236 ZYIMETBPPJMOQV-JTSKRJEESA-N 439.556 4.380 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 743115063 IXWSEUFCLWSMAD-UHFFFAOYSA-N 440.725 4.222 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1sc(-c2ncccn2)nc1C 743809462 XEHAKAOAYRKFPL-UHFFFAOYSA-N 433.331 4.039 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H](C)c1ccccc1 747311346 LPIUPGVAGWHUKZ-GJZGRUSLSA-N 428.444 4.292 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nccn2C(C)(C)C)cc1 749456503 IECVQALHISWRTG-FQEVSTJZSA-N 430.618 4.004 10 20 IICD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 751076387 GAVPMCQXBNXVKX-TZIWHRDSSA-N 425.573 4.159 10 20 IICD O=S(=O)(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)c2ccccc12 751229156 VQVYNGVWWVUALU-UHFFFAOYSA-N 448.947 4.072 10 20 IICD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751936865 NBCUSGCKRAIDJU-ZDUSSCGKSA-N 427.551 4.222 10 20 IICD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753639775 CLQKYHCSCYKBKL-KRWDZBQOSA-N 443.503 4.320 10 20 IICD C[C@@H]1CN(Cc2cccc(CN[C@H](C)c3cc(Br)c(F)cc3O)c2)CCO1 756462696 YZDMVCYRQHICRF-HUUCEWRRSA-N 437.353 4.365 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 758415701 JXRSKLVGDVKSHF-ATPAHOSSSA-N 427.547 4.071 10 20 IICD O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 759581842 WPMNKWYSIQZKHY-DEZWEULXSA-N 437.879 4.213 10 20 IICD Cc1oc2c(CN3CCC(N4CCCCC4=O)CC3)c(O)ccc2c(=O)c1-c1ccccc1 763225778 BXYMBRDAQPOAEX-UHFFFAOYSA-N 446.547 4.451 10 20 IICD O=C(NCc1cccc(COCc2ccco2)c1)NCc1cccc(Br)c1O 764761245 KPBVDRSREQHAKV-UHFFFAOYSA-N 445.313 4.464 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1-c1ccc(Cl)cc1 765287805 TYFLPDQNLNQTAP-OAHLLOKOSA-N 443.954 4.180 10 20 IICD C[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 765680239 GPOKQMDEJNMHRZ-QRWLVFNGSA-N 428.882 4.277 10 20 IICD O=C(NCc1cccc(Br)c1O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 765725940 ANJPVTZEENTMDK-UHFFFAOYSA-N 448.267 4.037 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCc1cccnn1 767882513 QVKDNGXVUOYVQB-LJQANCHMSA-N 429.446 4.471 10 20 IICD COc1cc(O)c(CN(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1OC 768467149 ZZRWQRNQRZTEIV-GOSISDBHSA-N 438.490 4.296 10 20 IICD CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772121091 WTJUQXUDYJSYGO-FQEVSTJZSA-N 425.558 4.161 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1NC(=O)c1ccccc1Cl 773739453 AGESOULASVDXAQ-LBPRGKRZSA-N 430.913 4.426 10 20 IICD CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)OCC3 773769494 WMRANVIKODXEFC-DXPJPUQTSA-N 436.552 4.457 10 20 IICD Cc1cc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)c(C)n1-c1ccc(Cl)cc1 775111233 NUDAIHIKMNPIRO-UHFFFAOYSA-N 435.915 4.251 10 20 IICD COc1ccccc1NC(=O)Nc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1OC 779497869 HYUGIKPALNWCEF-WQLSENKSSA-N 449.463 4.411 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2ncc(Br)cc2c1 780504336 OIEIUVHPLYQZRS-UHFFFAOYSA-N 425.330 4.313 10 20 IICD O=C(c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)c1cccc(O)c1 780958313 KHCVAHZRBHIGSR-HSZRJFAPSA-N 431.488 4.150 10 20 IICD CCC1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCN(C(=O)c2ccccc2)CC1 781155065 XGOYIIJXDONGOV-UHFFFAOYSA-N 449.595 4.113 10 20 IICD COc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC 781327522 LVBJUXKXGXRPIM-AUSIDOKSSA-N 440.584 4.156 10 20 IICD COc1ccc([C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C(C)C)cc1 785546994 SUKTVZYKIJMMEP-DEOSSOPVSA-N 437.584 4.157 10 20 IICD CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 787138265 CSULUCAOSGMEOI-NRFANRHFSA-N 440.540 4.238 10 20 IICD O=C1/C(=C/c2ncc(I)s2)SC(=S)N1c1ccccc1 794696400 UXKZYSHXWAUQMZ-TWGQIWQCSA-N 430.317 4.154 10 20 IICD CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1 795548356 LTVHTTDMQNUSDO-UHFFFAOYSA-N 432.523 4.105 10 20 IICD C[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 807292738 XCDQXEVCVXKERA-KRWDZBQOSA-N 445.485 4.008 10 20 IICD Cc1ccccc1C(NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1C 807671459 PHIYJRCSEQXLII-FQEVSTJZSA-N 429.564 4.452 10 20 IICD Cc1cc(Cl)cc([C@H](C)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c1O 808717133 GIBKLQUWSNCCNL-LFVRLGFBSA-N 427.932 4.430 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(OC)c1OCC(F)F 809147893 WWYSXHSZCCRCAO-NVNXTCNLSA-N 438.477 4.149 10 20 IICD COC(=O)c1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1OC 915719268 FKYOODBTAWZELS-UHFFFAOYSA-N 446.463 4.152 10 20 IICD CC1CCN(c2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)CC1 916674284 XNRDZHJSSBGAON-UHFFFAOYSA-N 436.600 4.453 10 20 IICD Cc1cc(CSc2ccccc2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)on1 917708860 JAXUYDDWBMRANQ-UHFFFAOYSA-N 441.528 4.181 10 20 IICD COc1ccc2nc(NC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)sc2c1 918024267 GULAJPREGPWPCN-ZIAGYGMSSA-N 444.532 4.379 10 20 IICD CC(C)(C)C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 918117735 QPCOSZCWWRJUSO-GMAHTHKFSA-N 436.600 4.365 10 20 IICD Cc1nccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 919796729 PQSXGTXKSZLYSL-UHFFFAOYSA-N 439.479 4.246 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1cccc(C(F)(F)F)c1 920422996 PXSOSSXATXUSLW-UHFFFAOYSA-N 435.490 4.316 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1c(F)cccc1Br 1319110114 SGWXHIFVRFXMIX-UHFFFAOYSA-N 441.303 4.405 10 20 IICD COc1cc(N2CCN(C(=O)Nc3c(C)cc(Cl)cc3C)CC2)cc(OC)c1OC 1321061778 ZPCQKDZMNMSKBY-UHFFFAOYSA-N 433.936 4.337 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)n1-c1ccc2c(c1)OCCO2 10532266 NBJOWJDNPPLCLM-UHFFFAOYSA-N 442.471 4.453 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 108027307 NLWVHXVHWNCYGC-UHFFFAOYSA-N 439.512 4.479 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1F 116151142 RQKPRLWFHYGTIT-IBGZPJMESA-N 438.330 4.120 10 20 IICD CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 490401364 PPTFPANBKQJIAM-DEOSSOPVSA-N 448.611 4.426 10 20 IICD Cc1cc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)ccc1NC(=O)C1=S=CC=C1 547000041 GYZPBDSKPKLWET-UHFFFAOYSA-N 444.516 4.277 10 20 IICD Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2cnn(C(C)C)c2n1 726564704 QKQXCZGJHNHAJQ-UHFFFAOYSA-N 443.498 4.321 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3F)SC2=S)cc1 726626812 GRDSKFMIOQCVRY-ZSOIEALJSA-N 437.315 4.093 10 20 IICD CC(C)C(C)(C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 728003965 DLPFFXGUIHYHNY-ZROIWOOFSA-N 441.416 4.201 10 20 IICD CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 729048213 CLVXLFCGFLWWCB-GOSISDBHSA-N 426.517 4.113 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(Cl)c1OC 730439349 HILOLESPJYPKLV-JLHYYAGUSA-N 429.947 4.203 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1cccc2cnccc12 731184858 MUHACOUAYWYDHF-UHFFFAOYSA-N 426.524 4.044 10 20 IICD CC1CCN(C(=O)c2ccc(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nc2)CC1 732920910 FUTOJOUUMPUUBS-RTBURBONSA-N 440.563 4.319 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 734065664 HCPYQERRTPILPU-WBVHZDCISA-N 434.993 4.054 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c1 734072492 CKYRGNZQAWJOIO-KRWDZBQOSA-N 434.492 4.104 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](OC)c3ccc(Cl)cc3)CC2)cc1 736402969 NILZJQOPABRLLI-ZHRRBRCNSA-N 431.964 4.393 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(NC(=O)C2CC2)c1 742806915 UYXSQPWOFFBWLH-GOSISDBHSA-N 429.467 4.035 10 20 IICD COC(=O)COc1cccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 743294610 QKURKXCQOFCQSG-UHFFFAOYSA-N 425.529 4.329 10 20 IICD Cc1ccccc1O[C@@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 743676007 VURWDHAAGARXDM-KRWDZBQOSA-N 433.499 4.332 10 20 IICD C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NCCC(N)=O)c2C1 744595079 XOCGOLPYTWMVSH-DOMQTXCISA-N 442.563 4.029 10 20 IICD O=C(NCCc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCSCC2)cc1 745179607 PDVUBPVKPFWSAY-UHFFFAOYSA-N 428.989 4.416 10 20 IICD CCOc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 746540686 RKDOGKKXAAUQPE-OWBHPGMISA-N 433.580 4.162 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)c1 749731483 QILZZKWMEDPDSS-UHFFFAOYSA-N 441.578 4.268 10 20 IICD CC(C)c1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1-c1cccc(F)c1 751302183 KMOGKNASKQMOHD-UHFFFAOYSA-N 441.470 4.492 10 20 IICD O=Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)c(Br)c1 752088274 ZHOBBEPXNGNFBS-UHFFFAOYSA-N 444.281 4.168 10 20 IICD C[C@H](NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(N2CCOCC2)c(F)c1 753731272 CZHXDTLMISZIPJ-INIZCTEOSA-N 428.483 4.135 10 20 IICD C[C@H](NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccc2ccccc2c1O 756466372 QAMGZVDSVIBZOU-GHTZIAJQSA-N 434.536 4.070 10 20 IICD C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)cc(Cl)c1O 756470325 NWSPAHROCNJFAN-SNVBAGLBSA-N 433.755 4.030 10 20 IICD C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1cc(Br)cc(F)c1O 756602208 DEWGVHGTIJAQBW-GFCCVEGCSA-N 427.289 4.120 10 20 IICD COc1ccc(C(NC(=O)CN(C)c2ccc(OC)c(F)c2)c2ccc(OC)cc2)cc1 757850994 AWAKAILWDPWUFT-UHFFFAOYSA-N 438.499 4.194 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760366189 VABQTGBNHVPUMC-UHFFFAOYSA-N 429.292 4.296 10 20 IICD C[C@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O 761357735 DRRFHTAPWRCBNY-MRXNPFEDSA-N 440.341 4.351 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccnc(Oc2ccccc2Br)c1 761645439 DVYRYBXVNVTUOY-UHFFFAOYSA-N 444.285 4.412 10 20 IICD CC1(C)C[C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccccc21 765279367 DSPGNRHNIPBBHE-HSZRJFAPSA-N 431.559 4.455 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 770254613 LIFMSDOHDFERJW-UHFFFAOYSA-N 427.520 4.200 10 20 IICD Cc1ccc2cccnc2c1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 777989399 NAVZAXDCAHISTL-UHFFFAOYSA-N 447.507 4.092 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)ccc21 778721648 ZSQGNCPYMQNVFK-YLJYHZDGSA-N 443.588 4.280 10 20 IICD Cc1ccc(C2CC(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)C2)cc1 783548791 CVTNIKIBFAPLQK-UHFFFAOYSA-N 431.559 4.287 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1 785547778 VLNBMLWIWNGVSI-HSZRJFAPSA-N 425.573 4.013 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCOc2c(F)cccc21 785587135 DNWAMABXDSNLLJ-LIRRHRJNSA-N 435.446 4.219 10 20 IICD CCCCOc1cccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 787212583 BDVBWCBIMCWPKN-UHFFFAOYSA-N 437.584 4.131 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 788243180 FMEPLSZPNUDDBH-PKTZIBPZSA-N 431.621 4.211 10 20 IICD COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(Br)c1 789131443 YASOLODVKVYZAN-RIYZIHGNSA-N 435.324 4.037 10 20 IICD COc1ccc(CN(CCc2ccccn2)Cc2ccc(N3CCOCC3)c(F)c2)cc1 793348350 KEQDJCGUQYDRPJ-UHFFFAOYSA-N 435.543 4.311 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Cc3cccc(Br)c3)cs2)cc1 795586655 FFWWMEUZZAASPC-UHFFFAOYSA-N 445.338 4.047 10 20 IICD CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCOC)c1cc(Cl)cc(Cl)c1O 806155258 OIJOXXVEBLCLHR-MOPGFXCFSA-N 425.356 4.114 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccnc(Oc2ccccc2)c1 807512624 ANLLWMJBBXIODL-UHFFFAOYSA-N 432.263 4.141 10 20 IICD NC(=O)c1ccc(OCC(F)F)c(NCc2ccc(OCc3ccccc3)cc2O)c1 811521090 ZGNDYQURFGUAQO-UHFFFAOYSA-N 428.435 4.326 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1 812889172 NMUVQXZOSGXTMH-VWLOTQADSA-N 435.568 4.117 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2n1C(F)F 838698156 ULKSWKKLFHAXQV-MRXNPFEDSA-N 443.498 4.171 10 20 IICD COC(=O)c1cc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2o1 916626226 XCMMZEGQDLFRFT-UHFFFAOYSA-N 425.510 4.094 10 20 IICD Fc1cc(CNC(=S)Nc2ccc(SC(F)F)cc2)ccc1N1CCOCC1 917581184 PVIWLYKEDXSSAI-UHFFFAOYSA-N 427.517 4.464 10 20 IICD Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C 917710050 AGFNPMZXNGEKQH-ROUUACIJSA-N 436.531 4.172 10 20 IICD Cc1ccc(CN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C(C)C)s1 920091338 RGELFJHBOWZWRE-HDICACEKSA-N 447.620 4.336 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920927382 WDKWJWGEEOZICM-LJQANCHMSA-N 445.519 4.131 10 20 IICD CCn1nc(C(C)C)cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1318838207 LECLXJWMSJKGFX-HXUWFJFHSA-N 443.592 4.088 10 20 IICD CCc1cnc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)s1 1844381835 REFRBMMLIPWCGY-UHFFFAOYSA-N 448.592 4.244 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)n1-c1ccccc1 3381138 LHCKNUKGVHKEDU-UHFFFAOYSA-N 447.459 4.130 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2F)C[C@@H](C)O1 729496979 MUBOGXNGYPNGDT-FUHIMQAGSA-N 429.511 4.278 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)cc2)CC1 731116982 MCSBHJJVCKXXDZ-DEOSSOPVSA-N 434.584 4.086 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)CN(Cc3ccccc3O)C3CCCC3)cc2)C[C@@H](C)O1 731845707 IDOHGDXFGJYMNO-WOJBJXKFSA-N 437.584 4.389 10 20 IICD CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc2c1C 732526347 OSBTXNUOADNEDE-UHFFFAOYSA-N 445.566 4.182 10 20 IICD Cc1cccnc1[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)C 734348086 MRHYOOZCIAURTB-HXUWFJFHSA-N 443.459 4.201 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 735993751 MVGTUPAYHGFSHI-UHFFFAOYSA-N 434.283 4.083 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1C 736332267 BOHSXWPMHOTZRL-UHFFFAOYSA-N 429.586 4.201 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1c(F)cc(Br)cc1F 743214317 HTARWOCXRIVWID-UHFFFAOYSA-N 444.251 4.025 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1c1ccccc1 743555065 PCNCARSGSCBKNB-HRAATJIYSA-N 433.474 4.445 10 20 IICD C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)N(C)Cc1ccccc1O 746363831 KJQDNOPNRWZOFX-ZDUSSCGKSA-N 447.322 4.102 10 20 IICD Oc1ccccc1CN(C[C@@H]1CCCO1)C(=S)NCc1ccc(Br)cc1 747646373 MNRKYZVKZBOMKR-SFHVURJKSA-N 435.387 4.210 10 20 IICD Cc1cccc(-n2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2C)c1 751405859 NJVNWGGIYKREPI-DEOSSOPVSA-N 432.568 4.377 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)c(F)c3)SC2=S)cn1 753996901 YPQYIFNXCFTLDP-MKMNVTDBSA-N 431.436 4.389 10 20 IICD Cc1cnc([C@H](N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)s1 754420651 XLIBXFZPPZPSIW-SPLOXXLWSA-N 445.544 4.295 10 20 IICD CC(C)(C)CC(=O)N1CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 756891924 GXCZZWLBDIYNLZ-UHFFFAOYSA-N 441.538 4.059 10 20 IICD COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760188777 QZPRJRUCMOQUMH-KRWDZBQOSA-N 437.487 4.016 10 20 IICD CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 761998941 CASDHUHZCBCMNK-AWEZNQCLSA-N 441.933 4.049 10 20 IICD C[C@@H](NC(=O)N1Cc2ccc(Br)cc2C1)c1ccc(N2CCOCC2)cc1 765240284 IYDREKHBMQLHQS-OAHLLOKOSA-N 430.346 4.072 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc2c(c1)nc(O)n2C1CCCC1 765750518 HOXWFBJHXKTOFU-UHFFFAOYSA-N 430.302 4.255 10 20 IICD COc1ccc(-n2ccc(CN[C@H](C)c3ccc(N4CCOCC4)cc3Cl)n2)cc1 765755049 CABVYWHQCKBKDJ-QGZVFWFLSA-N 426.948 4.222 10 20 IICD COC[C@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 767248212 FXJVBQDSNBAMKQ-YSKWHIJTSA-N 438.640 4.005 10 20 IICD COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 768118735 NNPGGEMRJAEVKZ-FQEVSTJZSA-N 430.464 4.169 10 20 IICD C[C@@H](N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1ccc(N(C)C)cc1 774481841 IFBUTBHUVRKYDO-CJAUYULYSA-N 431.536 4.190 10 20 IICD Cc1ccc(Br)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783316821 NNWBXFAKWXSMSY-UHFFFAOYSA-N 432.362 4.199 10 20 IICD COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 783569006 GUWOMEKQAVEQPS-HXUWFJFHSA-N 438.902 4.284 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)cc1Cl 784029054 WWFGECWDKIQQGO-UHFFFAOYSA-N 425.710 4.185 10 20 IICD C[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(Br)ccc1O 786980334 RKCKUJHQNCPJOE-KPZWWZAWSA-N 439.300 4.275 10 20 IICD Cc1sc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1C(C)C 789897065 SKJRHSRDBNFXCK-UHFFFAOYSA-N 441.519 4.289 10 20 IICD Cc1nc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2)n[nH]1 800718516 AHOIDGDOTCHDDS-QAPCUYQASA-N 430.984 4.092 10 20 IICD CC[C@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1cc(Cl)cc(Cl)c1O 806161858 OKELCXWKKWHGKC-SFHVURJKSA-N 432.369 4.360 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1F 806892590 JRAJGBHNFQLLFD-UHFFFAOYSA-N 446.573 4.420 10 20 IICD CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807672521 ZURXZCAMQVPPGX-SFHVURJKSA-N 433.552 4.187 10 20 IICD O=C(NCc1cccc(-c2cccnc2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 807685827 QLYNGOKCULPHNE-UHFFFAOYSA-N 443.547 4.432 10 20 IICD Cc1cc(-c2csc(NC(=O)C[C@@H]3CCCC(=O)N3)n2)c(C)n1-c1ccc(F)cc1 807976008 JVXVIIIBTOWXOV-INIZCTEOSA-N 426.517 4.354 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(OC(F)F)c(F)c2)c1 815404193 ZBAWSZYKVDCJQU-UHFFFAOYSA-N 443.425 4.171 10 20 IICD CCOc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc(OCC)c1OCC 917383802 NLZKIYSTJYYAOX-UHFFFAOYSA-N 444.597 4.366 10 20 IICD COc1cccc(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)c1 1115946542 LGLJGTIDIMXONV-UHFFFAOYSA-N 435.524 4.375 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 1320437071 SCUIVQKSXNSHCQ-SFHVURJKSA-N 443.496 4.178 10 20 IICD CCOC(=O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(OC)c(Br)c1 1321504283 GNLBPIXEQODVQH-OAQYLSRUSA-N 447.373 4.452 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1Cc1ccco1 1337686947 LAUZQFZSLSVKGI-QZTJIDSGSA-N 439.531 4.429 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1343743657 SCKHDDQPBJJYSD-VORXZUAXSA-N 430.596 4.448 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1)c1cc(O)nc(O)c1 1788427755 MWCJWHYYRXSPQQ-UHFFFAOYSA-N 437.883 4.208 10 20 IICD Cc1csc2nc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)cc(=O)n12 22239572 QDIDQVQLAAMIPT-SFHVURJKSA-N 438.578 4.399 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@H]3CC(=O)c3cccs3)ccc21 440364488 LCJLLSKQACRRQQ-LJQANCHMSA-N 440.565 4.080 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc21 484919530 VLWOIPCJCBOOLZ-UHFFFAOYSA-N 449.599 4.089 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(C4CC4)s3)c2C)cc1 729773896 ULFKWHGGZREKRG-UHFFFAOYSA-N 438.505 4.254 10 20 IICD O=C(NCCCSc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 733880908 RFNOLIGORXOWJR-UHFFFAOYSA-N 445.031 4.182 10 20 IICD CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CC=CC2)cc1 741091002 USCHUSJSQSHQGV-UHFFFAOYSA-N 446.517 4.355 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)c(Br)c2)cc1 742602409 QOFQBZGSHCUQJP-SFHVURJKSA-N 435.337 4.476 10 20 IICD COc1ccccc1C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 747948764 HGCFXIHIFBKOCC-CVDCTZTESA-N 425.573 4.159 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)n1 751011240 LDNGWLCNTDSUNY-KRWDZBQOSA-N 435.528 4.327 10 20 IICD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 751380706 DKJDJWBBRDOUOZ-UHFFFAOYSA-N 435.572 4.070 10 20 IICD CCn1c(/C(Cl)=C/c2ccc3c(c2)CCN3C)nc2cc(S(=O)(=O)N(C)C)ccc21 751522020 IHBDFBVGQCOPJQ-AQTBWJFISA-N 444.988 4.036 10 20 IICD Cc1cc(C(=O)OC2CCN(c3nncc4ccccc34)CC2)c(C)n1-c1ccccn1 751856118 BWNVEZKELXXJBT-UHFFFAOYSA-N 427.508 4.258 10 20 IICD COc1cc(N2CCN(C(=O)NCc3ccc(C4CCC4)cc3)CC2)cc(OC)c1OC 755294717 BEAMDFBDNXKYOZ-UHFFFAOYSA-N 439.556 4.012 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1 756770141 TVLINLJJSFLPLJ-DYESRHJHSA-N 446.588 4.431 10 20 IICD CCOc1cccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1OC(F)F 756955866 FYVMRYCVBUHWBC-UHFFFAOYSA-N 449.498 4.164 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)CC2)cc1 757910965 XJHLLENJGVAFCM-UHFFFAOYSA-N 443.551 4.355 10 20 IICD Cc1cc(Br)ccc1/C=C1\SC(=S)N(c2ccc(C(N)=O)cc2)C1=O 759117332 LVGSTKMYTVTEJD-DHDCSXOGSA-N 433.352 4.262 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c1 759504023 MULYLGABEZGOJF-CYBMUJFWSA-N 442.418 4.287 10 20 IICD COc1cc(N2CCN(Cc3ccc(Cl)c4cccnc34)CC2)cc(OC)c1OC 759872061 HBGMBFIKJBQYIE-UHFFFAOYSA-N 427.932 4.236 10 20 IICD Cc1cc(C)cc([C@H]2NC(=O)N(C3CCN(c4ccc(OC(F)F)cc4)CC3)C2=O)c1 761154699 CVECQWAZYDQQBE-HXUWFJFHSA-N 429.467 4.167 10 20 IICD Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 762271951 NTQPSWWCALANPK-QHCPKHFHSA-N 425.548 4.450 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2cc(Br)cs2)n1 763278875 GJHIUPNRPXATSK-VIFPVBQESA-N 439.356 4.406 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCO[C@H](c2ccccc2)C1 765324306 MGMWSHAJOLQTCN-UGKGYDQZSA-N 445.510 4.476 10 20 IICD CC(C)(C)OC(=O)N(CC(=O)NCc1cccc(Br)c1O)c1ccccc1 765737229 SESBIBGBLRRDTR-UHFFFAOYSA-N 435.318 4.213 10 20 IICD C[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1Cl 766217424 ZZDSPEQMKDFQRS-QGZVFWFLSA-N 428.939 4.395 10 20 IICD C[C@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 773097098 YTDWLHSKOKJSQP-IBGZPJMESA-N 428.548 4.209 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)nc1-c1ccccc1 775208654 OGTAGTDWEBQVEB-UHFFFAOYSA-N 447.586 4.039 10 20 IICD COc1cccc([C@@H](NCc2cc(OC)c(OC)cc2O)c2cc(F)ccc2OC)c1 776232725 YPHHZWPHJCUTRH-XMMPIXPASA-N 427.472 4.445 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)cc1OC(F)F 789814502 MNIHYSIXVXEXII-UHFFFAOYSA-N 430.245 4.427 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccnn3-c3ccccc3OC)SC2=S)cc1F 797397509 DMNNBNBIEWHQDU-UNOMPAQXSA-N 441.509 4.434 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(CC(F)(F)F)CC3)cc2Cl)C1 799896821 HYXOAMNTTOVLFM-OAHLLOKOSA-N 446.945 4.402 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2Cl)C1 800049287 OKTWZLNEMMRTIC-INIZCTEOSA-N 439.943 4.160 10 20 IICD C[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(N(C)C)cc1 807460710 KZSIQOIPVSOSIU-KOSHJBKYSA-N 433.527 4.169 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(Cc4cccs4)CCCCC3)cc2)C1 810182304 BDDBEFRZZZYIRP-HXUWFJFHSA-N 439.625 4.259 10 20 IICD CC(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCO1 819416997 NECOTWUOUMBQEI-QRYYFKOISA-N 438.640 4.003 10 20 IICD Cc1nccc(-c2cccc(NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)n1 915214288 ZWMBBGIYCQZWIB-UHFFFAOYSA-N 448.482 4.278 10 20 IICD COc1ccc(Cl)cc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 915748288 DHNVXWPIXVVVRM-UHFFFAOYSA-N 425.916 4.054 10 20 IICD O=C(NCCSc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 915926146 XMHBZXJVZQIRKW-UHFFFAOYSA-N 439.503 4.134 10 20 IICD CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)cc3)SC2=S)cc1 916662828 OOMQPMXMQIRNMR-LDADJPATSA-N 429.519 4.043 10 20 IICD COc1ccc2ccc(O)c(CN3CCN(Cc4c(C)nc5cc(C)ccn45)CC3)c2c1 917069910 HLYQKHRGFGXXPE-UHFFFAOYSA-N 430.552 4.136 10 20 IICD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc(N2CCSCC2)cc1 917386628 IJCYVMWTXJLNPH-LJQANCHMSA-N 448.013 4.013 10 20 IICD CN(c1ccccc1)c1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917394240 CKSQHRGWDLYGEF-HSZRJFAPSA-N 428.580 4.446 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)n1 917709213 FANXDYHZJYAJKL-OALUTQOASA-N 436.531 4.172 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(Br)c3)cc2F)C[C@@H](C)O1 917709966 LAQRLVKOBOMPOS-IYBDPMFKSA-N 449.364 4.451 10 20 IICD COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918221062 NJFSZRFBNLASGP-KSZLIROESA-N 429.536 4.351 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 919656136 ZFKPNGADFXATIK-UHFFFAOYSA-N 447.583 4.117 10 20 IICD Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 919765497 DTANDKPQVVVEND-UHFFFAOYSA-N 449.599 4.385 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 1320320884 VTOIRIWDGWCPOO-QFIPXVFZSA-N 436.943 4.064 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CCCS2)cc1 1793643285 GAOPXGGLLXLSRY-QQFNCUIESA-N 435.593 4.367 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739450 JCRCHTKWERYFAX-BPAFIMBUSA-N 448.991 4.421 10 20 IICD COc1ccc(N2CCCN(C(=O)CSc3ncnc4sc(C)c(C)c34)CC2)cc1 108428548 ZYRBWEMTQTWYPO-UHFFFAOYSA-N 442.610 4.148 10 20 IICD Cc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)c(N2CCCC2)n1 545661510 AZJYFWGQFHYDRI-UHFFFAOYSA-N 445.548 4.232 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)CC2)cc1 726609439 ZVMZTOKLYHVFLI-KRWDZBQOSA-N 443.617 4.174 10 20 IICD CN(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S)c1ccccc1 726627184 OMBJDIYQYKPUOK-HKWRFOASSA-N 426.563 4.186 10 20 IICD COc1cccc(CC(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)c1 726960842 GVADXOLNEQRQEV-UHFFFAOYSA-N 430.504 4.187 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1CSC1=NCCS1 728302199 QZMDBDXFZSXPMG-UHFFFAOYSA-N 441.622 4.131 10 20 IICD Cc1oc2c(CN3CCC[C@@H](N4CCCC4=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 732187372 SCPLMJANYYKHBD-LJQANCHMSA-N 432.520 4.061 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC1CCOCC1 738961738 ZEVUVAODZODOHL-UHFFFAOYSA-N 439.556 4.053 10 20 IICD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 740860604 GJPJAHCFEDBAMB-UHFFFAOYSA-N 431.448 4.158 10 20 IICD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc(N2CCCCC2)cc1 742476224 OSNFJCKAJUUCSW-FQEVSTJZSA-N 429.973 4.450 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 743081994 KOKRRGOZICKFGW-UHFFFAOYSA-N 432.318 4.118 10 20 IICD O=C(NCCCOC1CCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743518197 FPQNDMAHWWYECZ-KRWDZBQOSA-N 425.520 4.295 10 20 IICD O=C(NCc1ccccc1OC(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743521979 UQSPQDYEBMMSOA-HNNXBMFYSA-N 441.425 4.358 10 20 IICD Cc1nc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)cs1 744280182 FQBLBIHEPSGRID-UHFFFAOYSA-N 440.544 4.094 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 747934310 KMHNJYIEPPSPSE-DVBNTOJCSA-N 436.571 4.452 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cn(CC(C)C)cn3)n2)cc1Cl 748636386 JYGQQNIHWZBFFU-UHFFFAOYSA-N 426.951 4.125 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCCCSc1nccs1 749731749 YVYVCSKBFRYYTI-UHFFFAOYSA-N 441.578 4.268 10 20 IICD CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)cs1 750058188 ZZIIHHMJKOUSAB-HNNXBMFYSA-N 437.993 4.120 10 20 IICD CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751305129 BPDKYYIDHSWUPP-GOSISDBHSA-N 428.492 4.324 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccc(N2CCOCC2)cc1 752919595 ZDXOYECRGHJNEJ-DLBZAZTESA-N 427.549 4.075 10 20 IICD O=C(O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NCc1c(O)ccc(Cl)c1F 756381556 HRHSZRIOVROUFQ-CQSZACIVSA-N 441.684 4.214 10 20 IICD C[C@@H](N[C@@H](CO)Cc1ccccc1)c1cc(Br)cc(Br)c1O 756586830 VFUPJHFBVMOSSX-BXUZGUMPSA-N 429.152 4.171 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(-c4c(F)cccc4F)c3)cc2)C1 756937883 DRWZRBMCLVDTFQ-FQEVSTJZSA-N 449.501 4.264 10 20 IICD CCOCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCCC1 760741580 CUIYGVOWGTYRJX-KDURUIRLSA-N 435.584 4.226 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(Br)c([N+](=O)[O-])c1 765318275 JIFMNDOVDVEAJK-UHFFFAOYSA-N 445.067 4.147 10 20 IICD C[C@@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765852325 VGRWWKOMGOWPLN-MSOLQXFVSA-N 438.012 4.474 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccc(N(C)C)cc1 773849548 VXGJHXNCSGKMLP-KRWDZBQOSA-N 435.499 4.287 10 20 IICD CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)CC1 775301376 DPAQTKOCRWEFOF-OAHLLOKOSA-N 433.955 4.380 10 20 IICD C[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(N2CCOCC2)cc1 776010155 ZTRRZFCLUXPNRG-ORAYPTAESA-N 443.416 4.465 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CCCCS1 784110137 BIUNQIQRXHFKDN-ADVGAGMGSA-N 426.654 4.131 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F 784643961 QAYWBNDFRZZYOY-UHFFFAOYSA-N 444.434 4.218 10 20 IICD COc1ccc([C@H]2NC(=O)N(Cc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2=O)cc1O 804188874 SKGPKZAYNNKASO-SPLOXXLWSA-N 443.931 4.084 10 20 IICD CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 804990040 SYKUXDYYOVYPMS-UWJYYQICSA-N 427.545 4.052 10 20 IICD Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 806423948 LYERZHKFDHWPRC-LBPRGKRZSA-N 447.408 4.139 10 20 IICD C[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(N2CCOCC2)cc1 808305018 AXEWJNKAKQBUGE-OAHLLOKOSA-N 440.341 4.325 10 20 IICD CN1C(=O)CCN(Cc2cc(Br)cc(Br)c2O)c2ccccc21 809785863 FPYOQHRKZNYCIN-UHFFFAOYSA-N 440.135 4.290 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1Cl 816889898 QAZOHEKAAOIEQV-UHFFFAOYSA-N 443.809 4.034 10 20 IICD CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 914517551 XBPFZIFXGNSQIZ-UHFFFAOYSA-N 436.370 4.315 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 915222792 ZQTNHFXAKOETFX-UHFFFAOYSA-N 439.902 4.490 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(Cc4ccccc4)n3)cc2F)C[C@H](C)O1 916711744 ZTUWVYKSTSUNBW-ROUUACIJSA-N 437.519 4.006 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1-c1cccc(Br)c1 917932194 ZNSFBOQQULROBL-UHFFFAOYSA-N 440.297 4.440 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 918128874 XSKLVBFTKWYIMB-UHFFFAOYSA-N 446.576 4.164 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 918183239 JVTAAQNNWVPNGM-AWEZNQCLSA-N 439.453 4.366 10 20 IICD COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918221658 QTKUSLDZSGCZQU-IYBDPMFKSA-N 449.954 4.443 10 20 IICD C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(N2CCOCC2)cc1 1319923550 OTEGWWRBQOHLKU-GJZGRUSLSA-N 437.462 4.385 10 20 IICD Cc1sc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 1330040467 KQCVQAPWIQGAGO-UHFFFAOYSA-N 432.405 4.174 10 20 IICD CCOC(=O)c1c(NC(=O)Cn2cc(C3CC3)nn2)sc(C)c1-c1ccc(F)cc1 1340356658 LKOKBRVWTAFWEB-UHFFFAOYSA-N 428.489 4.147 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1 1787625282 WLADSNMIRYWTLK-NTUHNPAUSA-N 434.492 4.061 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccnc(F)c2)cc1 1793791977 UKFBDWBUTITKKN-UADZTWIMSA-N 446.526 4.194 10 20 IICD O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(N2CCC(O)CC2)c(F)c1 71939538 YALUGWRKHLSAKN-UHFFFAOYSA-N 440.490 4.435 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1)c1ccccc1 109859504 QFKDEZMSZRDVJE-QHCPKHFHSA-N 444.579 4.404 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4C)cs3)ccc21 302809507 LDYTTYCBYHXGCG-UHFFFAOYSA-N 427.551 4.137 10 20 IICD CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 303212075 OZZMUCZGNNMTON-UHFFFAOYSA-N 438.572 4.292 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F 303755247 BIUPIZUNVQNGHY-UHFFFAOYSA-N 448.894 4.016 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)ccc21 483468386 WYHKYZKGUBPYKP-UHFFFAOYSA-N 448.567 4.246 10 20 IICD COc1ccc(Cn2nccc2NC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1 548722528 HRVIOLYPYAVQPS-UHFFFAOYSA-N 433.512 4.070 10 20 IICD CC(C)CC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 726242923 CPXZLTZVFCJTPY-LJQANCHMSA-N 438.572 4.068 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)c1 729063214 HTMQJWIIBFTINZ-HNNXBMFYSA-N 443.519 4.125 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4ccncc4)cc3)CC2)cc1 729570377 HIWAFDZORBRTNP-UHFFFAOYSA-N 432.524 4.413 10 20 IICD CCN(C1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1)S(C)(=O)=O 731350370 UFLLYIUJTHGJDP-UHFFFAOYSA-N 445.629 4.104 10 20 IICD O=C(NCCCSc1nccs1)c1cn(Cc2ccccc2)nc1-c1cccnc1 733972662 USMRZFVMLQHATH-UHFFFAOYSA-N 435.578 4.362 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 734065975 LLTCZTYYCDBDPA-OAHLLOKOSA-N 437.471 4.353 10 20 IICD Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cn1 735518249 RORRJNOUTXPRBC-DEOSSOPVSA-N 432.520 4.496 10 20 IICD C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3nn[nH]n3)c2C1 736157138 RQFLTFZFKMRRFT-YIQZXQSLSA-N 439.523 4.189 10 20 IICD COc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 746221553 UAYLFKSEGUURIF-OAHLLOKOSA-N 437.462 4.111 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 749162806 BSWGTVILMPFJOF-QHCPKHFHSA-N 432.568 4.182 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 749730989 IFYVDIVBXGCZER-UHFFFAOYSA-N 448.957 4.221 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cn4cc(Br)ccc4n3)cs2)cc1 751931709 PLCYEBHSBWQSIP-UHFFFAOYSA-N 443.326 4.083 10 20 IICD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 752089259 SPCOWHIZXQYYRM-MRXNPFEDSA-N 442.512 4.414 10 20 IICD Cc1cc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)s1 754117741 CMUNGOIOWWHNPU-ZOBUZTSGSA-N 433.593 4.085 10 20 IICD CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c1 756327931 WNGBZFMINIDBNO-UHFFFAOYSA-N 435.524 4.108 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cc(F)c1O 756409936 CGTZGNFLMXEXON-LBPRGKRZSA-N 439.300 4.388 10 20 IICD C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)cc(Cl)c1O 756432296 PKSIBMBBTVVDBO-CQSZACIVSA-N 439.781 4.491 10 20 IICD C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(OC(C)(C)C)CC1 759388354 HCTKPGFEDLVZPM-INIZCTEOSA-N 434.536 4.069 10 20 IICD Cc1ccc(C[C@H](c2ccccn2)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761300790 HGMVPZCSZJUQJS-OAQYLSRUSA-N 435.911 4.497 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)Nc4ccc(O)cc4)CC3)c2C)cc1 761750342 PDRKILUZFBOSSW-UHFFFAOYSA-N 447.535 4.299 10 20 IICD COc1cc2c(cc1NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)oc1ccccc12 762782315 OGXUQSMHYBULAS-UHFFFAOYSA-N 437.540 4.112 10 20 IICD CCOc1cccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)n1 763109266 QJDAVRGBCLLJPD-HMMYKYKNSA-N 439.606 4.346 10 20 IICD CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 765429555 YDNHVCKEHTUKCV-UHFFFAOYSA-N 427.522 4.402 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1cccc(Br)c1O 765542752 PMLDHURXVNZJTE-APPDUMDISA-N 427.726 4.384 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(Br)c(Cl)c3F)CC2)cc1 766342935 RKYKBDZVXWJJPH-UHFFFAOYSA-N 427.701 4.213 10 20 IICD O=C(Nc1cccc2cccnc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769614521 LVFFYKMJOYQYAZ-UHFFFAOYSA-N 425.491 4.055 10 20 IICD CC(C)[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(C(F)(F)F)c1 774419126 MBLFHYDPLVWKBE-NRFANRHFSA-N 440.531 4.427 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(F)c(Cl)c1 776713398 SYFWRTVPCPMPBY-UHFFFAOYSA-N 440.905 4.324 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776744431 TVBAQMVRDHUFQJ-UHFFFAOYSA-N 440.502 4.256 10 20 IICD Cn1cc(-c2ccc(F)c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)cn1 782275003 XKCIYMDCLZOISX-UHFFFAOYSA-N 444.457 4.226 10 20 IICD CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 783015632 DCESHQPZRUONDE-HZPDHXFCSA-N 427.504 4.097 10 20 IICD O=C1/C(=C/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)SC(=S)N1c1cccnc1 783700169 KCDVBCQKNKMKJB-UUASQNMZSA-N 434.333 4.375 10 20 IICD Cc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C2CC2)cc1 785820829 PHZLCLXZHIDTMG-RUZDIDTESA-N 445.563 4.450 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H]3CCSc4ccc(OC)cc43)CC2)cc1 786568872 AZTZTZLUZUQLJE-HSZRJFAPSA-N 427.614 4.043 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 792890596 VYFGNHWIAROTNK-UHFFFAOYSA-N 443.535 4.092 10 20 IICD CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cn1 797785076 SRHTTXSOFJPQLZ-CPNJWEJPSA-N 446.557 4.354 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ccn(C)c4c3)cc2Cl)C1 800636564 LBDPPYQADTURBZ-INIZCTEOSA-N 438.959 4.323 10 20 IICD Cc1cc(C)cc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 805135658 WOQFPEMKRHBUQX-FQEVSTJZSA-N 433.552 4.369 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)cc2C)c(C)cc1Br 806738936 SVXSOYCUXWPNPD-UHFFFAOYSA-N 434.334 4.240 10 20 IICD CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)s1 808529912 YHYXMRDJYIHAAH-UHFFFAOYSA-N 448.473 4.045 10 20 IICD O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 818737321 DVLVNTUTXJCOCL-HNNXBMFYSA-N 444.534 4.011 10 20 IICD C[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914110011 YBVGVVPPSQVFME-DYTQJMLRSA-N 439.400 4.051 10 20 IICD COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918026209 AHYARDSISRLHLA-SFHVURJKSA-N 438.572 4.016 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1C 920292329 FJJXWNWLOBYMQQ-DEOSSOPVSA-N 431.536 4.450 10 20 IICD CC(C)c1noc(-c2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)n1 110957614 GUYWMSOYNIZZTM-UHFFFAOYSA-N 449.555 4.390 10 20 IICD COc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OCC(F)(F)F 237249221 NUTQOFJHDZSSAI-UHFFFAOYSA-N 442.453 4.026 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C(=O)N=c4cc[nH]cc4)c3)ccc21 483523936 KNLXUHDIPZKNGF-UHFFFAOYSA-N 442.519 4.226 10 20 IICD C[C@@H](NC(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccc(N2CCOCC2)cc1 726244188 BBRRNRYGFNQLAV-LJQANCHMSA-N 438.572 4.190 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1)c1ccccc1 726250308 VMYABRSQKIIKMR-DEOSSOPVSA-N 448.611 4.053 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCCOc3ccc(Cl)cc3)CC2)cc1 726610624 MQVYRGHPBBLPMD-UHFFFAOYSA-N 431.964 4.476 10 20 IICD CC(C)CCOC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726718595 HTWGBYUEVIHGLT-UHFFFAOYSA-N 439.547 4.494 10 20 IICD CN(C)c1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1F 727861579 XCQSMDROEHMAAP-DEDYPNTBSA-N 444.553 4.107 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 729534851 DLNXJKTUXODLCK-XIKOKIGWSA-N 437.323 4.190 10 20 IICD Cc1cc(C(=O)CSc2nnnn2C2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1 729937261 QXGUZJUOGGJPAA-UHFFFAOYSA-N 449.939 4.200 10 20 IICD C[C@H](NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 730904355 PHXKKAIDJXNMBX-UWJYYQICSA-N 443.519 4.103 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OC(F)F)c1 735328849 GBBBGDVBLVSFIJ-SOFYXZRVSA-N 437.445 4.431 10 20 IICD O=S(=O)(Cc1ccccc1)N1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1 735508892 QAUKGBJJGTWLTF-UHFFFAOYSA-N 436.577 4.143 10 20 IICD C/C(=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 742566909 RIVWQPLLKCNBLK-UIRWJGRMSA-N 445.485 4.127 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 745746158 ACPOEMDEMNVFCT-OAHLLOKOSA-N 426.399 4.197 10 20 IICD O=C(NCc1coc(-c2ccccc2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 745799534 JADNXIAEGIZPFB-UHFFFAOYSA-N 442.466 4.411 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 746473528 URTBKIGNEFUKCS-SFTDATJTSA-N 428.558 4.328 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4nc(C5CC5)sc4c3)cc2)C1 746674513 SUTTXIOFPMKRPG-QGZVFWFLSA-N 449.580 4.197 10 20 IICD CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2O)c1 748353021 IESARSVXLINQQA-UHFFFAOYSA-N 444.940 4.191 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 750861799 HZEAZQPETWFJSB-UHFFFAOYSA-N 438.549 4.270 10 20 IICD C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1(F)F 753029096 KWQYKKFFQRGAKH-LQELWAHVSA-N 430.567 4.233 10 20 IICD CC(C)c1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1 753158590 NAHWFPDLNZAEQK-UHFFFAOYSA-N 433.556 4.496 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)cc2)CC1 756692485 UPKPUBPDNGMSAI-VXKWHMMOSA-N 443.613 4.019 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](c3ccccc3C)C3CC3)CC2)cc(OC)c1OC 760119115 XATJLGGOKXVGHS-QHCPKHFHSA-N 439.556 4.004 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 761630890 ASCRVYAGQSHBPZ-UHFFFAOYSA-N 425.872 4.368 10 20 IICD CC1(C)[C@@H](OCc2ccccc2)C[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762158308 OOTJUJLKEMPOAR-UXHICEINSA-N 428.916 4.194 10 20 IICD CCc1cc(Br)ccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 764253650 MNHBUROTYUOPRO-UHFFFAOYSA-N 432.362 4.065 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765283294 YSKAYQRLERXGEK-BVZFJXPGSA-N 449.549 4.495 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 765751134 PFOMKTAXHCBLFN-ZIAGYGMSSA-N 425.120 4.337 10 20 IICD CCOCc1cc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1OC 767189382 BXNHUJIWOBLSNV-IBGZPJMESA-N 436.474 4.141 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccc(Oc2cccc(Br)c2)nc1 768899652 LCNKUNVUMDBDEN-UHFFFAOYSA-N 429.270 4.020 10 20 IICD CC1=NN(c2ccc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2)CC1 770354376 FDZOQGLKGSXHGL-HXUWFJFHSA-N 426.948 4.026 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(F)(F)F)cc1Cl 775539974 WOJICHPWIXIYJA-UHFFFAOYSA-N 430.829 4.389 10 20 IICD C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(N(C)C)cc1 775718311 CLKJGJFVDAVHLY-QGZVFWFLSA-N 438.553 4.436 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC([C@@H](O)C(F)(F)F)CC1 775726605 VCTGDKQJKJMLPG-CYBMUJFWSA-N 447.089 4.052 10 20 IICD COc1ccc(N2CCC(Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)CC2)cc1 777677378 KGERRXUWJGLLRX-UHFFFAOYSA-N 444.579 4.268 10 20 IICD Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 777827095 WLFJQRGPVAEYEB-GOSISDBHSA-N 429.524 4.169 10 20 IICD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 780045485 AFJQWKJXHGVORP-QGZVFWFLSA-N 435.490 4.315 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc(F)ccc2Cl)cc1 782423771 LNKKDYLIQFXNJP-UHFFFAOYSA-N 429.879 4.306 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1 784106807 NKYZNHUXIHSSGK-UHFFFAOYSA-N 431.496 4.013 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3ccccc3OC(C)C)cc2)CC1 787880167 QDMSREBRBROIAD-HXUWFJFHSA-N 437.584 4.204 10 20 IICD CC(C)[C@H](CNCc1cc(Br)cc(Br)c1O)c1ccnn1C 788267891 UUOWXDRRFOZCCM-ZDUSSCGKSA-N 431.172 4.180 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C 791247472 ZQZOSUGSYYJARK-UHFFFAOYSA-N 446.551 4.454 10 20 IICD CC[C@H](C)n1c(SCC(=O)NCc2ccc(OC)cc2O)nnc1-c1ccccc1 794378961 KYCSUPSXFREKEO-HNNXBMFYSA-N 426.542 4.039 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(CCCCC(F)(F)F)C3=O)cc2)CC1 794861368 HPBDYPKTVQENRR-VKAVYKQESA-N 443.560 4.372 10 20 IICD OC1CCN(Cc2ccccc2CNCc2ccc3c(c2)CCN3Cc2ccccc2)CC1 796317300 QYZOTABDQSGNKP-UHFFFAOYSA-N 441.619 4.496 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1OC 799183586 UTMGNZZNJFRKEY-UHFFFAOYSA-N 444.943 4.121 10 20 IICD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 799471750 GVTRJZPMABVSPL-KRWDZBQOSA-N 432.590 4.022 10 20 IICD COc1cc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC 799986643 XRUQBYGOCMWAOX-DLBZAZTESA-N 443.500 4.109 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)cc2Cl)C1 807209906 SJZSAHIKSWFENA-HYVNUMGLSA-N 447.929 4.279 10 20 IICD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807512778 IZUSKSACYQDHTF-UHFFFAOYSA-N 438.094 4.269 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C 807513036 QCIZGHFBZMHGJU-UHFFFAOYSA-N 438.311 4.001 10 20 IICD CC[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1O 810221363 FJGKNFJVZAMUNP-GOSISDBHSA-N 429.527 4.078 10 20 IICD O=C(NCCCSc1nccs1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 813451220 ISMZPTXJBVQMSL-UHFFFAOYSA-N 442.603 4.057 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cccc(O)n3)c2C)ccc1Br 814474572 CLSOLPWRGCUTNN-UHFFFAOYSA-N 443.297 4.305 10 20 IICD Cc1cc(CCNC(=O)NCc2cccc(C(=O)NC3CC3)c2)c(C)n1-c1ccccc1 916220793 AYQDEYOMGLQTMU-UHFFFAOYSA-N 430.552 4.028 10 20 IICD Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2C)cc1 917713225 JQPMIZQDDYCRIY-QZTJIDSGSA-N 436.531 4.172 10 20 IICD CCOc1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1OC(F)F 918013366 UANUKOKTABEUBA-UHFFFAOYSA-N 449.498 4.117 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)C2CC2)cc1 918051733 BBCNBUAGKRRZLO-IBGZPJMESA-N 438.547 4.327 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 918080710 GCQCOQIFBIYFSL-YSIASYRMSA-N 429.580 4.287 10 20 IICD COc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918222802 XHKUQHMJKMJNES-IXFSTUDKSA-N 441.547 4.495 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@@H]2CCCC[C@H]2C1 1321732971 PVPFRXMPRMTFKC-WMZOPIPTSA-N 425.495 4.264 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 15134954 HWYNBDHZYIFKGA-UHFFFAOYSA-N 443.576 4.409 10 20 IICD COc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)NC2=S)c1 212545646 KRDWTKYLEXAWQK-SRZZPIQSSA-N 448.504 4.273 10 20 IICD Cc1c(CNC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)n(C)c2ccccc12 554644343 GYSNKLTZWNVVEY-UHFFFAOYSA-N 437.590 4.455 10 20 IICD CCSc1nccnc1-c1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1 580605593 UFQKLMDDYYCKBE-UHFFFAOYSA-N 434.569 4.408 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Br 726277207 ZZUPVAHFOFVAII-QGZVFWFLSA-N 449.345 4.054 10 20 IICD CC(C)(C)n1ncc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(Cl)c1=O 726593852 ASOCPORCRBKIEK-UHFFFAOYSA-N 426.895 4.334 10 20 IICD Cc1c(Br)cccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 727036107 ASPXRJPTRYQMQM-UHFFFAOYSA-N 444.373 4.345 10 20 IICD COc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 727224169 ISPLLJLBNZDTGQ-AWEZNQCLSA-N 434.334 4.177 10 20 IICD COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1 727225078 UKPCSNHLZMKAJY-MRXNPFEDSA-N 435.318 4.376 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 728695401 WEGGGXWVQJXJSC-NRFANRHFSA-N 431.540 4.306 10 20 IICD CCCOc1c(Br)cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1OC 728980522 IYLVICOFYBWHFJ-LBPRGKRZSA-N 438.318 4.452 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 731558833 PUOJEXCSLPVMHY-UHFFFAOYSA-N 429.567 4.483 10 20 IICD CN(C)c1ccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1F 733327560 VCIFEPSSKVHWKE-OAQYLSRUSA-N 425.470 4.074 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1-c1ccccc1 734740900 VQKZXLULIGNOFK-UHFFFAOYSA-N 447.494 4.004 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@](C)(O)C(F)(F)F)c(C)n1-c1ccc(OC(F)F)cc1 740751004 SXYZACKWYHTJBS-IBGZPJMESA-N 449.372 4.125 10 20 IICD Cc1cc(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)c(C)n1-c1ccc(F)cc1 742198835 ITTHMOOIUKIESF-UHFFFAOYSA-N 441.528 4.174 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)NC(=O)OC(C)(C)C)cc1 742751682 VTUBFWIIFWOLFG-INIZCTEOSA-N 441.359 4.383 10 20 IICD Cc1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c(C)n1-c1ccc(F)cc1 742795074 WJJISHCHZMMRNC-UHFFFAOYSA-N 433.483 4.388 10 20 IICD Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)C[C@H](C)O2 747890040 HPHCQVFBCCICLR-AWEZNQCLSA-N 442.427 4.106 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1 748981294 WPLDADXYXBJZCK-UHFFFAOYSA-N 427.520 4.200 10 20 IICD C[C@@H](NC(=O)N1CCc2c(Br)cccc2C1)c1ccc(N2CCOCC2)cc1 749416385 RUAVXLBWKUEFHN-MRXNPFEDSA-N 444.373 4.115 10 20 IICD Cc1ccc(-n2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2C)cc1 751408126 YFUGYTFNMUFLJK-DEOSSOPVSA-N 432.568 4.377 10 20 IICD O=C(Cc1ccc(OCc2ccccn2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 752152039 SKSPPZPZLMSNQB-XMMPIXPASA-N 432.520 4.117 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cnc5ccsc5c4)n3)ccc2N1 752191216 MQLXAANHSRDXMF-UHFFFAOYSA-N 442.547 4.105 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)ccc2O)cc1 756471749 XIUBSOGOHGQLCT-AWEZNQCLSA-N 441.391 4.036 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(Br)cc(F)c1O 756708338 POAPLIYJAHQTLF-ZUZCIYMTSA-N 427.701 4.403 10 20 IICD CCN(CC)C(=O)COc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)cc1Cl 756805722 TYTQOZRUBNSEPG-AWEZNQCLSA-N 434.920 4.253 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc(OC)c1OC 759241985 LAKORFYWSSEERI-UHFFFAOYSA-N 448.519 4.467 10 20 IICD O=C(NCc1nc2cc(Cl)ccc2s1)NCc1cccc(Br)c1O 764765293 BEODSYYCCVUARW-UHFFFAOYSA-N 426.723 4.417 10 20 IICD C[C@H](N[C@H](C)CC(=O)Nc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 765329309 IOLLRAJAQAOMEW-SJORKVTESA-N 446.389 4.354 10 20 IICD C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 766238486 UGENSTBJQZOXGJ-HOCLYGCPSA-N 442.503 4.150 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 767010722 UMIFBCSWCYLKOU-UHFFFAOYSA-N 436.552 4.460 10 20 IICD O=C(c1cccc(NCc2cccc(Br)c2O)c1)N1CCCC[C@H]1CCO 770525474 XDAAPRWSEJHYPY-SFHVURJKSA-N 433.346 4.144 10 20 IICD COc1ccc(N2CCC(NC[C@@H](CO)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 773070411 PKTBRTUMXWIOHY-SFHVURJKSA-N 438.490 4.003 10 20 IICD COc1cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(F)(F)F 773200509 OYEYNESUNMBKNO-CQSZACIVSA-N 425.451 4.263 10 20 IICD C[C@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1[N+](=O)[O-] 785407635 LDNQQSZUXKVLDK-LBPRGKRZSA-N 448.478 4.081 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2F)C[C@@H](C)O1 786710122 MQCUTDIPJINFPB-HBUWYVDXSA-N 431.474 4.312 10 20 IICD COCCCC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 792038072 IWPWTTVQCVEAQU-QFIPXVFZSA-N 429.536 4.020 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(Br)n1)c1ccc(N)cc1 793039768 BPQFIWZSWFXNRN-AWEZNQCLSA-N 439.313 4.159 10 20 IICD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCCSc1nccs1 806278569 VMKKPFYBOGPQPJ-NSHDSACASA-N 432.398 4.268 10 20 IICD CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 808483025 CDIPFFCIPZUIOW-GHRIWEEISA-N 444.443 4.335 10 20 IICD CCOC(=O)c1c(NC(=O)CN2[C@H]3CC[C@H]2CC(=O)C3)sc(C)c1-c1ccccc1 809983077 YXCLXTDXRRXCGM-IRXDYDNUSA-N 426.538 4.035 10 20 IICD CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812024897 WSIUBHCRFVYBIP-UHFFFAOYSA-N 435.572 4.219 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCC[C@@H](COC)C1 812161995 CYAKFSAKLGOZTM-OAQYLSRUSA-N 437.588 4.252 10 20 IICD Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCCO2)c1 812431259 DACDJSYUXGYRLX-OAQYLSRUSA-N 436.556 4.385 10 20 IICD CCCOc1c(Cl)cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 814269486 TYZXBMLYFMWDTD-PTNGSMBKSA-N 443.974 4.292 10 20 IICD Cn1ncc2c(O)nc(CSC3=NC(=O)/C(=C/c4csc5ccccc45)S3)nc21 814773483 SZDDRWVVLHRHDV-NSIKDUERSA-N 439.547 4.187 10 20 IICD Cc1sc(NC(=O)c2nc3nccc(C)n3n2)c(C(=O)OC(C)C)c1-c1ccccc1 913193399 MBBSIEJUBLWLEO-UHFFFAOYSA-N 435.509 4.287 10 20 IICD Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 914791721 VFEAGEZIBLEZNG-UHFFFAOYSA-N 433.942 4.457 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2nc(N3CCOCC3)sc2c1 915329504 MAHJEAHIHBHVSY-UHFFFAOYSA-N 437.569 4.055 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(COc2ccccc2)c1 918265507 IVKUHOZASBBBPC-UHFFFAOYSA-N 429.520 4.121 10 20 IICD CN(C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 918414007 GXBWRCKPKBNWQO-UHFFFAOYSA-N 445.523 4.297 10 20 IICD C[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(N2CCOCC2)cc1 920872292 LAIQGLLFBWUTAK-MRXNPFEDSA-N 442.947 4.186 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)ccc21 1115982052 JQEBSONNFMCTPI-UHFFFAOYSA-N 434.584 4.217 10 20 IICD Cc1sc2nc(CS[C@@H](C)C(=O)Nc3c(Cl)ccc4nonc34)nc(O)c2c1C 1342951393 LXKYEASCORWNFH-VIFPVBQESA-N 449.945 4.464 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)CN(C)C)CCC3)cc2)cc1 1790691762 FZRRLDFUEZEJDQ-UHFFFAOYSA-N 444.579 4.403 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 303385197 NNZAYMUPPCPPDB-LJQANCHMSA-N 443.613 4.229 10 20 IICD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n(-c2ccccc2F)n1 534006336 NYDSUVUNZQKDAH-UHFFFAOYSA-N 434.496 4.097 10 20 IICD CC(=O)Nc1cccc([C@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726613364 KYPUSGOIZMKWKF-HNNXBMFYSA-N 446.498 4.276 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 726950717 LQTLHXMFDXQOLV-UHFFFAOYSA-N 429.492 4.032 10 20 IICD O=C(c1ccccc1)c1sc(NS(=O)(=O)c2cncc(F)c2)nc1-c1ccccc1 727245686 FMNGXFZQOWHWRW-UHFFFAOYSA-N 439.493 4.376 10 20 IICD CCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1 727249664 FPFHQUZTDLMQLK-UHFFFAOYSA-N 430.551 4.279 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C\C3=S=C(c4ccccc4)N=C3)nc(O)c2c1C 727264643 UORTTZBFQMEKLB-MDWZMJQESA-N 443.937 4.240 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2ccccc2s1 730675724 XSVDZNDQDSJCFA-APWZRJJASA-N 436.581 4.163 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)cc1 731114012 BWYHKBGHFNTPFY-UHFFFAOYSA-N 437.569 4.236 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CN(Cc3ccccc3O)C3CCCC3)cc2)C[C@@H](C)O1 731845705 IDOHGDXFGJYMNO-BGYRXZFFSA-N 437.584 4.389 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4C)cs3)cc21 734739458 CZCCQGPYAYDAMC-UHFFFAOYSA-N 427.551 4.137 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 735393101 LLMPJODIINRLGJ-UHFFFAOYSA-N 435.499 4.034 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1)C1CCCCC1 742416119 MKOOCJRXBDBMLY-UHFFFAOYSA-N 434.515 4.071 10 20 IICD Cc1noc(-c2ccccc2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 742798114 JXIVYFWENFNSMP-HNNXBMFYSA-N 428.439 4.045 10 20 IICD COc1ccc(C(=O)CCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742801816 SQQGBSKOXKTROY-SFHVURJKSA-N 446.494 4.435 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 743045939 GUJFKDSWBZYPOJ-UHFFFAOYSA-N 428.944 4.421 10 20 IICD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 743413536 GNYRCHICQJJOLR-UHFFFAOYSA-N 442.991 4.430 10 20 IICD O=C(NCc1ccccc1N1CCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745767066 KDIUQRWVMLHERW-LJQANCHMSA-N 444.526 4.356 10 20 IICD C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)cc1 746169300 YLOGUIPHWHGBIA-INIZCTEOSA-N 440.931 4.037 10 20 IICD COC(=O)c1ccc(OC(C)C)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 746670512 ASMPJNWMAQYBIP-LJQANCHMSA-N 442.512 4.179 10 20 IICD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 747299042 VUFXRPLWZDZCPO-LJQANCHMSA-N 435.524 4.189 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3C=Nc4ccccc4S3(=O)=O)c2C)c1 750950542 BTUZWKJCUHPJBP-UHFFFAOYSA-N 439.562 4.363 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1ccccc1Cl 751302795 QODNKPFSPAFRCW-UHFFFAOYSA-N 429.871 4.191 10 20 IICD Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccccc1Br 754766380 XEDXLGVBXPZMMP-OAHLLOKOSA-N 431.330 4.024 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 756455622 UHDRNGYEMAPDST-GJZGRUSLSA-N 433.346 4.118 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1COc2c(Cl)cccc21 757670013 ZAFGJHQGSYKUTM-GOSISDBHSA-N 437.874 4.343 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cc1 757898249 NVATWVBOPNFRMN-UHFFFAOYSA-N 437.544 4.175 10 20 IICD COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 759368773 DQYJOMSSVPMCEZ-UHFFFAOYSA-N 438.568 4.432 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 759519204 UQAOWWZTASIQNO-UHFFFAOYSA-N 433.549 4.025 10 20 IICD Cc1c(NC(=O)[C@H](C)Sc2ncc(C(C)(C)C)s2)c(=O)n(-c2ccccc2)n1C 759719958 QXJOKPVFPUCTRG-AWEZNQCLSA-N 430.599 4.358 10 20 IICD C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O 761162762 WQHZLTBCZRUUNE-VLIAUNLRSA-N 448.350 4.054 10 20 IICD Cc1nnc(-c2ccccc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 765386633 UFVFGYUGNMMLIA-UHFFFAOYSA-N 428.439 4.045 10 20 IICD CC(=O)c1cccc(OCCCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 768915817 NILOHDBUOOBNTD-NRFANRHFSA-N 444.959 4.188 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2F)C[C@@H](C)O1 769032381 GQAGFQWIZREEBX-QWFCFKBJSA-N 433.568 4.120 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 773760627 JGFIUAOAQHDEET-LPHOPBHVSA-N 428.529 4.191 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(F)cc1F 774918641 KPHZJMKZDFVUAZ-INIZCTEOSA-N 441.478 4.030 10 20 IICD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 777947824 XRFBBRKFNPMKTI-UHFFFAOYSA-N 447.482 4.302 10 20 IICD O=C(COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(O)c(O)c1 782199746 AHXWKHHUYNTBPB-UHFFFAOYSA-N 433.338 4.344 10 20 IICD O=C(Nc1cccnc1N1CCCCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895412 AJCMSVXDNYZUOE-UHFFFAOYSA-N 436.556 4.078 10 20 IICD Oc1c(Br)cccc1CNc1ncc(Cn2cc(Br)cn2)s1 784494031 LMRUOSRKTGHUNY-UHFFFAOYSA-N 444.152 4.231 10 20 IICD O=C(NCc1ccccn1)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl 789890724 VDOCZHMCQSXMPZ-UHFFFAOYSA-N 436.943 4.114 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 799238904 OJZSQACPIZKTOT-HSZRJFAPSA-N 449.507 4.137 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(Br)nn3C)cc2Cl)C1 800048825 IQXIAMMWVWWOSQ-LBPRGKRZSA-N 425.758 4.002 10 20 IICD CNC(=O)c1ccc(OC)c(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800523893 XZZUXWFZJAHJOK-OAHLLOKOSA-N 444.963 4.266 10 20 IICD CC(C)c1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 800635925 BKIDPRJMTXALLA-CQSZACIVSA-N 434.993 4.411 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 802610457 ALXZAKYVSUHABA-HXUWFJFHSA-N 437.584 4.392 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C2CC2)cc1 806856870 NYAOSJCQBLZPCB-UHFFFAOYSA-N 438.528 4.145 10 20 IICD CCN(C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[C@@H](C)c1cccnc1 807956381 MVIRLCSQJZMRMQ-ROUUACIJSA-N 442.991 4.197 10 20 IICD CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)s1 808556870 SDMHJUCCPIYRNY-UHFFFAOYSA-N 444.563 4.487 10 20 IICD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3O)c2)c1 810326923 YZMKCQMDRUPXKQ-UHFFFAOYSA-N 433.464 4.143 10 20 IICD Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc(Br)cc1 849481338 KIZRCMVYDSNRDH-UHFFFAOYSA-N 440.341 4.175 10 20 IICD CC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1 915563045 STNYLJIAPZYLCG-UHFFFAOYSA-N 433.460 4.108 10 20 IICD CN(C)c1c(Cl)cccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 915868481 ZFULOXZHFIZMKY-UHFFFAOYSA-N 449.850 4.342 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1C 917758239 MPXPNMFNCOEFDR-UHFFFAOYSA-N 438.615 4.472 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCSc2ccc(Cl)cc21 918203005 RHKWYIBVQDTNQV-SFHVURJKSA-N 435.952 4.352 10 20 IICD O=C(Nc1ccc2c3c(cccc13)CC2)C(=O)N(Cc1ccco1)Cc1ccccc1O 918296645 WWHRAEQPPYAUCF-UHFFFAOYSA-N 426.472 4.405 10 20 IICD CN(CC(=O)N(C)C1CCCCC1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918423719 PWSSCGZQKXPVLC-UHFFFAOYSA-N 435.528 4.290 10 20 IICD Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)cn2)c1 919790529 KRYZUZQJHBATDH-UHFFFAOYSA-N 446.551 4.327 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1)c1ccc(N2CCOCC2)cc1 920923186 OHCIKJKHPVAWHL-KRWDZBQOSA-N 443.503 4.239 10 20 IICD O=C(NCCOc1ccccc1-c1ccccc1)NCc1ccc(N2CCOCC2)cc1 921074814 OHKLYNQAEBEGAD-UHFFFAOYSA-N 431.536 4.068 10 20 IICD Cc1nnc(SCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1Cc1ccccc1 45605749 KVQOPYWLBFPZJT-UHFFFAOYSA-N 449.624 4.376 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3ccc(F)cc3)c3cnn(C)c3)ccc21 479634979 QTYASMZIAHUSEU-DEOSSOPVSA-N 434.515 4.297 10 20 IICD COc1ccc(N2CCC(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 726562808 WLJBHUZDPPSJLA-UHFFFAOYSA-N 444.531 4.090 10 20 IICD Cc1ccccc1C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 726612267 XGHWCCKYVAUVCS-UHFFFAOYSA-N 447.501 4.381 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(SC(C)(C)C)cc3)CC2)cc1 726855399 XSDPICQFHBLSGZ-UHFFFAOYSA-N 441.597 4.263 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H](NC(=O)NCc3ccccc3)C(C)C)cc2)CC1 731016711 VMXCCCVOUPKYPJ-DEOSSOPVSA-N 436.600 4.063 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(CN3CCOCC3)c2)cc1 732058074 WJLRZXJEECOCSF-UHFFFAOYSA-N 433.552 4.020 10 20 IICD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCSc1nccs1 733880732 NDOWDUVMYOHIMQ-DQYWGJDHSA-N 435.659 4.099 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(OC(F)F)c1 734179435 WPOYXOVDKHSIAE-NVNXTCNLSA-N 430.542 4.086 10 20 IICD Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3C)c2)c1 734467736 ADHVHFGRABNWHF-UHFFFAOYSA-N 437.565 4.100 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 740919442 UEMRROGWKOLXLY-UHFFFAOYSA-N 444.501 4.109 10 20 IICD C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754277 OKTRKOWHYIFMCX-HTAPYJJXSA-N 443.563 4.453 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)c2c(c1)OCCO2 742799139 HEEFGLIAKVISTI-CQSZACIVSA-N 438.858 4.111 10 20 IICD CC(C)n1cc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)cn1 743045473 LSQWAAKUFMBILL-UHFFFAOYSA-N 427.349 4.151 10 20 IICD CNC(=O)Cn1ccc2ccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21 743203924 BTMXNXGFTAUXEV-UHFFFAOYSA-N 433.556 4.042 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(CC(F)(F)F)c3)cc2)CC1 743906765 VQWSBWNMQDSHRX-UHFFFAOYSA-N 433.474 4.283 10 20 IICD CC(C)(C)c1cnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 744373318 VPHGWBDKFKYZON-UHFFFAOYSA-N 435.461 4.377 10 20 IICD O=C(NCCc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCC(CO)CC2)cc1 745291667 POJYXUBAPFKTKA-UHFFFAOYSA-N 440.975 4.072 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc(Br)c3)cc2F)C[C@H](C)O1 750726667 WLUOVDYWOKKUGF-GJZGRUSLSA-N 435.337 4.061 10 20 IICD C[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc2c(c1)CCCC2 751930252 HBJSTSXCWSLKJB-MRXNPFEDSA-N 449.576 4.229 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3cc(-c4ccccc4)oc3C2)c1 751945257 ZBEBTKOXFRWBOY-UHFFFAOYSA-N 446.547 4.245 10 20 IICD Cc1cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c(C)n1-c1ccc(Cl)cc1 752331747 ABPZYTJVIUJDGV-QGZVFWFLSA-N 439.907 4.043 10 20 IICD C[C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc(N2CCOCC2)cc1 754825292 ZIHMUVAGAGOHOM-OAHLLOKOSA-N 432.355 4.262 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 756429212 FQSSNURPPDFTET-CYBMUJFWSA-N 425.407 4.007 10 20 IICD CC1(OC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCC1 757918509 GRRDOSPFVVUMCY-LCYFTJDESA-N 426.357 4.136 10 20 IICD COc1ccc(N2CCC(N3C(=O)N[C@@H](Cc4cc(Cl)cc(Cl)c4)C3=O)CC2)cc1 761222367 MMJNTMYCAFGJNJ-FQEVSTJZSA-N 448.350 4.134 10 20 IICD Brc1cccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 761225023 FXZMHGRAGGXWFZ-UHFFFAOYSA-N 431.374 4.329 10 20 IICD O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 768449101 DRTYCLNBSSFEGJ-QHCPKHFHSA-N 449.482 4.159 10 20 IICD CCN(Cc1cc(Br)ccc1O)Cc1ccccc1OCC(=O)NCC1CC1 769541365 VFGSNHIHANFNNT-UHFFFAOYSA-N 447.373 4.082 10 20 IICD Cn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(-c2ccccc2)n1 772258585 WZQRHPDXBXCJID-UHFFFAOYSA-N 426.467 4.087 10 20 IICD C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(N(C)C)cc1 773995416 UZMRFNGEHFPEAR-GOSISDBHSA-N 426.520 4.002 10 20 IICD O=S1(=O)CCN(Cc2c(O)ccc3cc(Br)ccc23)Cc2ccccc21 774696054 SXQJAAXKRUEMJZ-UHFFFAOYSA-N 432.339 4.097 10 20 IICD CC[C@@H](NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1)c1ccccc1O 775507237 JFDJSSZXHWQMLM-JOCHJYFZSA-N 426.538 4.443 10 20 IICD C[C@@H](c1ccccc1)N(CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O 776007003 DYIFIKADONKWOG-IBGZPJMESA-N 425.550 4.438 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3cccc4cccnc34)cc2F)C[C@H](C)O1 776283754 VMVFFZHXLJPMRV-IRXDYDNUSA-N 439.556 4.396 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)c1ccc([N+](=O)[O-])cc1 776581400 DQUUCEWGFQAHIK-NRFANRHFSA-N 427.501 4.106 10 20 IICD CC(C)C[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 776937883 CVWQCEFWWGBPRA-YLJYHZDGSA-N 425.520 4.150 10 20 IICD Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 781370283 DQVMINVUPYSWGX-HTAPYJJXSA-N 425.577 4.251 10 20 IICD COCCNc1ccccc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 784964672 VOGSHIHXGHAQHU-UHFFFAOYSA-N 431.496 4.415 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 785198551 YEHKPCBNPSZMRK-UHFFFAOYSA-N 441.272 4.254 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Oc2ccccc2)c(F)c1 785424095 DULRBXBSXNWDRV-QGZVFWFLSA-N 435.499 4.178 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)CC2)cc1 788712083 CZOCAMQTMJWMTN-UHFFFAOYSA-N 441.482 4.164 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)NC(C)(C)C4=O)c3)c2C)c1 790435416 ASDPIYODXUEYOD-UHFFFAOYSA-N 430.508 4.490 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1-c1ccc(Br)cn1 790579762 QEHKKCNUBOPCEL-UHFFFAOYSA-N 430.306 4.180 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)c1 794859023 FLRFYSMRGDCTOV-ODLFYWEKSA-N 441.509 4.434 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CCn3cnc4sccc4c3=O)cc2Cl)C1 800049196 MOGXQXHOPHCRRB-OAHLLOKOSA-N 444.988 4.054 10 20 IICD C[C@H](NC[C@H](O)c1cccc(Br)c1)c1cc(Br)cc(F)c1O 800496094 JFRBMKIALIDIRV-VFZGTOFNSA-N 433.115 4.441 10 20 IICD C[C@@H](NCc1ccc(I)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 800500867 ZQYBYSPUAGALJY-SECBINFHSA-N 432.645 4.409 10 20 IICD C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(N2CCOCC2)cc1 800569307 MGRZDVPMYFJQSX-AWEZNQCLSA-N 441.425 4.486 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(O[C@@H]2CCOC2)CC1 801918166 GQYQKIOESJATCR-JOCHJYFZSA-N 435.572 4.147 10 20 IICD COc1ccc([C@H](C)CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 807413080 BEQYIXGUKFQQSR-LJQANCHMSA-N 438.568 4.372 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3cccs3)cc2Cl)C1 807951706 FIYKPGBKDPXLIS-HOTGVXAUSA-N 434.005 4.474 10 20 IICD CC[C@H](c1ccccc1)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCOC 812128629 CGRBDQKUWQYBIB-XMMPIXPASA-N 449.599 4.192 10 20 IICD CN(C)S(=O)(=O)c1ccc(NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 812260677 DPTWCHBRXROQKK-UHFFFAOYSA-N 442.566 4.043 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2Br)s1 912859443 TZPXWWXODXMHGH-WJDWOHSUSA-N 435.368 4.480 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCc1ccccc1 914084101 QZYRDKAYZAPUID-OBGWFSINSA-N 430.620 4.479 10 20 IICD CC(=O)NCCCNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916519388 FEJPUXKTWZYTAO-LJQANCHMSA-N 436.478 4.007 10 20 IICD Cc1cccc([C@@H]2CCCN2CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 917833731 NIWFPMASJKBMHU-ROKPMTFOSA-N 439.575 4.201 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2c(C(C)C)noc2n1 920843663 CRZHZJVAFMQVRY-IYBDPMFKSA-N 440.519 4.337 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 1254438522 KCQPJDSTFFOHJV-QFIPXVFZSA-N 437.971 4.244 10 20 IICD Cc1cc(CN2CCCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)no1 1318090144 ASBJDPQRFMTLFH-UHFFFAOYSA-N 439.604 4.169 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)ccc21 439756480 CTAIEYQXRRLGTB-HXUWFJFHSA-N 434.584 4.255 10 20 IICD O=C(NCCc1c[nH]c2ccccc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726700478 BKDRFTZSBFFGQI-UHFFFAOYSA-N 428.483 4.280 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(C(F)(F)F)ccc1F 728121472 HEYGDRVNXBMORO-UHFFFAOYSA-N 425.426 4.375 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3cc(C)ccc3OC)ccc21 728637287 IOAONEVGHXEAAD-GOSISDBHSA-N 438.524 4.406 10 20 IICD COc1ccc(COc2cccc(F)c2)cc1NC(=O)NCc1cccc(OC)c1O 729567085 GQYWXOOLNHTLRO-UHFFFAOYSA-N 426.444 4.449 10 20 IICD CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1F 730481462 JXLATJMUTAVYIA-UHFFFAOYSA-N 447.482 4.078 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1F 731364178 HLNFRRPJSKXLKH-GOSISDBHSA-N 444.580 4.008 10 20 IICD O=C1CC[C@@]2(C(=O)NCCCSc3nccs3)Sc3ccc(Cl)cc3N12 733973251 XARVJPWNYXMFHX-KRWDZBQOSA-N 425.988 4.024 10 20 IICD CC1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C(C)(C)CO1 734343308 UQZWKCLNVOXJSR-PTNGSMBKSA-N 438.640 4.146 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 734557320 DKYCDKQEXMERNG-RUZDIDTESA-N 445.563 4.215 10 20 IICD Cc1nc(-c2cnn(C)c2)sc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 734607609 NTJIPNCUVRBFRF-UHFFFAOYSA-N 434.521 4.299 10 20 IICD CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735517675 MTOTWDVXWSYZAV-JOCHJYFZSA-N 449.551 4.434 10 20 IICD C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 741082084 WYVFWFPSQJDRPI-YKSBVNFPSA-N 448.611 4.461 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N([C@H]2CCOc3ccccc32)C1=O 743284097 JIMZKAXGAJVPJW-BBJIBYMTSA-N 443.546 4.437 10 20 IICD O=C(CCCN1CCN(c2ccccc2)CC1)N(Cc1ccco1)Cc1ccccc1O 743430193 FRVLPHWCNGXYKM-UHFFFAOYSA-N 433.552 4.116 10 20 IICD CCN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 743624012 NMGSVTNJXIZKGJ-UHFFFAOYSA-N 444.373 4.436 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccc(C)cc3)CC2)cc1 743707708 KRROWDGFKUBDQE-WIOPSUGQSA-N 437.584 4.393 10 20 IICD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 743958132 MHROFYNUADLRQU-UHFFFAOYSA-N 443.547 4.162 10 20 IICD COc1ccc(C[C@@H]2CCCN(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)C2)cc1 745796071 NKVSPNFZUCEKAF-NRFANRHFSA-N 437.584 4.337 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)cc(F)c3)cc2)cc1 747594367 PUYXUQYZTSYWFQ-UHFFFAOYSA-N 434.514 4.044 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(COC(C)(C)C)cc3)cc2)CC1 752723177 ALPNAMWPIDJVRM-UHFFFAOYSA-N 437.584 4.493 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3cncc(SCc4ccccc4)n3)cc2)C1 754051654 GGHLOKIVRVMJOJ-HXUWFJFHSA-N 433.581 4.083 10 20 IICD C[C@H]1CN(C(=O)c2ccc(CN[C@H](C)c3cc(Br)ccc3O)cc2)C[C@@H](C)O1 756480285 URRCEXGVLKIDGS-OWCLPIDISA-N 447.373 4.255 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(Br)cc(F)c1O 756770796 XEZZJYVKPGZSIY-TZMCWYRMSA-N 430.339 4.197 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1NS(C)(=O)=O 756869353 UBATZBOKNBPCMV-SECBINFHSA-N 449.754 4.361 10 20 IICD CCCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(C)cc1 760085785 PAHZMZOFCHEMHY-UHFFFAOYSA-N 432.568 4.242 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 764535545 RVIRRXGXPUHDNN-IEBWSBKVSA-N 447.938 4.154 10 20 IICD Cc1ccccc1C1(CNC(=O)NCc2cccc(Br)c2O)CCOCC1 764769139 USDIVQNKECQOKK-UHFFFAOYSA-N 433.346 4.011 10 20 IICD CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 767109836 XJKINAGXBSJILT-GIGQVBGESA-N 434.370 4.077 10 20 IICD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 772346198 URBDZCTUKHLQNY-FQEVSTJZSA-N 429.568 4.255 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 772630867 NZWBZVNBNLSMAW-UHFFFAOYSA-N 434.544 4.142 10 20 IICD CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1 773103792 LBQFZUVYGJSXAJ-QXWFJRNPSA-N 437.563 4.281 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1 773232341 DODUHYFSKHRUEF-UHFFFAOYSA-N 427.854 4.460 10 20 IICD O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H](NCc2cccc(Br)c2O)C1 775148107 XXTLLWHCCAWBKG-HOTGVXAUSA-N 443.341 4.242 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)N4CCc5ccccc54)cc3)cc2)CC1 775191693 JBFVGODCEQIBLN-UHFFFAOYSA-N 426.564 4.253 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(-c2nnc(COC)o2)c1 776710955 NGXMRZWZLBWQPX-UHFFFAOYSA-N 446.301 4.013 10 20 IICD C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 777622588 TXVHCTNIWNOWTG-LJQANCHMSA-N 440.563 4.260 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)c2C)c1 777836868 LWFUPYGTLCTFJH-NRFANRHFSA-N 445.563 4.499 10 20 IICD COCCn1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)n1 784040083 SWLDJCODOYEHPE-UHFFFAOYSA-N 427.526 4.384 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)sc2C1 789369748 KNZMUVXBURYFRR-QGZVFWFLSA-N 440.613 4.245 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 790640130 XKTUOFKUKZCQKQ-UHFFFAOYSA-N 433.511 4.453 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](c1cncc(Br)c1)C1CC1 790731327 JWUKOQTXWHFUKW-HXUWFJFHSA-N 427.346 4.171 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nnc(-c4cc(F)ccc4C)s3)CC2)cc1 791901920 OODOGGOLKYNWQO-UHFFFAOYSA-N 427.505 4.015 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(O)c1 797617949 XVMRACOHSZWPPL-UHFFFAOYSA-N 431.920 4.438 10 20 IICD COC(=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1OC(C)C 799247313 PXKUUUNGOPZIQD-UHFFFAOYSA-N 441.528 4.060 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc4cc(Br)cnc34)CC2)cc1 806562873 NSKKDFFAKDAYJN-UHFFFAOYSA-N 441.329 4.360 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 807675073 UJMOUEMRQUMYRG-QRWLVFNGSA-N 435.490 4.462 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)c2C)c1 808463736 UOQZCCHHCRHADE-UHFFFAOYSA-N 447.535 4.035 10 20 IICD CC[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1O 810218195 PPAUFYORKUJDCO-CQSZACIVSA-N 448.429 4.013 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C[C@H]1CCOC1)C1CC1 812078334 WAYFLXRZZYWHQH-HXUWFJFHSA-N 435.572 4.004 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1 813050416 DCETWVZKLTXHFQ-RUZDIDTESA-N 437.584 4.123 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cc1 814283182 BXDPTISXIVWPRA-UDWIEESQSA-N 445.562 4.165 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(Cn3cncn3)cc2)cc1 832856907 UCDXAAWOGLDJSQ-UHFFFAOYSA-N 441.535 4.248 10 20 IICD COC(=O)c1sc2cccc(F)c2c1CN(C)Cc1ccc(N2CCOCC2)cc1 864027586 CPBOACKCZDLIMR-UHFFFAOYSA-N 428.529 4.296 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(Nc4ccccc4)CC3)cc2F)C[C@H](C)O1 1115947356 BUWUSTQVNZXLHF-OALUTQOASA-N 440.563 4.225 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1)c1cc(O)nc(O)c1 1790877504 WUGYFLTUPXYXFU-UHFFFAOYSA-N 448.504 4.097 10 20 IICD Cc1cccc(NC2=NC(=O)/C(=C/c3cc4ccccc4nc3N3CCOCC3)S2)c1 21190020 QIXQPGSGUJXWLU-QNGOZBTKSA-N 430.533 4.462 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc3ccccc3c(=O)[nH]2)cc1 98074241 NCFJHXLTFCCFPC-UHFFFAOYSA-N 427.504 4.450 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)ccc21 502026428 JVJSBYJBXKDAET-DEOSSOPVSA-N 443.547 4.238 10 20 IICD CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 545053952 QMZXLXXPSZTAOF-LJQANCHMSA-N 446.532 4.224 10 20 IICD Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c12 728838968 CMIJTUHCKVKPBI-UHFFFAOYSA-N 445.489 4.425 10 20 IICD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 730899341 CPGTUIUABLHGLS-PMACEKPBSA-N 444.503 4.302 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 731281025 NIDLQKFVBXPFBZ-ROUUACIJSA-N 429.536 4.267 10 20 IICD Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2)c1 741097711 WLZXWERIRPMNNO-UHFFFAOYSA-N 427.504 4.418 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 741665558 OPADCRFTHNUURL-UHFFFAOYSA-N 448.567 4.434 10 20 IICD CCN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)CC1CCN(c2ccccn2)CC1 743403325 YMSGIDVOVRGSSB-UHFFFAOYSA-N 445.563 4.462 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 745776560 SFAHZSZSQXSODQ-OAQYLSRUSA-N 438.616 4.094 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nnc3ccccn23)c(C)n1-c1ccc(OC(F)F)cc1 750820578 DTEJLJXCDMABQM-UHFFFAOYSA-N 439.466 4.053 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](c3nccn3C)C2)c(C)n1-c1ccc(Br)cc1 756137116 MYYDDGRNEXKLAD-MRXNPFEDSA-N 427.346 4.220 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccccc3OC(F)(F)F)CC2)cc1 756964141 QQJSTKBXEUNYMN-UHFFFAOYSA-N 437.462 4.105 10 20 IICD C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 760036960 GLRWFRAGESUZIS-RIEVBORMSA-N 430.539 4.226 10 20 IICD C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O 761160627 PYWGGTKNKATDLJ-FPTDNZKUSA-N 448.350 4.358 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 763046384 AEHYSZUQYMDNAH-UHFFFAOYSA-N 427.907 4.433 10 20 IICD C[C@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1ccc(N2CCOCC2)cc1 764357082 SQCWUFMBAZAJNS-AWEZNQCLSA-N 448.336 4.258 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772588068 AEPLUBDHRLFKOP-ILWGZMRPSA-N 445.485 4.070 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@H](N2CCCC2)CC1 775712554 QCEDSQJPAQCKGL-HNNXBMFYSA-N 432.200 4.368 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1csc(N2CCCC2=O)n1 777827234 YDEKFIFZDZYMJK-KRWDZBQOSA-N 435.549 4.308 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@@H](F)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 778287882 FUUKNINBUMORRV-LEWJYISDSA-N 429.536 4.015 10 20 IICD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 779475437 NAONSBLFWKOXPS-OXXZUKKGSA-N 431.488 4.303 10 20 IICD COc1ccccc1N1C(=O)/C(=C/c2cnn(Cc3ccc(F)cc3)c2)SC1=S 780142675 HTXOGWZQMCACNH-GRSHGNNSSA-N 425.510 4.485 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)c2)CC1 781046057 YZINCVFRVDBVKC-UHFFFAOYSA-N 425.838 4.280 10 20 IICD CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1C 783484625 FTCDCMSUFJKKGW-KRWDZBQOSA-N 430.508 4.269 10 20 IICD CCOc1cc2c(cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1)O[C@H](C)C2 784060230 ARPMCWFXEDFANQ-MRXNPFEDSA-N 437.540 4.295 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(CCCCC4)CC3)cc2)C1 786713194 XJRHOQADMJRJGY-OAQYLSRUSA-N 426.605 4.034 10 20 IICD CCNC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C 789759242 ZOQZYUWDYZQLAK-UHFFFAOYSA-N 437.544 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)n1ccc2ccccc2c1=O 791384165 GEBUYNDDLYNKNC-AWEZNQCLSA-N 429.314 4.079 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](O)c1ccccc1 792037828 DSKOUDKWZFPUQK-LOUMEOBWSA-N 443.563 4.141 10 20 IICD COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(O)c1 793388084 LFRLTPBIZIQDOC-UHFFFAOYSA-N 430.464 4.452 10 20 IICD C[C@H](NCCCCn1cc(Br)cn1)c1cc(Br)cc(F)c1O 794826393 CGVGXJKTZQVZFK-JTQLQIEISA-N 435.135 4.384 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nn1-c1cccc(Cl)c1 804251168 FVVMAVVVJGHREY-UHFFFAOYSA-N 431.279 4.162 10 20 IICD COCCOCc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 812885215 NJUOYKZGPVSNLN-UHFFFAOYSA-N 425.573 4.085 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c(C)c1 914845866 VYQWKIVPQYMYBA-UHFFFAOYSA-N 434.539 4.254 10 20 IICD Cc1ccc([C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 916838047 CNCSSNGEOJQEPB-RUZDIDTESA-N 438.572 4.057 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)C1 917834608 LCOKNIPNWKBGAY-IBGZPJMESA-N 439.987 4.170 10 20 IICD CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918048329 SFVZJRAALAPENY-KBPBESRZSA-N 448.926 4.373 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 919811044 AKMFTEZERWRNOY-UHFFFAOYSA-N 432.885 4.462 10 20 IICD COc1ccc2cc([C@H](C)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2c1 919968315 CGFUKQYFMIPKJY-IBGZPJMESA-N 432.564 4.477 10 20 IICD Cc1cc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 919983149 OEADDQPWQHLQHZ-UHFFFAOYSA-N 431.945 4.049 10 20 IICD Cc1ccc(OCc2nc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)cs2)cc1 920471852 GBVMVUMRSXJPLR-WOJGMQOQSA-N 445.635 4.326 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1 920879113 GOUYXOSWLNASBM-UHFFFAOYSA-N 439.556 4.163 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(O)(Cc4ccccc4F)CC3)ccc21 1116848414 BRRCEVRLWMXQBC-UHFFFAOYSA-N 438.543 4.253 10 20 IICD CN(C)c1ccc([C@H](CNCc2ncc(-c3ccccc3)[nH]2)NC(=O)OC(C)(C)C)cc1 1329947890 PXNDXMAADKUGOZ-NRFANRHFSA-N 435.572 4.498 10 20 IICD CNC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 32783896 QJFXGYMAHDRQNS-UHFFFAOYSA-N 428.435 4.317 10 20 IICD COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1OC 109101460 XDSYQYMDISRNRO-QGZVFWFLSA-N 425.510 4.172 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F 726709767 RWCAKVBFLLGFIL-QGZVFWFLSA-N 441.482 4.170 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc(-c2ccccn2)s1 727674621 DMMFSKSTYJWFMW-UHFFFAOYSA-N 430.480 4.205 10 20 IICD C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)Nc1sccc1C(N)=O 729587271 OKZROLUNCQSZQE-LBPRGKRZSA-N 438.465 4.152 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)c1 732704286 NMVKAFVEDFDRKV-KRWDZBQOSA-N 434.492 4.104 10 20 IICD Cc1ccc(OCc2cccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)cn1 733925531 NBKHEMYCQNKOPO-FQEVSTJZSA-N 431.536 4.297 10 20 IICD Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 734235332 GNTTVDWRYUOGNW-UHFFFAOYSA-N 437.931 4.282 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1C(F)(F)F 741545076 YQGKVDVAUJPACR-FUHWJXTLSA-N 447.501 4.217 10 20 IICD COc1ccc(-n2ccnc2SCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 742475472 BSOSYTIHSYNPBC-UHFFFAOYSA-N 436.581 4.280 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)/C=C\c2ccccc2)CC1 742476063 UTBUXCAXXLLPMY-KAMYIIQDSA-N 431.580 4.245 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 742553802 JQWBEJLMIUZJCS-UHFFFAOYSA-N 426.973 4.317 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 742802946 GZZKMIQIOYXQIE-CQSZACIVSA-N 425.819 4.248 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 743717760 GJPJIXRNZOMAJI-FQEVSTJZSA-N 447.362 4.499 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCCC1 743955961 OEVKHGNQKHBDSJ-UHFFFAOYSA-N 449.595 4.290 10 20 IICD Cc1cc(C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)c(C)n1-c1ccc(F)cc1 744075759 IFUHYTMLXQDCBF-UHFFFAOYSA-N 442.494 4.232 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)C[C@@H](C)O1 747544384 NKYYHTRTHNZZIB-YYDVJCTNSA-N 439.556 4.219 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1 753831645 WNOIWJGLSYQWPG-UHFFFAOYSA-N 437.565 4.097 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)s1 755427158 KMKTUAHJZDKWPJ-UHFFFAOYSA-N 445.950 4.101 10 20 IICD CCSCc1cccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 759986437 QHNJEHFFEVRUDI-UHFFFAOYSA-N 445.585 4.320 10 20 IICD Cc1ccc([C@@H]2OCCC[C@@H]2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761360368 KJCFHBSPJGOYIZ-VGSWGCGISA-N 428.916 4.286 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CC(=O)N(C)Cc3cccc(Cl)c3)CC2)cc1 765637220 AGDFTESPJYBDKM-SFHVURJKSA-N 429.992 4.344 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 766062979 ZSZKWJXOAUHVDW-FUHWJXTLSA-N 435.490 4.193 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cnc(Cl)c(Br)c3)CC2)cc1 767910286 BLCXNIKWWJHQAL-UHFFFAOYSA-N 439.741 4.297 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)c2)CC1 770146306 GXVPEWXCGRDCDX-UHFFFAOYSA-N 428.536 4.333 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)Nc4cccc(OC)c4)no3)ccc21 770959298 SYAFMVTXLYMGCR-UHFFFAOYSA-N 434.496 4.144 10 20 IICD COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)cc1 773025581 QNGZMYITXPQYSD-IBGZPJMESA-N 445.563 4.111 10 20 IICD O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1F 776743148 CGRLDWRSCAUJDU-UHFFFAOYSA-N 444.465 4.307 10 20 IICD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 785293185 CXVMJNYVJMCMHQ-QZTJIDSGSA-N 448.519 4.232 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccc(Cl)s4)nn3C)CC2)cc1F 786544049 KTAMIXDWRRSJMQ-UHFFFAOYSA-N 449.939 4.304 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccccc2OC(C)C)cc1 787878071 KDGLUDUJXASKJL-LJQANCHMSA-N 425.573 4.156 10 20 IICD Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 792049767 FNKIUFNYNHPBOW-CPJSRVTESA-N 430.552 4.376 10 20 IICD C[C@@H](NCCc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 794841113 LSMNIIWIYQCMLQ-MRXNPFEDSA-N 426.454 4.497 10 20 IICD CCO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 799993095 CCQIWYAYPIJKII-HOTGVXAUSA-N 449.983 4.398 10 20 IICD CC(=O)NCCN(Cc1ccc(C)s1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 801015068 LZLYEDUEFHYHHZ-UHFFFAOYSA-N 442.629 4.141 10 20 IICD CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 805145915 UQOOCBAZIHURNK-UHFFFAOYSA-N 432.348 4.334 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@H](C)Cc3cncc4ccccc34)cc2F)CC1 805179447 DHBILMDYAONHEI-LJQANCHMSA-N 434.559 4.011 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O 805398276 ZXMZFDYPTFEGJV-VQIMIIECSA-N 428.558 4.206 10 20 IICD COc1cccc(C(C)(C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 807339685 UABOXBUXHSIYEO-UHFFFAOYSA-N 438.568 4.156 10 20 IICD C[C@H](NC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 807678766 JOXUYINKIVKRSR-CVEARBPZSA-N 435.490 4.259 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 809147769 VDLPOOHGHCAMKC-XSFVSMFZSA-N 428.579 4.321 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1O 810210821 FNZMMVPYJNMJCJ-UZLBHIALSA-N 435.490 4.354 10 20 IICD Cc1ccc2nc(CNCc3cc(Br)cc(Br)c3O)cn2c1 811634451 OYLQOAIVJVKAIJ-UHFFFAOYSA-N 425.124 4.163 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1O 814171747 RIYNOLMONRSSIU-PXAZEXFGSA-N 426.391 4.290 10 20 IICD Cc1cc(C(=O)COc2nnc(-c3ccccc3)o2)c(C)n1-c1ccc2c(c1)OCCO2 914684901 PFSLRFGSUQKILV-UHFFFAOYSA-N 431.448 4.177 10 20 IICD C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456275 BNGRSQZVMKVWNH-AWEZNQCLSA-N 442.865 4.279 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(OC2CCCC2)c1 916677839 OZQWUYDCGWJTNA-UHFFFAOYSA-N 427.520 4.430 10 20 IICD CC(C)Oc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c2ccccc12 917762121 PQCSWBOKYKXDPK-UHFFFAOYSA-N 426.538 4.264 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3csc4nc(-c5ccccc5)cn34)CC2)cc1 917822388 YKWHIOOKQMBYRI-UHFFFAOYSA-N 446.576 4.353 10 20 IICD CC(C)[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccc2c(c1)OCCO2 10196972 DSLWCPBPRNNJDC-QHCPKHFHSA-N 437.565 4.464 10 20 IICD COCCNC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1Cl 108288637 FLHTWDZLRCOHEM-UHFFFAOYSA-N 425.916 4.376 10 20 IICD O=C(NCc1nccn1CC(F)(F)F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 727950747 UVGYSYWOMLYHIC-UHFFFAOYSA-N 430.390 4.116 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 729061970 MSSFFIOGPYPCED-CYBMUJFWSA-N 441.871 4.057 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(OCc2cscn2)c1 730667607 WCZCHPHGMYSWNZ-UHFFFAOYSA-N 442.516 4.020 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2)cc1 730899386 DHFAMNAOMIHNON-OAQYLSRUSA-N 443.519 4.136 10 20 IICD C[C@H](NC(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)c1cccs1 731037276 ZYODMTHHFUQWKR-INIZCTEOSA-N 429.586 4.403 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 733313314 XQILGIBDMSSIDE-UHFFFAOYSA-N 429.369 4.044 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)n1 734701857 LPPGDCAUGDIEEG-UHFFFAOYSA-N 440.594 4.232 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1 734703281 LMTIEKKBRRGQPQ-UHFFFAOYSA-N 436.600 4.080 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1 735610605 OQXIWHIKILCNIO-UHFFFAOYSA-N 448.469 4.478 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@H](C)[C@H]2C)c1 735645756 WPKDLVFIEYURMK-HZPDHXFCSA-N 430.595 4.392 10 20 IICD C[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccsc1 738834139 IHESIEOTRCVJOX-UONOGXRCSA-N 433.485 4.197 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1 741069330 PKPGDWVRDQVZMU-UHFFFAOYSA-N 432.590 4.348 10 20 IICD COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCCC2)cc1 741074654 PGLIAFGCAUIZAM-RUZDIDTESA-N 434.584 4.098 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(-c2ccc(Cl)cc2)nn1 743809010 KJMPODDVQGJGCE-UHFFFAOYSA-N 435.709 4.051 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 743888796 FHBPOHAESSFCBC-UHFFFAOYSA-N 445.563 4.457 10 20 IICD Cc1nc2sn(CN(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c(=O)c2c(C)c1C 744436002 XOYSTZCOZXETLO-UHFFFAOYSA-N 438.519 4.471 10 20 IICD Cc1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1-c1ccc(Br)cc1 746623591 FTFZCJCOADMXQD-QGZVFWFLSA-N 441.373 4.295 10 20 IICD C[C@H](NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 747860408 BGTJPCUIUFCCSE-OPHFCASCSA-N 437.584 4.394 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNC(=O)c4ccccc4)C3)cc2)CC1 748972294 YRPUWGBABMLNKY-HSZRJFAPSA-N 448.611 4.275 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)n1Cc1ccccn1 751408029 XIXGDHOFXCBECN-RUZDIDTESA-N 446.595 4.436 10 20 IICD O=C(Cc1csc(-c2cccc(F)c2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 752152066 UKUKGUKHNZIZLD-HXUWFJFHSA-N 426.513 4.405 10 20 IICD C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752662457 BTMWQHWPTKHDLC-RDTXWAMCSA-N 439.528 4.130 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 753640031 GQZHZQXOXUKQHL-GOSISDBHSA-N 427.504 4.371 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)cc1 753905274 NELZBWIRFYSGAV-UHFFFAOYSA-N 449.559 4.058 10 20 IICD Cc1sc(NS(=O)(=O)c2cn(C(C)C)cn2)nc1-c1ccc(OC(F)F)cc1 753917871 CEFXJTPEDCICEV-UHFFFAOYSA-N 428.486 4.298 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1 753929575 FFRJVVJAOCBLMQ-INIZCTEOSA-N 437.462 4.324 10 20 IICD CCc1noc(C)c1COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 757989791 MIZKZIQPHGTYCR-MHWRWJLKSA-N 436.580 4.332 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cc(F)ccc2Br)SC1=S 761180803 KGNWLCZLALBDFF-ZSOIEALJSA-N 431.396 4.377 10 20 IICD COc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC1CCCC1 761230323 GYMFLOBZCXJXOX-UHFFFAOYSA-N 444.915 4.340 10 20 IICD COc1c(F)cc(F)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 761687746 PQTNZCLDCGLEIW-UHFFFAOYSA-N 427.398 4.365 10 20 IICD CC(C)[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 763548384 MOGQSQUYUWWOAZ-KSSSLANASA-N 428.373 4.238 10 20 IICD CC(C)[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)OCCO2 764756850 IKEZSPSPKAHDCE-GOSISDBHSA-N 435.318 4.122 10 20 IICD Cc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1Br 764806351 OVVPSNDRLYNSLP-UHFFFAOYSA-N 428.124 4.225 10 20 IICD O=c1c(Cl)c(NCc2cccc(Br)c2O)cnn1-c1ccc(F)cc1F 764934879 PZCVFDWHAYJLGO-UHFFFAOYSA-N 442.647 4.244 10 20 IICD COc1ccc(N2CCC(NC3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 765639157 ULLWYDTUCYFGPO-UHFFFAOYSA-N 427.976 4.212 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)C2CC2)cc1 770256767 MHRWJHCSJBCPPC-UHFFFAOYSA-N 439.531 4.343 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(CO)(Cc4ccccc4)CC3)cc2)CC1 770544963 VDJGKIUBWRNQBI-UHFFFAOYSA-N 435.612 4.450 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 773759970 CIYPOADTRHZOHI-YJYMSZOUSA-N 434.920 4.064 10 20 IICD C[C@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccc(N2CCOCC2)cc1 775258695 JDNFKWLCJCOMMW-ZDUSSCGKSA-N 449.374 4.248 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1 779474682 HFJBGTOTHACKLJ-UHFFFAOYSA-N 428.334 4.082 10 20 IICD COCCCOc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783481759 DPJHMNQPOFDOIS-IBGZPJMESA-N 447.535 4.417 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1sc(Br)cc1[N+](=O)[O-] 784054800 MPLNRBKRMBJVHH-UHFFFAOYSA-N 444.270 4.381 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 788929380 UTKBYOJEHGHQEB-INIZCTEOSA-N 435.490 4.387 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1 790501323 LHKQGUJJFJDTAL-ZDUSSCGKSA-N 447.329 4.350 10 20 IICD Cc1sc(Br)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C 799540560 NAMXSBQMHSPICR-UHFFFAOYSA-N 439.375 4.009 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1F 799925694 SZCSFVAOHHQWIY-JOCHJYFZSA-N 436.531 4.074 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 800049803 WJOGDIUSFKCSEP-SJORKVTESA-N 449.016 4.400 10 20 IICD C[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4ccc(S(N)(=O)=O)cc43)cc2Cl)C1 810240669 DQCWRGVAFHGFAG-KSFYIVLOSA-N 448.032 4.391 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCc1cncn1C 811924797 JMCGZMDBZPYESG-IBGZPJMESA-N 431.462 4.415 10 20 IICD CN(Cc1ccccc1N(C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 812024482 NHERRNMOINETLA-UHFFFAOYSA-N 432.515 4.164 10 20 IICD C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(C)Cc1ccc(N2CCCCC2)cc1 857759054 YSLALRUJWDJPIL-UXHICEINSA-N 437.584 4.146 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1 875930310 NXZZMYKCNHCQMI-UHFFFAOYSA-N 427.973 4.134 10 20 IICD CC(C)c1ccc(CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1 916969651 BLVZLFSRMGZEMQ-UHFFFAOYSA-N 439.575 4.067 10 20 IICD COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 917074169 RSVHVHDHONUTBG-DEOSSOPVSA-N 437.584 4.098 10 20 IICD Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccc(OC(F)(F)F)cc1 917192537 SIOXRVCKKVYWGI-UHFFFAOYSA-N 435.471 4.437 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c(F)c3)cc2)cc1 917713652 MYPKIFCXVXZDIW-UHFFFAOYSA-N 434.514 4.044 10 20 IICD CCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1-c1ccccc1 917714756 OPOLJXPRLGDNLN-ROUUACIJSA-N 436.531 4.117 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918082088 YVEOFNABYUBUJC-HMFYCAOWSA-N 443.538 4.495 10 20 IICD Cc1ccc(Br)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 918308294 JXIXJTWWKMFLSK-UHFFFAOYSA-N 444.373 4.345 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 918433442 ALENCNMRAKDOHL-HXUWFJFHSA-N 436.600 4.020 10 20 IICD Cc1cc(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)c(C)n1-c1ccc(F)cc1 1323794959 ZXDOCTRQRGDXJL-UHFFFAOYSA-N 440.500 4.201 10 20 IICD COc1cc(CCC(=O)Nc2c(Cl)ccc3nonc23)ccc1OCC(F)(F)F 1329518102 IVXDHYNIEUQBES-UHFFFAOYSA-N 429.782 4.397 10 20 IICD C[C@H](Nc1ncc(Cn2cc(Br)cn2)s1)c1ccc(N2CCOCC2)cc1 302834311 TVFRMJOMNSADOR-AWEZNQCLSA-N 448.390 4.160 10 20 IICD O=C1CCCN1Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 726091296 HCQMFMICLXAJGY-UHFFFAOYSA-N 433.508 4.020 10 20 IICD O=C(Nc1ccccc1-n1cccn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726696557 ROCIIWDZWYOHEB-UHFFFAOYSA-N 427.455 4.264 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S 727176765 ONFQTWXLRFBQPH-RIYZIHGNSA-N 431.396 4.377 10 20 IICD COc1cccc(CNC(=O)CCc2ncc(-c3ccccc3Br)o2)c1O 729859730 XVBLWTADTRBSEI-UHFFFAOYSA-N 431.286 4.067 10 20 IICD CC1CCN(c2ccc(CNC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2)CC1 731016388 JENABPJQBWQXRL-UHFFFAOYSA-N 447.535 4.463 10 20 IICD COC(=O)c1sc2ccccc2c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 731671663 KRXKSVANNDWSDH-UHFFFAOYSA-N 444.578 4.107 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](C)N3CCC(Cc4ccccc4)CC3)CC2)cc1 732067712 FQOMJJLEXRIDSB-NRFANRHFSA-N 435.612 4.123 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)[nH]2)NC(=O)OC(C)(C)C)cc1 742750821 QDCLKLRLIJIALX-HXUWFJFHSA-N 449.555 4.139 10 20 IICD Cc1ccccc1C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOCC1 742805151 HGQZDXKOBHNONL-IBGZPJMESA-N 444.522 4.430 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743151087 JYLIXBMBJYWOKV-MRXNPFEDSA-N 443.454 4.437 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccccc2Cn2cncn2)c1C 745526966 FOEMOMLYZPNRLR-UHFFFAOYSA-N 428.492 4.082 10 20 IICD Cc1cc(CCNC(=O)Nc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1ccccc1 746771838 ATSNXLDKCNKBNJ-UHFFFAOYSA-N 425.554 4.003 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 746892731 VQQUEAGZQUHCCB-UHFFFAOYSA-N 441.366 4.341 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 748715717 YPYBLMPHMWPWMZ-WOJBJXKFSA-N 431.399 4.422 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(Br)cccc2[nH]1 750719818 CKDZBVJGWVWPNA-UHFFFAOYSA-N 428.330 4.039 10 20 IICD CC(=O)N[C@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Cl)cc1 751301958 IDTULUOGPCCQMW-LJQANCHMSA-N 433.899 4.256 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cnccc3-c3cccc(F)c3)cc2)CC1 753556099 DNNGQXAWGALZPS-UHFFFAOYSA-N 446.526 4.379 10 20 IICD COc1cc(N2CCN(Cc3ccc(Br)cc3C)CC2)cc(OC)c1OC 759887516 VOILKKKUQROTOK-UHFFFAOYSA-N 435.362 4.106 10 20 IICD C[C@H](c1cccc(Br)c1)N1CC(=O)N(CCCSc2nccs2)C1=O 761298286 MINBACFWSWYTAP-GFCCVEGCSA-N 440.388 4.413 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 761972240 HXICAJXQRTWRNO-QMMMGPOBSA-N 429.654 4.216 10 20 IICD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 763279041 HTUXOLOKCBRVNQ-GFCCVEGCSA-N 444.329 4.024 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 764251997 DSVMIFJQOPYOII-UHFFFAOYSA-N 440.341 4.265 10 20 IICD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(Br)s1 764534158 SXUSXCMCILOFKH-UHFFFAOYSA-N 440.300 4.282 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cccc12 766744167 SJRCRUCJSIUIPM-UHFFFAOYSA-N 439.518 4.254 10 20 IICD Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(C)Cc1ccc(N2CCOCC2)cc1 768208040 MIXYZZHVDUPGBV-UHFFFAOYSA-N 426.511 4.236 10 20 IICD O=C(Cc1cccc(OCc2cccnc2)c1)NCc1ccc(N2CCSCC2)cc1 770672169 ZCUILQGBXOBZHB-UHFFFAOYSA-N 433.577 4.073 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc(N2CCOCC2)cc1 773241988 CTOOWKRUWIJAGP-AOMKIAJQSA-N 447.938 4.160 10 20 IICD O=S1(=O)CC[C@H](NCc2ccc(N3CCCC3)cc2)c2cc(Br)ccc21 775492382 NVBVOACQXYFFJT-IBGZPJMESA-N 435.387 4.058 10 20 IICD CC[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cc(Br)ccc1O 775541030 SKYKHFNXYLAHNQ-RTBURBONSA-N 432.362 4.168 10 20 IICD COc1cc(O)c(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1OC 775749035 PHTDJTASLZLDLN-UHFFFAOYSA-N 432.318 4.223 10 20 IICD Cn1c(CNCc2cc(Br)cc(Br)c2O)nc2cc(F)ccc21 776213307 APDJRGVSNYAZEM-UHFFFAOYSA-N 443.114 4.233 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-c2ncon2)cc1)c1ccc(N)cc1 783487629 XJTZCIQYSOPYCW-MRXNPFEDSA-N 427.464 4.052 10 20 IICD Cc1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cnn1-c1ccccc1F 784060152 WYXISHYTLNQTAA-UHFFFAOYSA-N 435.503 4.206 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 785429236 XPPJGOAESQWSDT-SFTDATJTSA-N 447.501 4.182 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CC3CCC(c4ccccc4)CC3)cc2)CC1 786261449 SFCFKLYGANLXTE-UHFFFAOYSA-N 433.596 4.335 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1 789265695 QQIZGNQEZYLOAJ-UHFFFAOYSA-N 435.576 4.470 10 20 IICD COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(O)c1 794370621 QWEGHWBEIYIZNC-OAQYLSRUSA-N 438.911 4.232 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(C(=O)Nc4ccccc4)C3)cc2)CC1 801015237 RVMZDDQWJNHDEQ-QFIPXVFZSA-N 435.572 4.029 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 801947369 WHMAVZFZIJPIBX-JVFUWBCBSA-N 435.572 4.145 10 20 IICD CN(C)CCn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1-c1ccccc1 807838471 SKFZSFOTVYKHRK-UHFFFAOYSA-N 433.339 4.054 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(N(C)C)cc1 808291142 FQUFSDHCEAYFLH-FOIQADDNSA-N 437.462 4.495 10 20 IICD CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)c2)n1 809762052 AQTGURCBRLNJEU-UHFFFAOYSA-N 447.461 4.023 10 20 IICD CC(C)(NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1[N+](=O)[O-] 813623356 XTNUINONYLIIJT-UHFFFAOYSA-N 448.470 4.400 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C[C@@H]1C 831877334 HKTMRYOMJJMLRE-AWEZNQCLSA-N 427.551 4.217 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC1=S 834697339 IUKOAAIKZRATGK-XIDKLXSXSA-N 435.567 4.091 10 20 IICD C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N[C@H](C)C(N)=O)c2C1 838629896 YWOFPSKISCVVDK-VBSCTQBMSA-N 442.563 4.027 10 20 IICD COc1ccc(CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 857758331 FYBKHCNKEMTEKG-HXUWFJFHSA-N 439.600 4.173 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 914851639 LPXKDQZIXRJRCO-UHFFFAOYSA-N 443.550 4.284 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 916502497 NKLYDNUWQULDPF-UHFFFAOYSA-N 426.538 4.030 10 20 IICD O=C(c1cc(F)ccc1F)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 916588043 PANHDLWTRGRXBU-UHFFFAOYSA-N 427.495 4.370 10 20 IICD CCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 916680781 OSNJKFACBJTPMV-HZPDHXFCSA-N 428.508 4.110 10 20 IICD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918118942 WKDJLPWXWCAENM-PXNSSMCTSA-N 434.540 4.037 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918296650 WZOJDCDHDYJSMB-GOSISDBHSA-N 444.959 4.317 10 20 IICD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCCC4)c3)cc2)C1 919823654 UVNDMAPGVPAHCY-IBGZPJMESA-N 441.597 4.350 10 20 IICD COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Br 920880394 IEPSSQDYXJTMKW-MRXNPFEDSA-N 447.373 4.104 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(Cl)c2c(c1)OCCCO2 108898438 SMJHBXTWVBMGRL-UHFFFAOYSA-N 441.959 4.286 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC(F)F 207905644 RPGAZSLBQIPDET-OVCLIPMQSA-N 437.445 4.401 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(n4c(O)nc5ccccc54)CC3)ccc21 484812295 WYOPPSNXYLNJMY-UHFFFAOYSA-N 446.551 4.437 10 20 IICD C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOCC2)cc1 726244649 DZPNWRMXZZPXGO-OALUTQOASA-N 442.991 4.063 10 20 IICD O=C1/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1CCc1cccnc1 727863981 NYTMNOGASHWYJJ-ZDLGFXPLSA-N 426.954 4.365 10 20 IICD CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 728520278 YLPLZZJKHIKCTG-HSZRJFAPSA-N 448.567 4.158 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4oc(C5CC5)nc4c3)cc2)CC1 731131020 ASZZSFKBLQUYNR-UHFFFAOYSA-N 432.524 4.196 10 20 IICD C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(-n5cccn5)cc4)cs3)ccc2O1 732911231 SESYPRSCGZJJAC-AWEZNQCLSA-N 438.534 4.120 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCN3Cc3ccccc3)cc2F)C[C@@H](C)O1 741145552 GEBUPRNGLPKZAL-UMEGOILYSA-N 439.575 4.110 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCCCN1C(=O)COc2ccccc21 743101548 RUHDPWKUBMRFGN-UHFFFAOYSA-N 432.318 4.003 10 20 IICD CCc1nc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)sc1C 743223763 ZGUWOWRGCVPQQV-UHFFFAOYSA-N 428.480 4.191 10 20 IICD CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 744379017 QCNXXFJQDJYMPD-ZIAGYGMSSA-N 438.505 4.116 10 20 IICD Cc1ccc(CCN(Cc2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 745747572 WQLNOACGEVMRML-UHFFFAOYSA-N 433.552 4.379 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC[C@H]1c1ccccc1 745800997 UVEAYYVTUPFQJX-NRFANRHFSA-N 431.483 4.040 10 20 IICD CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 748296444 MHWBATNLONRIQY-IBGZPJMESA-N 440.437 4.155 10 20 IICD COc1cc(C(C)=O)ccc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 749848414 IGPOXWUZWHIEMI-UHFFFAOYSA-N 445.496 4.404 10 20 IICD Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCSCC1 750312544 NXGDFENRAXDCNJ-LJQANCHMSA-N 440.613 4.268 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)cc2)CC1 752966825 MEKKABZNLUPISH-IBGZPJMESA-N 433.556 4.457 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](Cc3ccc(C)cc3)c3ccccn3)CC2)cc1F 753932571 SPIJNNVCTCDVNG-DEOSSOPVSA-N 448.542 4.353 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)cc2)CC1 756021906 HVXBTRDKNOQDSV-UHFFFAOYSA-N 432.572 4.238 10 20 IICD COc1ccc(O)c([C@@H](C)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)c1 756571442 FBPVWEGZZGRCJT-QGZVFWFLSA-N 437.540 4.006 10 20 IICD COc1cc(N2CCN(Cc3csc(Cc4ccccc4)n3)CC2)cc(OC)c1OC 759872031 GMMZNZYSYUDQQH-UHFFFAOYSA-N 439.581 4.082 10 20 IICD CC(C)(C)c1cnc(SCC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)s1 760416213 XGBNENZTROVZIH-UHFFFAOYSA-N 432.550 4.164 10 20 IICD C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCc1ccc(O)c(O)c1 762261154 IJJKJRRCNHVQGO-CYBMUJFWSA-N 432.929 4.387 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Cl)cc4cccnc34)SC2=S)cc1 763110146 WRMALMTYAZLWQZ-MHWRWJLKSA-N 425.922 4.393 10 20 IICD COc1ccc(CC[C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765283246 YEKQLKWVTZADGA-HXUWFJFHSA-N 449.574 4.062 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)cc1 767359255 FJBQPVJOVVEQGM-NVNXTCNLSA-N 449.351 4.427 10 20 IICD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 769427815 PEJWHUASNWXGOE-UHFFFAOYSA-N 431.939 4.166 10 20 IICD CCCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(Cl)c1 769956671 FZVZXWMGBISHQO-UHFFFAOYSA-N 429.948 4.473 10 20 IICD COCC[S@@](=O)Cc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 770578153 AOAHYLZDIQWMKT-SSEXGKCCSA-N 431.558 4.092 10 20 IICD COC(=O)C[C@H]1CSCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772149469 AZJXCHZFLFVBNW-SFHVURJKSA-N 426.542 4.289 10 20 IICD C[C@H](CCCCN1C(=O)c2ccccc2C1=O)NCc1cccc(Br)c1O 775144943 GDFYNFFBFJGJOE-CQSZACIVSA-N 431.330 4.099 10 20 IICD CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1O 775732229 MJPKVVWPDMPEAX-GOSISDBHSA-N 426.257 4.209 10 20 IICD CCN(C[C@@H]1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1)CC(F)(F)F 776134068 KZDYAJQUEFNNRM-KRWDZBQOSA-N 432.506 4.088 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(F)c1F 776306222 MOJUEYQZHXEJOO-INIZCTEOSA-N 427.474 4.071 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2F)C[C@@H](C)O1 779606930 LDWZCBOXLBMSFM-TXEJJXNPSA-N 445.844 4.437 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 795678162 BBHFBAXTIYCCNM-CYXNTTPDSA-N 434.580 4.195 10 20 IICD Cc1ccc([C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 798088208 JWEALAIXMYJLKF-WZONZLPQSA-N 445.585 4.158 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 800629727 WSTLWUHBGROPMG-UHFFFAOYSA-N 444.837 4.364 10 20 IICD COc1cc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c(OC)cc1Cl 800710946 YDDFPVOUEYLVQC-UHFFFAOYSA-N 431.964 4.418 10 20 IICD COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)CC2 800719966 PTTWLNOZQQFTRT-SJLPKXTDSA-N 433.980 4.061 10 20 IICD COC(=O)c1ccc(CNCc2cc(Br)cc(C)c2O)c(Br)c1 809753157 BKKGNVMHBZMSKU-UHFFFAOYSA-N 443.135 4.302 10 20 IICD O=C(c1cc(Cl)ncc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 810368834 IRUMTDJXAXJSDR-CYBMUJFWSA-N 425.710 4.025 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 915690755 ZBKNMJFSRPERMI-UHFFFAOYSA-N 425.529 4.144 10 20 IICD Cc1cc(CCNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccc1 916221269 VPWQCGHXNJVCNR-UHFFFAOYSA-N 440.588 4.335 10 20 IICD O=C1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)ccc2N1 917872866 QAOYMEUDGMFFHL-UHFFFAOYSA-N 439.562 4.374 10 20 IICD CCCOc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 918010075 IPYXEUQWVWPARY-LJQANCHMSA-N 441.572 4.476 10 20 IICD C[C@H](NC(=O)NCc1cccc(OCc2ccccn2)c1)c1ccc(N2CCOCC2)cc1 920869794 AKCCQPHGLFGBBO-FQEVSTJZSA-N 446.551 4.058 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1323426570 DCBPNDIWDKQSPM-HFZDXXHNSA-N 437.559 4.398 10 20 IICD COc1cc(N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])cc1OC 1325945591 FGGCFESTMMLHPF-UHFFFAOYSA-N 435.521 4.230 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776964 AUMMOVZMMFIHLN-UHFFFAOYSA-N 432.879 4.391 10 20 IICD C[C@@H](Nc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccc(N2CCOCC2)cc1 301131425 VEYOXKCRWCHKOI-CQSZACIVSA-N 446.885 4.174 10 20 IICD C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Br)cc1 302833598 PNWUYEJGVLAZJL-UZLBHIALSA-N 447.373 4.013 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)n(C)c2ccccc12 472815531 ZLOXMESSLSMUOM-HNNXBMFYSA-N 438.597 4.349 10 20 IICD CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(NC(=O)C4=S=CC=C4)cc3)cc(C)nc21 504613596 SGPOFZBHMCGIGJ-OAHLLOKOSA-N 433.537 4.179 10 20 IICD CCN(CC)C(=O)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 726092935 GAQIPJNJNXUALB-UHFFFAOYSA-N 435.524 4.379 10 20 IICD CC(C)Oc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1 726629363 MPSLQRRIGVFSEB-PDGQHHTCSA-N 433.576 4.283 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc3c(c2)OCCCO3)cc1 727605626 RKKJOEBCZREUGS-UHFFFAOYSA-N 435.524 4.419 10 20 IICD CCCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 728280204 PGFSQHMUOWFIKU-UHFFFAOYSA-N 437.584 4.244 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc21 728637746 FZLPDFFOIVVGOK-SFHVURJKSA-N 436.508 4.291 10 20 IICD O=C(O)c1ccoc1COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 730950251 BMQXNBKXQRTANG-VCHYOVAHSA-N 438.486 4.358 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1cccc2cccnc12 731455308 IIVAFZOPROCNNC-UHFFFAOYSA-N 426.524 4.044 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 732958787 WVIAKOMOHAYQCW-UHFFFAOYSA-N 428.330 4.067 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1OCC(F)(F)F 739067930 DUWQVPDXZHLMTP-UHFFFAOYSA-N 449.473 4.132 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(C(=O)OCc2ccccc2)c1 740920363 VHNCNFJVCKVASF-UHFFFAOYSA-N 441.531 4.419 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NC(=S)N[C@@H]3CCOc4ccccc43)C2)cc1 743015589 KLQWICWPUDMEFK-HNAYVOBHSA-N 433.524 4.245 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)c1 743285823 YDASAIIZZMYGBI-XSFVSMFZSA-N 426.563 4.328 10 20 IICD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)NCc1c(O)ccc2c1CCCC2 743610841 AMZYKFGAMMONJZ-UHFFFAOYSA-N 426.904 4.016 10 20 IICD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 743707405 GKUJIHCUOKKKMA-UKILVPOCSA-N 437.584 4.141 10 20 IICD O=C(CCc1ccc(Br)cc1F)NCc1ccc(N2CCC(CO)CC2)cc1 745187565 QXGSLEGGGBZQNM-UHFFFAOYSA-N 449.364 4.046 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1Cl 746232955 ZIFSTJYJQWADHE-HOCLYGCPSA-N 449.382 4.256 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCN(c4ccccc4OC)C3)c2C)cc1 749865833 ZPKRJXNMMRSYND-FQEVSTJZSA-N 433.552 4.368 10 20 IICD CO[C@H]1Cc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2C1 752969180 NDSLHQQJSULQIM-NQIIRXRSSA-N 431.483 4.192 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 753040006 DWSMVNHTXGTWQQ-OFNKIYASSA-N 425.598 4.207 10 20 IICD Cc1cc(C(=O)N2CCC(Cn3ccnn3)CC2)c(C)n1-c1cccc(Br)c1 753738187 CJKHGTJXNSWIAK-UHFFFAOYSA-N 442.361 4.001 10 20 IICD C[C@H]1Sc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2NC1=O 754543137 SPNQKVAANXMSBV-GFCCVEGCSA-N 428.469 4.147 10 20 IICD O=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 757009851 YXLVUFKBMXJUJC-UHFFFAOYSA-N 443.591 4.218 10 20 IICD COc1cc(Cl)cc(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1O 761214536 DRVKTAJDFVBHNC-QGZVFWFLSA-N 442.865 4.354 10 20 IICD CC(C)(C)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 763565054 JTLZGCCTKHTYPC-LPHOPBHVSA-N 425.520 4.150 10 20 IICD Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 765288151 URUHRQSNHVICFV-OAHLLOKOSA-N 426.561 4.465 10 20 IICD Cc1nn2c(CN[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c(C(C)C)nc2s1 766468884 KDEWZSIDGQCMOK-QGZVFWFLSA-N 434.009 4.336 10 20 IICD COC(=O)CN(Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1cc(Cl)ccc1O 766885509 RUVFYQIXIFJEIS-UHFFFAOYSA-N 428.794 4.381 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O 774865683 VJSBMHKROAHYLQ-SJORKVTESA-N 435.521 4.063 10 20 IICD CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OCC(=O)N1CCCC1 775054065 RRZGZGCABVTZMM-OAQYLSRUSA-N 444.959 4.490 10 20 IICD O=C(O)c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776743140 CCAAOLZJNWUCJV-UHFFFAOYSA-N 426.475 4.168 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)Cc3coc4cc(C)c(C(C)C)cc34)cc2)CC1 786258464 XTPXOQNBDNTEBN-UHFFFAOYSA-N 447.579 4.392 10 20 IICD CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 787555502 NTJANHRYENMJGC-UHFFFAOYSA-N 437.544 4.023 10 20 IICD C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccc(N2CCOCC2)cc1 793206700 AVEFJAGPPVERJL-OAHLLOKOSA-N 442.610 4.286 10 20 IICD Cc1ccc(N2C(=O)/C(=C/c3ncc(I)s3)SC2=S)cc1 794695076 KYGCTHKHIRFMSD-POHAHGRESA-N 444.344 4.462 10 20 IICD CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 795551544 XCLBDQMTXGUGMO-UHFFFAOYSA-N 446.550 4.034 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1COc2cc(F)c(Br)cc21 799884654 QYMNZWJEHYRNAN-GOSISDBHSA-N 434.309 4.121 10 20 IICD CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1 800031035 UDYYIBCPAKKGOK-UHFFFAOYSA-N 435.502 4.107 10 20 IICD Cc1c(N[C@@H](C)c2cc(Br)cc(F)c2O)cccc1N1C(=O)CCNC1=O 800500826 ZDFMOJKOJGRGQC-NSHDSACASA-N 436.281 4.222 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 802031103 CIIMJKYYKXTFOV-UHFFFAOYSA-N 440.540 4.181 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F 808866627 CMDJEUNRCOWKJS-CQSZACIVSA-N 441.425 4.314 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC(C)=O 814278652 PGQGSXZLJYQHRM-WQRHYEAKSA-N 429.519 4.343 10 20 IICD Cc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c(C)n1-c1cccc(Br)c1 814650907 SQYVTUOYQPFYDR-UHFFFAOYSA-N 437.301 4.289 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc(Br)cc2O)cc1OC 877852556 CLTXYRWFZBMPGB-LJQANCHMSA-N 447.329 4.120 10 20 IICD Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1cccc(Br)c1 918067539 LLFYAYPDMJCDBT-UHFFFAOYSA-N 442.361 4.005 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCCN(C)CC4)cc3)c2C)cc1 918614150 OHIIGBSGIRFTKU-UHFFFAOYSA-N 432.568 4.497 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1 919988871 UQEFDFQSTFLEAU-OAQYLSRUSA-N 425.916 4.262 10 20 IICD COc1ccccc1OCc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 920882141 PUJVEERWVQZJKQ-SFHVURJKSA-N 436.508 4.195 10 20 IICD CCC1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CCO3)C2)CCC1 1778337381 YJJAYBMSLLFCAS-MHZLTWQESA-N 449.595 4.118 10 20 IICD Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800713623 WPJDHWCKMVQWHV-QDMKHBRRSA-N 449.334 4.279 10 20 IICD COc1ccc(N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)Cc2ccccc2)cc1 137713084 HMTRJBLSISOOTF-UHFFFAOYSA-N 429.520 4.233 10 20 IICD COc1cccc([C@@H](CNC(=O)Cc2ccc(N)cc2)c2c[nH]c3ccccc23)c1OC 237534725 SZNDRJHJKMECPW-JOCHJYFZSA-N 429.520 4.258 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F 726249239 GJTOGSSBWIYSLJ-UHFFFAOYSA-N 431.515 4.289 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccnc4c(Br)cccc34)cc2)C1 726595838 RAQOJAPSBMUMKQ-MRXNPFEDSA-N 439.357 4.311 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)c1 726628120 UGVPINPNVCDWRW-JYRVWZFOSA-N 426.313 4.465 10 20 IICD COc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 726709520 XUJKDEAQKWAAIB-HNNXBMFYSA-N 437.462 4.111 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)c1 727247246 SPKUNUFQVRACCK-UHFFFAOYSA-N 443.550 4.203 10 20 IICD Cc1ccccc1-c1nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 727484184 ZHNSTIDHOATUSZ-UHFFFAOYSA-N 425.529 4.149 10 20 IICD O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)N(Cc1ccco1)Cc1ccccc1O 730139255 KEOIMMFLYUVQNT-SFHVURJKSA-N 427.451 4.254 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cc(F)c(Cl)cc3Cl)cc2F)CC1 730192625 IVCJJVXFJNTYOO-UHFFFAOYSA-N 428.310 4.344 10 20 IICD O=C(NCc1ccc(Br)cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 732472557 DIKAPKCYGJUYNO-KRWDZBQOSA-N 437.309 4.185 10 20 IICD CN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 734430331 ZGLWETOFRUPQKO-FYYLOGMGSA-N 425.960 4.166 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 734470308 BCHWXYSMDSFEBW-UHFFFAOYSA-N 437.565 4.100 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c(C)c1C 735408323 VMTSLTYAKPMWQS-UHFFFAOYSA-N 449.529 4.334 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 737118330 RRIZOJRJJKRHBB-UHFFFAOYSA-N 445.567 4.077 10 20 IICD CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 739754127 APOKECRVNMXDLJ-UHFFFAOYSA-N 429.586 4.110 10 20 IICD CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)Cc1nccn1Cc1ccccc1 743372904 JVKLTHHCLXTMMD-UHFFFAOYSA-N 427.504 4.206 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(N3CCOC3=O)ccc2F)c(C)n1-c1ccccc1 745135343 WPJPOKTWYKBAST-UHFFFAOYSA-N 436.439 4.230 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](OCCCc2ccccc2)C1 752005883 WTIFYWMHNBGDCX-XMMPIXPASA-N 439.625 4.173 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc4sc(C)nc4cc3OC)CC2)cc1F 753885816 MYYAYNBZQMJWGL-UHFFFAOYSA-N 430.505 4.115 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1 758416508 QNICENOXNDMRRI-SGEFVQMOSA-N 447.509 4.180 10 20 IICD CCC(C)(C)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 759365493 RHCVPIQPUZYRDD-ZROIWOOFSA-N 441.416 4.203 10 20 IICD O=[N+]([O-])c1cc(Br)cnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 761888714 FLOLKXQKESEXRV-UHFFFAOYSA-N 443.248 4.435 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)c1 761974132 UQLCHVVKXSYOKS-ZCLUNYJNSA-N 436.552 4.362 10 20 IICD CCOC(=O)C1CCC(O)(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CC1 762430821 OZGCEWBSKRLFIZ-ITGJCUMNSA-N 444.597 4.306 10 20 IICD COc1ccc(N2CCN(C(=O)C[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 763115982 IDTKEEFUZMCYFG-VQTJNVASSA-N 445.604 4.017 10 20 IICD CCOc1ccc(C(=O)NCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 764321311 UTOBSQUJNXILJA-LJQANCHMSA-N 432.520 4.311 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765283296 YSKAYQRLERXGEK-CJAUYULYSA-N 449.549 4.495 10 20 IICD C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 765478279 CXOLCHGEDXMFDZ-LJQANCHMSA-N 427.614 4.094 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 765779750 ZJELSXULIWJBPT-IBGZPJMESA-N 447.620 4.495 10 20 IICD C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 772999578 MZXMPHDLLPEOHH-JOCHJYFZSA-N 434.628 4.353 10 20 IICD Cc1ccc(-c2n[nH]cc2CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1 773408623 IOHBNMABANBPIC-FQEVSTJZSA-N 439.560 4.400 10 20 IICD COc1ccc(-c2ccncc2)cc1CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 775977889 GUZCFXJXAJXHRX-UHFFFAOYSA-N 449.551 4.105 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(OC)c(Br)c(OC)c2)c1 776024486 FAJADPWBVBPNDQ-SNVBAGLBSA-N 425.279 4.063 10 20 IICD CC(C)(C)OC(=O)c1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 776067721 DNURJOYRUZKICU-OAQYLSRUSA-N 440.540 4.238 10 20 IICD Fc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CCC2 776159437 WQEYCYFCHZWUPR-HSZRJFAPSA-N 435.522 4.249 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cnn(Cc4ccc(F)cc4)c3)SC2=S)cc1 780143638 RCSSEZVYDRUXKT-JMIUGGIZSA-N 439.537 4.481 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-c2ncon2)cc1)c1ccc(N)cc1 783487626 XJTZCIQYSOPYCW-INIZCTEOSA-N 427.464 4.052 10 20 IICD Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)nn1-c1cccc(F)c1 784114124 WXDRFBSTXUICJK-UHFFFAOYSA-N 435.503 4.064 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)cc(F)c1Br 785874430 XSNBQRJSKTWOPK-UHFFFAOYSA-N 444.251 4.025 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(C)cc1C 788338362 UWJSRDHALOCJKB-GOSISDBHSA-N 445.519 4.405 10 20 IICD COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C(F)(F)F 790911898 WAMLTKUPBDGSTL-UHFFFAOYSA-N 449.473 4.301 10 20 IICD COc1cc(OC)cc(Oc2ccc(CNCc3ccc([N+](=O)[O-])c(OC)c3O)cc2)c1 793605776 IFYGPPXOFPAAAB-UHFFFAOYSA-N 440.452 4.408 10 20 IICD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807291087 FQOWQVCLLVPAQS-HNNXBMFYSA-N 432.351 4.205 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc(Cl)cc(C)c3O)CC2)cc1 808687359 QKWODDGCPNWDEA-INIZCTEOSA-N 437.005 4.467 10 20 IICD Cc1cc(Cl)cc([C@H](C)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c1O 808717134 GIBKLQUWSNCCNL-PSLXWICFSA-N 427.932 4.430 10 20 IICD C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1ccc(N(C)C)cc1 808747203 DSVCJNKYQYDGAP-KRWDZBQOSA-N 432.561 4.246 10 20 IICD COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1OC(=O)c1ccccc1F 814284131 CSSHEPUHUJCKQO-WOJGMQOQSA-N 429.494 4.417 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2cc(Cl)c(F)cc2O)CC1 816559034 VIUKSDVKYRZZKK-UHFFFAOYSA-N 440.968 4.036 10 20 IICD C[C@H](OCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 918197185 PHLYWRXKFQSSLS-AQNXPRMDSA-N 443.563 4.406 10 20 IICD COc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)c1 918298464 VJOMPNUFHIEQDL-UHFFFAOYSA-N 443.507 4.398 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cc1 918433440 ALENCNMRAKDOHL-FQEVSTJZSA-N 436.600 4.020 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1C 918660985 BRYWAKGZTNWEIS-SFHVURJKSA-N 439.581 4.144 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCCOc3ccc(F)cc3F)cc2F)C[C@@H](C)O1 921281548 UGYGPEORJHAZAC-IYBDPMFKSA-N 436.474 4.193 10 20 IICD CS[C@@H]1CC[C@H](N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1329772239 GUWHLCCJKWSJMS-XKSMIVTLSA-N 440.681 4.472 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775521 ASFANMYOMHCFRX-UHFFFAOYSA-N 437.883 4.208 10 20 IICD Cc1oncc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775596 GHMGXAUWWOFVHS-UHFFFAOYSA-N 441.871 4.109 10 20 IICD Cc1nscc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1794855892 AWEIETLQVVCKIQ-QQFNCUIESA-N 448.592 4.425 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)nc2)C3)cc1 1800513420 JZHAFUCRAQVAMK-UADZTWIMSA-N 446.526 4.194 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 22245109 KLVQAAWETIZAKU-UHFFFAOYSA-N 446.503 4.233 10 20 IICD COc1ccc(N(CC(=O)Nc2cccc(N3CCCC3=O)c2)Cc2ccco2)cc1F 303859109 SXHYPTQIKGBWKZ-UHFFFAOYSA-N 437.471 4.199 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)CC4CCCCC4)CC3)ccc21 483505509 YAKBDOODCIAYTM-UHFFFAOYSA-N 439.600 4.159 10 20 IICD COc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccc1OC(F)F 520273947 MBGCVNDEXAAEFJ-UHFFFAOYSA-N 443.431 4.230 10 20 IICD COc1ccc(C)cc1NC(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731036150 HAUVPRVTJOKYPW-UHFFFAOYSA-N 439.556 4.420 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1F 731403594 PLJCCYFBQXYIHP-INIZCTEOSA-N 428.508 4.189 10 20 IICD Cc1cc(Br)c(NC(=O)COC(=O)c2cc(O)cs2)c(Br)c1 731910877 VPPNERLCRZUHQJ-UHFFFAOYSA-N 449.120 4.083 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2cc(OC)ccc2O)cc1 734016977 TULAIJIVAXLOHB-UHFFFAOYSA-N 443.503 4.121 10 20 IICD C[C@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 734937615 ZUIWGYFDSBQXMT-DRKIFQHWSA-N 443.613 4.453 10 20 IICD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1 738794023 WVYVVIYIDOOVHE-ZIAGYGMSSA-N 433.485 4.197 10 20 IICD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCc1ccc(N2CC=CC2)cc1 741090248 FNHQDSHJZROSQV-UHFFFAOYSA-N 433.531 4.366 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3OCC3CC3)cc2)CC1 741095490 GLUUQMYKYKIWII-UHFFFAOYSA-N 439.531 4.106 10 20 IICD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742416027 JOWRTTPMIAHWAU-JLPGSUDCSA-N 448.546 4.204 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)C2(c3ccccc3F)CC2)NC(=O)OC(C)(C)C)cc1 742751708 WGVKBJHCOGSIFW-NRFANRHFSA-N 441.547 4.306 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 742780325 GMZZGZYJAFWCMM-SFHVURJKSA-N 447.535 4.336 10 20 IICD CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804829 BSSGDWALFBPMGD-KRWDZBQOSA-N 443.494 4.060 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)COCc1nc2ccccc2s1 743808112 QPXWZCODNWOVKV-UHFFFAOYSA-N 435.343 4.330 10 20 IICD O=C(NCc1nnc2ccc(C(F)(F)F)cn12)N(Cc1ccccc1O)C1CCCCC1 745395484 ZEBITORSBSAKGJ-UHFFFAOYSA-N 447.461 4.498 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)ccc1C 745994792 ONEMGXZMHWXMQK-UHFFFAOYSA-N 432.523 4.023 10 20 IICD Cc1nnc(-c2cccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)o1 746313321 IMVVWRNDYRXNQL-KRWDZBQOSA-N 428.439 4.045 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Br)ccc2-n2cccn2)c1 746723670 HEUGBDWMKYSIAS-GFCCVEGCSA-N 431.290 4.232 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(NC(=O)C2CCCCC2)c1 750628811 HXSOIMSYEWQIKM-UHFFFAOYSA-N 436.556 4.364 10 20 IICD C[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccc(N2CCOCC2)cc1 752919597 ZDXOYECRGHJNEJ-IAGOWNOFSA-N 427.549 4.075 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](c3ccc(F)cc3)c3ccccn3)CC2)cc1 753613686 YLCHCVSGEMFFSC-SANMLTNESA-N 434.559 4.121 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC2)cc1F 753737647 AIXOAHJBSWSFKH-UHFFFAOYSA-N 442.494 4.407 10 20 IICD CC[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1ccccc1OCC(=O)N(C)C 756431785 DZWXNPAJSIAPTN-RDTXWAMCSA-N 435.362 4.424 10 20 IICD C[C@@H](NCc1cccc(N(C)C)n1)c1cc(Br)cc(Br)c1O 756770146 TWWCVOKCNSQJDB-SNVBAGLBSA-N 429.156 4.229 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(Br)c(F)cc3F)CC2)cc1 757910291 SOOPJFDVPAXXSV-UHFFFAOYSA-N 425.273 4.135 10 20 IICD CC(C)(C)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n(-c2ccccn2)n1 758053642 JXXRIOIWDVXAHP-IBGZPJMESA-N 449.555 4.484 10 20 IICD COc1ccc(-c2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)cs2)c(OC)c1 759697525 BFKGHZZTBWEDJU-UHFFFAOYSA-N 439.581 4.296 10 20 IICD CC[C@H](C)Oc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 759955461 GIBXOSIXTMTDSB-KRWDZBQOSA-N 443.544 4.244 10 20 IICD COc1cc(N2CCN(Cc3ccccc3OCc3ccncc3)CC2)cc(OC)c1OC 761218777 IDSWFMSCPZOQSR-UHFFFAOYSA-N 449.551 4.009 10 20 IICD C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1CC(F)(F)F 763172861 CIKHSMCMDSUNGE-OAHLLOKOSA-N 433.434 4.136 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c(Cl)cc1F 763552928 FHDUEVCXTBERFD-UHFFFAOYSA-N 434.792 4.404 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cc(C(F)(F)F)ccn1 765346355 XDZHNRMKJHUEQT-UHFFFAOYSA-N 448.367 4.278 10 20 IICD CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2cccc(Br)c2O)CC1 765746537 HNBSUOBRIJAFOE-UHFFFAOYSA-N 441.366 4.198 10 20 IICD COc1ccc2c(c1)nc(CNC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)n2C 770803343 QUFNAZBVQCZFEE-UHFFFAOYSA-N 442.479 4.252 10 20 IICD Cc1cc(F)ccc1Cc1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 771357375 XJVHRGLGKGKWGD-UHFFFAOYSA-N 445.497 4.343 10 20 IICD CN1CCN(c2ccc([C@@H]3Nc4ccc(Cl)cc4C(=O)N3c3ccncc3)cc2)CC1 771517719 IXDUUASYSRHTED-HSZRJFAPSA-N 433.943 4.258 10 20 IICD O=C(Cc1ccccc1I)N(Cc1ccco1)Cc1ccccc1O 771580500 YDKUDGRUDJXSPB-UHFFFAOYSA-N 447.272 4.361 10 20 IICD Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c(C)n2n1 772441622 BYUBBOZQRRKDPF-OAHLLOKOSA-N 433.478 4.052 10 20 IICD C[C@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccc(N(C)C)cc1 773017365 VTRYBWPKZDQYEF-LAUBAEHRSA-N 441.576 4.012 10 20 IICD CC1(C)c2ccccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 774025320 JFAZOKLTEZHUAQ-UHFFFAOYSA-N 442.562 4.188 10 20 IICD CC[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O 775483131 MEQOYNUNCDPIGM-DLBZAZTESA-N 425.392 4.330 10 20 IICD Cc1cc(NC(=O)CSCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)no1 777827062 WCXLHTGBVUKJKR-QGZVFWFLSA-N 439.537 4.150 10 20 IICD COc1ccc(Cn2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)cc1OC 778988201 OHTFFPQGSUDLRC-UHFFFAOYSA-N 447.491 4.090 10 20 IICD C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 779498263 CPADRRTUHDYDKP-DMIOIOJGSA-N 434.467 4.309 10 20 IICD COc1cc(Br)ccc1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 782250655 WCCOZMLAUNBYOR-MRXNPFEDSA-N 447.373 4.104 10 20 IICD Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1C(=O)N1CCCCC1 786194177 FUNAFLUIYGRXOD-UHFFFAOYSA-N 446.345 4.411 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2)CC1 786256576 UMVFDCZCRWKXMS-FGZHOGPDSA-N 446.378 4.082 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 789758542 VBKGASGHWKDKMA-MRXNPFEDSA-N 429.586 4.377 10 20 IICD Cn1cc([C@@H]2CSCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 792406606 DPECWVNQQCZGGV-FQEVSTJZSA-N 434.525 4.091 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 793746430 ZCUMZWVQZDFPAG-MRXNPFEDSA-N 447.373 4.031 10 20 IICD CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 798981039 HZHRTWNNIHVVFG-GOSISDBHSA-N 440.975 4.271 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cnn1C1CCOCC1 800571781 MZDCOKSXOKARCH-MRXNPFEDSA-N 430.980 4.363 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(COC(C)(C)C)c1 804244790 JKSCRNDBKAZAMF-UHFFFAOYSA-N 439.600 4.121 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 805479463 BIWRDZFFCYXUDI-LLVKDONJSA-N 431.341 4.053 10 20 IICD COc1cc(N2CCN(Cc3cc(F)c(C(F)(F)F)cc3F)CC2)cc(OC)c1OC 805750219 HHAKZGCSFKVTCP-UHFFFAOYSA-N 446.416 4.332 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccc(-n2cccn2)c1 806636304 YIVHKSCEGJADRJ-LJQANCHMSA-N 446.551 4.117 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F 807080042 YZKAOMHCBFZOEA-UHFFFAOYSA-N 440.874 4.457 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1ccc(N(C)C)cc1 807677367 OCFHUOUKOJUAHW-OAHLLOKOSA-N 433.474 4.140 10 20 IICD COc1c(C)cnc(CN2CCC(N(C)Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c1C 809766378 YMHXMXJLQAVNMW-UHFFFAOYSA-N 448.951 4.071 10 20 IICD CCn1c(/C=C/c2cn(C)nc2C(F)F)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 812241438 HUDWWYHNLSCKHC-QPJJXVBHSA-N 434.390 4.191 10 20 IICD COc1c([N+](=O)[O-])cc(N2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])c1Br 813637809 WEKNAUBJMXPVMP-SNVBAGLBSA-N 438.234 4.062 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)c(C)n1-c1ccccn1 914907263 UEBFUDZJWXDSBA-OAHLLOKOSA-N 429.423 4.275 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3cccc(S(C)(=O)=O)c3)c2C)cc1 915668333 KNZOKNGJNNTDRB-UHFFFAOYSA-N 427.522 4.158 10 20 IICD O=C(NCCc1ccc(Br)s1)NCc1ccc(N2CCSCC2)cc1 916235848 YNADYTBLWQJRCT-UHFFFAOYSA-N 440.432 4.106 10 20 IICD Cc1ccc2nc(SCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 917169957 OFTLCBKPBYDANU-IYBDPMFKSA-N 442.560 4.033 10 20 IICD COc1ccc(CCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c(OC)c1OC 917627014 HXEYONMGPXMAEF-UHFFFAOYSA-N 436.552 4.411 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(Cl)c1 917846709 ZQWSEUVOCDNINQ-UHFFFAOYSA-N 431.829 4.451 10 20 IICD Cc1ccc(OCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 921284265 VGYZSCJUULOUMI-QGZVFWFLSA-N 447.373 4.240 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cc(N4CCOC4=O)ccc3F)cc2)CC1 1321634829 OYGMCSHVJIDOGC-UHFFFAOYSA-N 426.492 4.340 10 20 IICD CCN(CC)C(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1Cl 1323298352 PVOYYRTWNLIVKA-UHFFFAOYSA-N 432.971 4.325 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC3(F)F)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776728 OUOKZVWHRFDKOM-AWEZNQCLSA-N 436.842 4.154 10 20 IICD Cc1c[nH]cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797026061 MHJZABCWAKYDRB-UADZTWIMSA-N 430.552 4.296 10 20 IICD Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc(OC(F)(F)F)cc1 11479939 IZFGYVHTCVJCGS-UHFFFAOYSA-N 428.461 4.401 10 20 IICD COCCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)ccc21 492960967 NFZNWROCWDXBSZ-UHFFFAOYSA-N 449.551 4.082 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 542947646 GWRVOXBVCJPJOS-UHFFFAOYSA-N 448.498 4.253 10 20 IICD O=C(Cc1ccc(OC(F)F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565146 COSQQFXTTBVZOR-UHFFFAOYSA-N 426.410 4.217 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 727168195 KFMWWPULZKQBQK-UHFFFAOYSA-N 446.550 4.013 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C2CC2)cc1 729174328 DDUWMXVRQBALPX-OAQYLSRUSA-N 444.000 4.112 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(I)c(F)c2)C2CC2)cc1 729175301 WUHZBMMVYQBSAC-UHFFFAOYSA-N 438.284 4.301 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 730535236 IMNRQGQRUSGSPY-SFHVURJKSA-N 448.654 4.466 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2OC)c2nccn2C)cc1F 731363472 GKKARSFLYKOCOV-JOCHJYFZSA-N 439.535 4.003 10 20 IICD O=C(C[C@@H]1CCc2ccccc2C1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 732538650 CXBWGSJGEQBZNX-QGZVFWFLSA-N 432.486 4.353 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 734072196 SUMXBMCRZBXEEU-PBHICJAKSA-N 437.462 4.054 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C(C)C 735173907 FQHFYICMVSEMJR-HSZRJFAPSA-N 439.556 4.362 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cnc(Cl)c(Cl)c1 739383468 ZBLURKAVLGDNDT-UHFFFAOYSA-N 444.321 4.084 10 20 IICD Cc1cc(C(=O)NCCCOC[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1 740843825 XZZUQIXOOJAABF-QGZVFWFLSA-N 435.362 4.030 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@H]2CCc3ccccc3C2)C1=O 743284360 LLFIHTFZZRZRMV-WCEBZYJUSA-N 441.574 4.471 10 20 IICD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 743707401 GKUJIHCUOKKKMA-ILBGXUMGSA-N 437.584 4.141 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 744342517 UVMFFOIAOFDZRA-IBGZPJMESA-N 426.561 4.208 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(F)cc(F)cc3F)c2C)cc1 745150928 COLQDYYYUPSAAT-UHFFFAOYSA-N 445.393 4.338 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Oc1ccccc1F 745892416 XUSBNRREIXSFNQ-ZDUSSCGKSA-N 425.298 4.293 10 20 IICD Cc1cccc(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 749146618 RIHOBUXWUZRMJX-NBVRZTHBSA-N 430.620 4.397 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 753831545 RYYJYWIBKXIJKE-UHFFFAOYSA-N 437.565 4.095 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)CC2)cc1 754290812 ISARCRWTJDFHRJ-REWPJTCUSA-N 427.520 4.023 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c1 754876633 DWBYADLGNRAJDL-RYUDHWBXSA-N 425.298 4.294 10 20 IICD C[C@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)c(F)cc1O 756735454 CVZVXDCPOGFYHQ-LIRRHRJNSA-N 435.337 4.178 10 20 IICD CC(=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 757501358 HCDDMPHJKHGRQO-UHFFFAOYSA-N 433.460 4.108 10 20 IICD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN(C)c1ccc(OC)c(Cl)c1 757856802 NXOOWTUZNOUBPF-UHFFFAOYSA-N 446.853 4.468 10 20 IICD COc1ccc(Br)c(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 758367215 IMEBSFZOBVNLKJ-UHFFFAOYSA-N 432.362 4.400 10 20 IICD Fc1cc(CNCc2cc3ccccc3s2)ccc1N1CCN(c2ncccn2)CC1 758487255 SRKRFWNDHQRWJI-UHFFFAOYSA-N 433.556 4.447 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H](c3cccc(Cl)c3)C(C)C)CC2)cc(OC)c1OC 759220727 MEXAVBHIDFVPIV-JOCHJYFZSA-N 446.975 4.454 10 20 IICD C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 768259141 YRAATNMPDYIGGC-VWLOTQADSA-N 425.548 4.094 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 769629120 FATRAPNSADJXNA-KRWDZBQOSA-N 442.459 4.150 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 772777614 WJAYCGLNFNRMSZ-LCYFTJDESA-N 427.472 4.155 10 20 IICD CC[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)ccc1O 775513687 SZVFJDDFLJBRCU-UYAOXDASSA-N 431.374 4.429 10 20 IICD Cc1cc([C@](C)(O)CNCc2cc(Br)cc(Br)c2O)c(C)o1 776214122 JUYRYLTWZLRJDA-MRXNPFEDSA-N 433.140 4.124 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)cc2)CC1 776302603 RJQMZHFHURPVDG-UHFFFAOYSA-N 432.523 4.025 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 779520667 VAEGZYSEICTEMS-DUXPYHPUSA-N 445.262 4.099 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 780676298 FKURUWGRTUNCLE-FQEVSTJZSA-N 432.609 4.464 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCCCC[C@@H]3c3c(C)n[nH]c3C)CC2)cc1 781373062 ZDMPMPSPCDJDJD-JOCHJYFZSA-N 425.577 4.331 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1F 782719867 XLHKJICXRWUINZ-LJQANCHMSA-N 425.426 4.194 10 20 IICD O=C1/C(=C\c2cn(-c3ccc(Cl)c(Cl)c3)nn2)SC(=S)N1c1cccnc1 783700166 KCDVBCQKNKMKJB-GIDUJCDVSA-N 434.333 4.375 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(N[C@H](C)C(C)C)c3C)cc2)CC1 787323706 YSJYHBPIKNZJEW-HXUWFJFHSA-N 436.600 4.050 10 20 IICD C[C@@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O 788611108 GEXCIUUMRDXGMB-WIYYLYMNSA-N 436.527 4.053 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 788938935 GFYYJFVUSLWNCO-INIZCTEOSA-N 435.490 4.387 10 20 IICD CSc1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br 792702740 FIWCWHSTPLDEKZ-UHFFFAOYSA-N 426.716 4.470 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c(C)n1-c1ccccn1 793483202 ZHYPIILCJVEJCK-UHFFFAOYSA-N 442.491 4.445 10 20 IICD CC(C)(C)NS(=O)(=O)c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 796401953 KJOICFVDFQPEAE-UHFFFAOYSA-N 446.573 4.274 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c(F)cc(F)c(F)c1F 797520133 AVVZCANZWSROMM-UHFFFAOYSA-N 435.215 4.443 10 20 IICD COc1cc(Br)cc(CN[C@H]2COc3cc(F)c(Br)cc32)c1O 800306334 LRRNNABBGRNKMB-ZDUSSCGKSA-N 447.098 4.288 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CSc3nnc(S)s3)cc2Cl)C1 800571237 HETWDMYDHPHYOZ-LLVKDONJSA-N 429.036 4.125 10 20 IICD CN(Cc1cc(F)c(F)c(F)c1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 803678013 WJIACJPZIKJPMO-UHFFFAOYSA-N 447.501 4.148 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 807506353 VOZYQSYJEOLCRW-RBBKRZOGSA-N 425.548 4.081 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(OCc3ccccc3)cc2O)s1 809720725 GOHLLSAWBVZZQC-HZPDHXFCSA-N 440.569 4.138 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)ccc1Cl 812561034 AHYGBTLDKTYZDL-UHFFFAOYSA-N 437.886 4.107 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)cc1 815156132 VPJTUIDOPMYBSB-MHECFPHRSA-N 425.548 4.145 10 20 IICD Cc1cc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)ccc1F 914447127 INGPZWKIRJFODH-BOPFTXTBSA-N 434.583 4.493 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1C(N)=O 914789681 SNLNCCMIZKQQAP-UHFFFAOYSA-N 445.566 4.016 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 916625487 LDVFANFSONNNKD-JOCHJYFZSA-N 427.570 4.119 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)c1 916668339 DHBZXUUOYHDJPQ-UHFFFAOYSA-N 436.325 4.179 10 20 IICD CC(C)Oc1ncccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916684642 QQJNDNOFGSRXML-UHFFFAOYSA-N 438.450 4.046 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c(C)n1-c1ccccn1 918587811 IQIREDXMSNXTSU-UHFFFAOYSA-N 425.492 4.066 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1nc(-c2ccccc2)oc1C1CC1 1318001330 UFSBUUWQOWIIAU-UHFFFAOYSA-N 433.508 4.100 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1320249442 ZVZIFOHEQLYBRC-SJLPKXTDSA-N 434.627 4.317 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(F)(F)Cl)C3)cc1 1800515820 ZKKJVJXGVMGQAB-GGPHIMKMSA-N 435.902 4.178 10 20 IICD Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccncc2)cc1C 24775577 ALHZRBVMSXIPAB-UHFFFAOYSA-N 432.505 4.332 10 20 IICD CN1CCCc2cc(CNC(=O)C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)ccc21 195740228 KZPQMFBDZDSYTA-OAQYLSRUSA-N 449.498 4.135 10 20 IICD Cc1cc(-c2nc(-c3cc(O)nc4ccccc34)no2)ccc1NC(=O)C1=S=CC=C1 570008304 VQRAJZSAOAMVDL-UHFFFAOYSA-N 428.473 4.182 10 20 IICD FC(F)Oc1ccc(N2CCC(Nc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1 726594176 IQDNHTZUJKGICC-UHFFFAOYSA-N 436.466 4.474 10 20 IICD O=C(NCc1ccccc1OC(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612132 ZFOVZDUTUTUUKN-UHFFFAOYSA-N 441.425 4.358 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccncc3)SC2=S)cc1 726627282 MIRGZJBJIQCWDU-DEDYPNTBSA-N 447.541 4.165 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)s1 727245544 CEOSHTLRGRKWMM-UHFFFAOYSA-N 434.524 4.080 10 20 IICD CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1 727251284 QQXZCOOAIRBWIS-UHFFFAOYSA-N 435.502 4.107 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 728950569 TYSKOSNEBNCZSG-VGSWGCGISA-N 429.948 4.021 10 20 IICD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 729535756 UTPNYUDSTFYVDQ-AWEZNQCLSA-N 438.455 4.292 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC3CCC(c4ccccc4)CC3)cc2)C1 730964988 VVJDVANNYKCCRN-VZYOYLOZSA-N 433.596 4.369 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)C3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 731121302 QHAWOJBMVGZIRI-UHFFFAOYSA-N 448.611 4.369 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3cccc(F)c3)cc2)CC1 731121385 UIXNFXZUZKAAHQ-UHFFFAOYSA-N 426.580 4.335 10 20 IICD O=C(c1nn(-c2ccccc2F)c2c1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 731856689 QQMYQQVWMHWUBS-GOSISDBHSA-N 435.499 4.027 10 20 IICD COc1ccc(C(=O)Nc2cccc(OCCNCc3c(O)cccc3Cl)c2)cc1 733328159 PJRDMTIVTYJPCB-UHFFFAOYSA-N 426.900 4.475 10 20 IICD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)NCc2ccc(N(C)C)cc2C)c1 734643226 XFRQDBXUSBFWKC-UHFFFAOYSA-N 446.617 4.030 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 734687046 DMMZIDCUGYKSIO-HXUWFJFHSA-N 432.362 4.107 10 20 IICD COc1ccc(N2CCCN(Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)CC2)cc1 742145725 DARPELPVTJMXLM-UHFFFAOYSA-N 431.512 4.064 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1SCCc2ccccc21 742553091 XXHJIOPCVSZEGA-FQEVSTJZSA-N 436.499 4.189 10 20 IICD Cn1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc2cc(C(F)(F)F)ccc21 742689679 IPZSJYSFGTWCGI-UHFFFAOYSA-N 445.485 4.336 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccccc2OC(F)F)NC(=O)OC(C)(C)C)cc1 742752213 FKLJMKQVBWAVKH-SFHVURJKSA-N 449.498 4.350 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1OCC(F)(F)F 742801089 YNZLWJNTLRPMBG-ZDUSSCGKSA-N 445.388 4.023 10 20 IICD O=C(N[C@H]1CCOc2ccc(F)cc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745811927 HWTWONASWJROEW-BEFAXECRSA-N 435.446 4.219 10 20 IICD C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](OC1CCOCC1)c1ccccc1 747402312 AMZISQDCGJVYKV-CLOONOSVSA-N 437.584 4.194 10 20 IICD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1C 748682309 WQFZYBJATMTOQX-UHFFFAOYSA-N 425.438 4.414 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)sc2C)cc1 748991139 FUWCIMMCCWHGNT-UHFFFAOYSA-N 443.550 4.055 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 749141704 IYDVDDVUHWMSPW-UHFFFAOYSA-N 440.569 4.027 10 20 IICD O=C(NCc1ccc(OC2CCCC2)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749929964 AISOVXHVBFYZRG-UHFFFAOYSA-N 441.547 4.108 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)n1 751015704 CNXQQTSJZHLQGV-UHFFFAOYSA-N 449.555 4.138 10 20 IICD CCN(Cc1ccccn1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 752471665 KHNSRLRYRHNYEB-LGMDPLHJSA-N 431.608 4.173 10 20 IICD C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cc(F)cc(F)c1O 756430770 LAPFHSVOTHTCIX-MRXNPFEDSA-N 442.485 4.382 10 20 IICD O=C(NCc1cc2c(cc1OC(F)F)OCO2)N(Cc1ccco1)Cc1ccccc1O 757252190 UARATGOJVHQZHJ-UHFFFAOYSA-N 446.406 4.227 10 20 IICD CSCC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nnc2ccccn12 764721093 HYOTWQARQJEORR-UZLBHIALSA-N 446.020 4.364 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)s1 765534367 IZOLPHKLOBAZPD-UHFFFAOYSA-N 441.987 4.270 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CCCc3sccc31)c2[N+](=O)[O-] 767136042 CFXBCWJCTDCJJV-QGZVFWFLSA-N 432.457 4.239 10 20 IICD Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768917298 XEABAJPNILMSCD-IBGZPJMESA-N 425.916 4.403 10 20 IICD O=C(CCN1CCCCC1)Nc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 770552373 YFVRRHILCAVSGR-UHFFFAOYSA-N 440.563 4.089 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 772487495 HTOCYBKLURUSHL-QUCCMNQESA-N 432.609 4.462 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc(N(C)C)cc1 773617511 DMMRASJCTWDHLY-IBGZPJMESA-N 429.568 4.271 10 20 IICD Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cnc2c1Cl 776081892 CSQMPKFDRPEACP-UHFFFAOYSA-N 440.337 4.269 10 20 IICD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2F)n1 784107917 CLQIVDWFKFGYOP-UHFFFAOYSA-N 449.530 4.372 10 20 IICD Cc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1Br 786725671 SFIIBUJHQNBWMX-MRXNPFEDSA-N 432.362 4.155 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(Cl)ccc2F)nc1-c1ccccc1 789738795 GXQYPIGHTZCKEQ-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 789757395 LXOYNISNABPNFM-UHFFFAOYSA-N 435.528 4.468 10 20 IICD Cc1ccccc1[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C 789843664 BJZWAEFQISYNCI-JOCHJYFZSA-N 439.625 4.068 10 20 IICD COc1ccc([C@@H](NCc2c(O)ccc(Cl)c2F)c2cccc(S(C)(=O)=O)c2)cc1 790970366 HCXHHLURZGEXBF-JOCHJYFZSA-N 449.931 4.476 10 20 IICD CN(C)C(=O)Nc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 793502418 ZQUSGQRAORTEEF-UHFFFAOYSA-N 449.555 4.351 10 20 IICD C[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 795593121 VTDLDAVTGJERAI-LJQANCHMSA-N 429.520 4.267 10 20 IICD COc1cc(Br)c(/C=C2\SC(=S)N(CCCSC)C2=O)cc1OC 799201016 SSAZMQXLECCFPC-ZSOIEALJSA-N 448.429 4.421 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@]2(CCO[C@H]2C)O1 799994404 LMOOQJBDXMYXMX-SCYDXJQRSA-N 435.996 4.054 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)c(F)cc1C 802610735 OBLHYGRBVUITKV-UHFFFAOYSA-N 437.309 4.370 10 20 IICD Cc1cc(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 804395874 YGHLNWLYKYBQOG-APWZRJJASA-N 428.882 4.309 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)(C)c1ccccc1 807484494 LIZMDIIWDZWJIU-HSZRJFAPSA-N 434.536 4.387 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 914577306 PEMFLPYLDMRQFK-UHFFFAOYSA-N 426.466 4.215 10 20 IICD CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1ccccc1 915722872 NOILBIZKLHVFST-HSZRJFAPSA-N 429.524 4.330 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 916138586 ORCBKRBTUUOZAL-UHFFFAOYSA-N 447.491 4.496 10 20 IICD O=C(NCCOc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916650954 ZLDAMFGQEJMZSZ-IBGZPJMESA-N 438.446 4.181 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2F)C[C@@H](C)O1 918140362 LUCUSZQJNNWBHN-ZIAGYGMSSA-N 447.457 4.452 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 919652586 NMSUJMHQKCCNBB-UHFFFAOYSA-N 432.524 4.472 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCO[C@H]1c1ccccc1 920240834 FCVYMHRWCCEJRL-GMAHTHKFSA-N 425.598 4.207 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C(F)(F)F)c1 920786007 GJXPBGFQJQIFRA-UHFFFAOYSA-N 449.473 4.300 10 20 IICD CS[C@@H]1CC[C@@H](N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1329772237 GUWHLCCJKWSJMS-WLGVDNMXSA-N 440.681 4.472 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccc(-c4cnn(C)c4)cc3)SC2=S)c1 1344420036 ZBCUPMXMJXAAAP-JMIUGGIZSA-N 434.546 4.451 10 20 IICD CC(C)/C=C/C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1792061991 YPKXHUYCKJLPOT-HITCCNIDSA-N 436.508 4.163 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1Br 14274036 OFWAEISKVGVLSM-UHFFFAOYSA-N 440.250 4.098 10 20 IICD CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1 18468146 JATDBLMXNHYZMS-UHFFFAOYSA-N 444.004 4.435 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1-c1ccccc1F 105590797 NDGKWMSMHPRQDV-OAQYLSRUSA-N 436.531 4.207 10 20 IICD O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 116034724 JCQXMNMNUCPWLR-AREMUKBSSA-N 441.575 4.334 10 20 IICD O=C(CCCOc1cccc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1 302946050 CQZHHXULIXXLFI-UHFFFAOYSA-N 436.527 4.415 10 20 IICD Cc1cc(-c2nc(CC(=O)Nc3c(C)cccc3C)no2)ccc1NC(=O)C1=S=CC=C1 445321379 OTKVRYFQUGXHMB-UHFFFAOYSA-N 446.532 4.059 10 20 IICD COc1cccc2c1OCC[C@H]2NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726616214 KPSGHTXQABSBCY-LJQANCHMSA-N 447.482 4.088 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 731048042 DRFLQOMMDPEADI-NRFANRHFSA-N 444.620 4.369 10 20 IICD C[C@H](NC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 733658186 ROYLBUJJUWMVSE-SIKLNZKXSA-N 425.573 4.212 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CCc4ccccc4C3)cc2F)C[C@@H](C)O1 734066488 UNZZLVZDOWMCNG-SVMVAKDDSA-N 425.548 4.138 10 20 IICD CC(C)(C)c1nsc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 734932842 IIQSZDSVZJZFDV-UHFFFAOYSA-N 443.495 4.013 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)c2C)cc1 739768701 XBGBDSUVFMKYRQ-UHFFFAOYSA-N 446.551 4.057 10 20 IICD CCOc1ccc(OC)cc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743149057 ULLBHTWNTDTXDR-HNNXBMFYSA-N 435.471 4.486 10 20 IICD COCCN(CC[S@](=O)c1cc(Cl)ccc1Cl)c1ccc(OC)c(OC)c1 746475755 XMZSHYDLFYDVPO-MHZLTWQESA-N 432.369 4.271 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 748479427 WBVNSOBKLUYIAA-UHFFFAOYSA-N 432.263 4.141 10 20 IICD CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 750230554 NGSHYQZGPLKXKX-ROUUACIJSA-N 438.505 4.164 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cc1 751018455 QXCNUBOEYJXBJS-UHFFFAOYSA-N 449.555 4.048 10 20 IICD COc1ccc(N2CCN(CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1F 753856472 AIAVHAUZWAPEGU-UHFFFAOYSA-N 440.544 4.027 10 20 IICD COc1ccc(N2CCN(C(=O)NCCc3nc4cc(Cl)ccc4s3)CC2)cc1F 753928802 BTHHGGLWCBERSK-UHFFFAOYSA-N 448.951 4.172 10 20 IICD COc1cc(OC)c(CCN[C@H](C)c2cc(Br)cc(F)c2O)c(OC)c1 756549546 GPPZPRICKXGJNL-LLVKDONJSA-N 428.298 4.213 10 20 IICD O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 758164702 ZLEKREBREISAEC-UHFFFAOYSA-N 442.074 4.171 10 20 IICD COC(=O)c1nc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)sc1C1CC1 760752079 DZFMEYWATVDPMJ-UHFFFAOYSA-N 425.510 4.476 10 20 IICD C[C@H](c1ccccc1)N1CC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O 761635421 KXWFKFPKZVFBTR-VQIMIIECSA-N 429.467 4.282 10 20 IICD Cc1ccc(Br)c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 761893856 CBSKQNKNTJFGIJ-UHFFFAOYSA-N 436.325 4.179 10 20 IICD CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(-c2ccccc2)ccc1O 768162592 RIPZLHGCXJZRHL-UHFFFAOYSA-N 445.563 4.356 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cnccn4)n3C)c2C)cc1F 768407780 UYSBZTPMZFBZFP-UHFFFAOYSA-N 436.516 4.102 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1 769652527 JXUYKQZDWRQBTJ-JOCHJYFZSA-N 436.489 4.029 10 20 IICD C[C@@H]1Cc2ccccc2N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 769770052 YHHUJQKKEGZNCX-CQSZACIVSA-N 428.535 4.094 10 20 IICD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1C 771134228 PRJCTEIWCQWAGZ-UHFFFAOYSA-N 441.481 4.011 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2nc(-c3ccccn3)oc2c1 772111678 HZOSPGGVCOOALV-UHFFFAOYSA-N 434.839 4.218 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc1 773677481 VBGKYCZFDPEUOM-UHFFFAOYSA-N 428.558 4.207 10 20 IICD Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 774363666 VFIMZPJBXMAXBR-UHFFFAOYSA-N 428.554 4.128 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccn(C(F)F)n2)c(C)n1-c1ccc(OC(F)F)cc1 775935626 GSCKGONWOYYGQF-UHFFFAOYSA-N 439.365 4.327 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2cc(Br)cc(C)c2O)N(C)C)cc1OC 779029845 KSVJZPPEYGUXQO-KBXCAEBGSA-N 437.378 4.434 10 20 IICD CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C 780495923 FOZGNFOQLQDADW-CPJSRVTESA-N 447.620 4.200 10 20 IICD Cc1oc2c(CN3CCC(CC(=O)N(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 781145321 YQJYCBWDZGBTJF-UHFFFAOYSA-N 434.536 4.164 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1cccc(OC(F)(F)F)c1 783721396 YPNVANSNDJAPBF-UHFFFAOYSA-N 425.476 4.251 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 784026114 CFQRRLGZANQCHA-UHFFFAOYSA-N 430.373 4.424 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784106856 PKJKUDNEDKZXMT-UHFFFAOYSA-N 442.947 4.433 10 20 IICD Cc1cc(C(=O)CN2CCN(C3CCOCC3)C[C@@H]2C)c(C)n1-c1ccc(F)c(Cl)c1 785983113 ZGLNBMKRVJCMDM-KRWDZBQOSA-N 447.982 4.254 10 20 IICD COc1cc(O)c(CN(Cc2cccc(Br)c2)C2CCOCC2)cc1OC 786104726 HGSHLPJKBOSGQY-UHFFFAOYSA-N 436.346 4.353 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)Cc3csc4ccc(Cl)cc34)cc2)CC1 786259405 OFQWMDAPHIEFLL-UHFFFAOYSA-N 441.984 4.082 10 20 IICD CN(C)CCc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 786428450 STUOISUSHVNOBO-UHFFFAOYSA-N 429.524 4.461 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc(O)n2)c(C)n1-c1ccc(OC(F)F)cc1 787546944 PFPBZBQCPKHZPH-CQSZACIVSA-N 430.407 4.224 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2cc(Cl)ccc2C1 790982616 VOLRKAXHBIYEDR-UHFFFAOYSA-N 448.953 4.106 10 20 IICD COc1ccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(O)c1 792795119 AZMWBRNMDUMVDY-UHFFFAOYSA-N 446.482 4.392 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 793405269 FOWACTFQXVNPNJ-UHFFFAOYSA-N 430.593 4.241 10 20 IICD COc1ccccc1-n1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C 798940527 KFNZKVOYYLMFSJ-JOCHJYFZSA-N 448.567 4.077 10 20 IICD O=C(NCC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1)C(F)(F)F 799140261 DNGZRSYWVBDCNV-UHFFFAOYSA-N 445.279 4.198 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 806847289 MXAXLRKXQSWAOS-UHFFFAOYSA-N 440.544 4.393 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807670796 INOYYEIWOKCWAJ-XHSDSOJGSA-N 435.490 4.257 10 20 IICD CC(C)CNC(=O)NC(=O)[C@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772920 IVCADMMTOVAKOR-WIJRQFRKSA-N 447.607 4.475 10 20 IICD CCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 913188924 JVFHEXBTTCLMSW-UHFFFAOYSA-N 446.389 4.235 10 20 IICD COCCOc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1 916691482 JXPJAEWJOBTCBF-ROUUACIJSA-N 445.535 4.095 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 916837050 HNOFSLOQIRNSBE-HXUWFJFHSA-N 429.630 4.243 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917067619 PHHITXCGDVMGFE-KZNAEPCWSA-N 447.982 4.402 10 20 IICD COc1ccc(N2CCCN(CC(=O)N[C@@H](c3ccc(C)cc3)c3cccs3)CC2)cc1 917089996 RWGFQRFEJYLYJQ-SANMLTNESA-N 449.620 4.483 10 20 IICD Cc1nc(-c2ncccn2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 917646012 WCTNFPVVBSPYDO-UHFFFAOYSA-N 433.537 4.410 10 20 IICD Cc1cc(C(=O)NCC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 918642452 BCBGBURGONROMB-UHFFFAOYSA-N 426.314 4.225 10 20 IICD O=S(=O)(Nc1ccccc1F)c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1 1117185803 ACCDOXUYJNUXPC-UHFFFAOYSA-N 441.509 4.227 10 20 IICD Cc1c(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 1319565592 ZBZYIHYPDXGTMW-OAHLLOKOSA-N 434.558 4.225 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(I)c2C)c1 1320223916 LQEYRHWANRGFQS-LLVKDONJSA-N 426.254 4.197 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)cc1 1320797626 FFQYNTOSPNXYPJ-UHFFFAOYSA-N 441.987 4.270 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(N2CCCCCC2)nc1 71928438 JUYOVSXXSGDXAO-UHFFFAOYSA-N 439.629 4.015 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)nc4onc(C)c34)CC2)cc1 105427224 KQFMAKTVFFOBHE-UHFFFAOYSA-N 442.519 4.478 10 20 IICD Cc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n2nc(C(F)(F)F)nc2n1 301464607 KWYRUKUPVHFFGP-GFCCVEGCSA-N 442.392 4.134 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)n(C)c2ccccc12 472803323 BFUYZPSGDPNVLS-UHFFFAOYSA-N 446.595 4.016 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3nc(-c4cccnc4)no3)C(C)C)ccc21 483583707 ZDTAHBWMDMYBDN-JOCHJYFZSA-N 447.539 4.477 10 20 IICD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCc1ccc(N2CCSCC2)cc1 726159273 BVHOXUQPKDLVDV-UHFFFAOYSA-N 448.548 4.285 10 20 IICD COc1cccc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1O 727761379 YLCFRDQGBNWPDE-UHFFFAOYSA-N 443.853 4.001 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSCC(=O)N(C)C1CCCCC1 728279545 JMEARHUTZDFRFQ-UHFFFAOYSA-N 431.646 4.160 10 20 IICD C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)NC(=O)C1CCCCC1 728839090 XPRLVTNLBOMVOE-MRXNPFEDSA-N 427.511 4.119 10 20 IICD CCc1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)nn1-c1c(Cl)cccc1Cl 728979181 RRWIUWAHVUCNSN-LLVKDONJSA-N 435.311 4.342 10 20 IICD CCN(C(C)=O)c1nc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cs1 731037253 YQJYZRLALJOKKD-UHFFFAOYSA-N 444.601 4.493 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)NCc1ccc(N(CC)CC)c(F)c1 731346030 PPXDTNSHRDUVDW-UHFFFAOYSA-N 441.576 4.224 10 20 IICD CC1CCN(c2ccc(CNc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])cc2)CC1 732044618 ZCVQKFBGUPANCW-UHFFFAOYSA-N 439.484 4.440 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CS(C)(=O)=O)c3C)c2C)cc1 735065112 GPVBUQAOYLGASA-UHFFFAOYSA-N 426.538 4.208 10 20 IICD Cc1cc(C(=O)COC(=O)COC2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 735361713 KETDUEDLZLKMIY-UHFFFAOYSA-N 439.430 4.034 10 20 IICD CCc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 736375142 HSIQLUNHMNHAHN-UHFFFAOYSA-N 435.490 4.146 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 742041005 HENXDWJKPGABTI-UHFFFAOYSA-N 433.508 4.375 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 743718141 IQCHGCMBROGPQX-RUZDIDTESA-N 442.515 4.143 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC2CCOCC2)cc1 743809538 YYBBCBWYAVMSEW-UHFFFAOYSA-N 434.330 4.375 10 20 IICD Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 748686876 VSSMRXBYBXAIBP-CQSZACIVSA-N 442.427 4.106 10 20 IICD Cc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c1 749405590 HDOAKCNUWHNCFZ-UHFFFAOYSA-N 433.527 4.451 10 20 IICD COc1cccc(-c2noc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)c1 754980760 DTELTUYYFBGBIH-UHFFFAOYSA-N 438.553 4.095 10 20 IICD O=C(Nc1cc(F)ccc1Br)C(=O)N(Cc1ccco1)Cc1ccccc1O 757830239 UBHJOCRWCNRSTK-UHFFFAOYSA-N 447.260 4.054 10 20 IICD CC(C)(C)OC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 759586034 XRKPAENOLPBWHK-INIZCTEOSA-N 425.520 4.246 10 20 IICD CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 760173079 VOLHJOLCCATGIL-GDBMZVCRSA-N 432.458 4.214 10 20 IICD Cc1ccc([C@@H]2NC(=O)N([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)cc1C 761634301 CAHJRVMZTXVVKW-ICSRJNTNSA-N 429.467 4.167 10 20 IICD OC1CCN(c2ccc(CNC3CCN(Cc4ccc(Cl)cc4)CC3)cc2F)CC1 765285785 GVEKDVCRNTZWCR-UHFFFAOYSA-N 431.983 4.194 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cncc(-c2ccc3c(c2)CCO3)c1 765766923 DULQPVRFDWBGIX-UHFFFAOYSA-N 425.282 4.082 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O 772118701 BQCGOXUJSZUQRU-GOSISDBHSA-N 448.285 4.315 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 772487490 HTOCYBKLURUSHL-AZUAARDMSA-N 432.609 4.462 10 20 IICD O=C(CNc1cccc(Oc2ccccc2)c1)NCc1ccc(N2CCOCC2)c(F)c1 772901702 KZIYMQFHOHDERK-UHFFFAOYSA-N 435.499 4.183 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@@H](N2CCCC2)CC1 775712557 QCEDSQJPAQCKGL-OAHLLOKOSA-N 432.200 4.368 10 20 IICD COc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(=O)C1CC1 776223291 VMXACICZOOEBED-GOSISDBHSA-N 446.494 4.371 10 20 IICD NC(=O)c1cccc(Oc2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cn2)c1 777516520 MALONQACFNLMGH-UHFFFAOYSA-N 447.495 4.483 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)C[C@@H](C)CC5)c2)CC1 781267866 DWDKMKPCAOUPDU-KRWDZBQOSA-N 430.552 4.214 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2sc3nc(COC)nc(OC)c3c2C)cc1 788138733 YZVNYNNQGIXDOR-UHFFFAOYSA-N 442.585 4.273 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1 792110607 JULCCJANCLWQKK-MRXNPFEDSA-N 448.539 4.460 10 20 IICD CSc1cc(O)ccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 792702176 PCZNENSMLPCUSZ-UHFFFAOYSA-N 439.452 4.332 10 20 IICD C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 793930220 JSGSSCKHDYFCOJ-NFBKMPQASA-N 449.595 4.005 10 20 IICD CC(=O)c1cc(Br)ccc1OCC(=O)NCc1ccc(N2CCCCC2)cc1 795766502 BAFNKHYOWXJHGB-UHFFFAOYSA-N 445.357 4.337 10 20 IICD CC[C@@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccc(F)cc1O 796848197 PMPQQNONZXOZDK-JOCHJYFZSA-N 434.577 4.334 10 20 IICD CCN(C(=O)Cc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1)c1ccccc1 797615763 DKHCAEUPLWCFFT-UHFFFAOYSA-N 433.508 4.318 10 20 IICD CNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800537213 OQKRGRJBLZBWNS-INIZCTEOSA-N 444.963 4.023 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccnn3C3CCCC3)cc2Cl)C1 800636113 FLEBFBVNCWOUMQ-MRXNPFEDSA-N 443.979 4.143 10 20 IICD CCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804330204 OOWRSYDKQKIOJU-FQEVSTJZSA-N 435.490 4.387 10 20 IICD COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(Cl)c(Cl)cc3O)C2=O)c(OC)c1 806170147 PAXITVJVWPXLKT-SGTLLEGYSA-N 439.339 4.168 10 20 IICD C[C@H](NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc(N(C)C)cc1 807673436 SUIKYDAIJSJVFI-BTYIYWSLSA-N 439.606 4.227 10 20 IICD CCC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 808921264 QCWFABIJLGUBIP-OAQYLSRUSA-N 442.462 4.450 10 20 IICD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc3ccccc3c2O)c1 816553144 KLECFDNWBRNPLS-UHFFFAOYSA-N 434.517 4.426 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 916668903 JOICPLZQOQJCBP-BETUJISGSA-N 436.871 4.323 10 20 IICD Cc1ccccc1OCCCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918080958 IHCNLTZTADHTOY-WOJBJXKFSA-N 443.563 4.358 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)cc1 918429780 OYEBXDGCQZMFJZ-UHFFFAOYSA-N 439.503 4.442 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)cc1 920811328 BIKFFXVWOJEBNY-DEOSSOPVSA-N 425.573 4.432 10 20 IICD CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc(C3CC3)nc21 920880527 DLXKUYSPDOPDAA-QGZVFWFLSA-N 433.556 4.217 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sc3cccc(F)c3c2C)cc1C 1116248483 LCBZCLALZISEFP-UHFFFAOYSA-N 442.559 4.220 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1F 1321438314 VKGSVKDJKKNTAY-UHFFFAOYSA-N 441.456 4.295 10 20 IICD CCCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCCC 117528300 RLMZPQOLPARSRH-UHFFFAOYSA-N 430.520 4.170 10 20 IICD Cc1c(CNC(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)n(C)c2ccccc12 472242670 VBEKRVVRRAOWIZ-HXUWFJFHSA-N 447.543 4.097 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1NC(=O)C(C)(C)C 472786535 HPQOLYLLUIUIAU-UHFFFAOYSA-N 434.540 4.035 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2ccccn2)c(C)n1-c1ccccc1Br 726165954 IQHQZLNXIKQUQQ-UHFFFAOYSA-N 441.329 4.010 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(F)c(Br)c3)SC2=S)cc1 726628586 ZDAGFDJIELOGSU-ZSOIEALJSA-N 437.315 4.093 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(C)c1 727244339 YGGFHGKRYGIURQ-UHFFFAOYSA-N 432.523 4.089 10 20 IICD C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 729047713 NNLAVUIPCJQBRX-SFHVURJKSA-N 428.527 4.153 10 20 IICD Cc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCC3)c(C)c1 730178165 OWNJJABCPPHQPL-HXUWFJFHSA-N 444.579 4.305 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1 737127642 VISGOASAIJBIAL-UHFFFAOYSA-N 448.592 4.475 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)cc1F 737166131 MJMNVXOHVOGQFZ-UHFFFAOYSA-N 445.894 4.157 10 20 IICD CSc1ccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 740649607 WMJVATCERYPYFX-BRWVUGGUSA-N 432.561 4.245 10 20 IICD O=C(NCCCOCc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743524706 ZWPFUXYBFHSGTQ-LJQANCHMSA-N 433.499 4.163 10 20 IICD CNC(=O)CC1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 746670116 LPGXNMJMTMQEAB-QGZVFWFLSA-N 447.526 4.115 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)cc1 747857350 SYWPZNPAHMGLSL-UHFFFAOYSA-N 428.602 4.007 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)ccc1OCC(F)(F)F 750896125 NRPATWKMMRBEFS-OVCLIPMQSA-N 426.441 4.437 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 756515642 NMEAHJISRTUDBL-KRWDZBQOSA-N 435.524 4.149 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 757633408 SBVURDKMUMECBT-NRFANRHFSA-N 439.531 4.033 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(N2CCOCC2)cc1 758981650 HCDZYYDGMWTFQA-SFHVURJKSA-N 449.595 4.298 10 20 IICD CCc1ccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 760746772 XCDGDIHWVZVLDF-QZTJIDSGSA-N 449.555 4.257 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccnc(Oc2ccc(F)cc2)c1 761208451 UYNFPRXADVQFSH-UHFFFAOYSA-N 441.846 4.336 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)Nc1nnc(-c2ccco2)o1 762624596 PNWFSVAMPVHVFJ-UHFFFAOYSA-N 449.414 4.486 10 20 IICD C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CCN(C(=O)OC(C)(C)C)CC1 765714079 CEJIXYWLIQULJB-QGZVFWFLSA-N 431.577 4.151 10 20 IICD COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 766417733 VCCQGMIUTWOJDA-UHFFFAOYSA-N 448.494 4.046 10 20 IICD CCS(=O)(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C 770528209 ODOPOKOKDPKPHW-UHFFFAOYSA-N 432.546 4.267 10 20 IICD O=C(Nc1cc(F)cc(Cl)c1O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 771505423 OURIJWKLDXYURK-UHFFFAOYSA-N 442.877 4.005 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 773660041 OAEVEXNWCAHZFV-UHFFFAOYSA-N 431.330 4.021 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 775924470 LUYOQQJXXPEAOC-UHFFFAOYSA-N 442.466 4.337 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 777741691 UWSIWWMNKCQITH-VXKWHMMOSA-N 443.538 4.149 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(Br)cn1C(C)C 777829545 ZRNDZHVLEJSANU-UHFFFAOYSA-N 443.725 4.006 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N)cc1 783484527 FBVPVBQXLAHNNQ-KOSHJBKYSA-N 445.519 4.169 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc(N)cc1 783484601 FOXSJQCDNZVLGG-PGRDOPGGSA-N 445.519 4.169 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 785429235 XPPJGOAESQWSDT-RTWAWAEBSA-N 447.501 4.182 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(F)c(F)c3)cc2Cl)C1 800636250 IBPLLSFEOVMHBP-GFCCVEGCSA-N 439.865 4.249 10 20 IICD C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1cc(Br)c(F)cc1O 802317448 PZJJVAALJXSSCE-JDNHERCYSA-N 433.115 4.441 10 20 IICD CCN(C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H](C)c1cc2ccccc2o1 803300700 KFZPXZNXZRDBGL-RTBURBONSA-N 449.551 4.056 10 20 IICD COC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCC(c2ccccc2)CC1 804976465 YKGKWSGQLRCCHB-UHFFFAOYSA-N 437.584 4.065 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)oc1C 814280680 INSFVNGZFXUHIN-ZSOIEALJSA-N 425.434 4.382 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3nn(C)cc3Br)cc2Cl)C1 816575608 SMTHWYQHZZYGLW-LBPRGKRZSA-N 425.758 4.002 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1OCc1cn2ccccc2n1 915081262 PRAAZSXATXDDRJ-UHFFFAOYSA-N 426.520 4.444 10 20 IICD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Oc2ccccc2)c(F)c1 919819691 XLTKSYKMPJEJCR-AWEZNQCLSA-N 444.484 4.186 10 20 IICD COc1ccc2cc([C@H](C)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2c1 919971159 SBHDPQNLZWGJQK-KRWDZBQOSA-N 436.527 4.369 10 20 IICD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 921295493 PATGOVWFFQZFIE-UHFFFAOYSA-N 433.486 4.445 10 20 IICD Cc1cc(CCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C)n1-c1ccccc1 1118972263 AGKGPBHKBVBAJQ-XMMPIXPASA-N 431.536 4.184 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(F)cc3OC(F)F)CC2)cc1 1319661321 BFNLQTVESACZJF-AWEZNQCLSA-N 437.462 4.465 10 20 IICD CNC(=O)Cc1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1321238851 FQVJNLJOQOMNRJ-INIZCTEOSA-N 428.964 4.187 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCCCO1 1346328096 QFWXKVIAMYFXSR-LJQANCHMSA-N 426.948 4.433 10 20 IICD CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780988203 RCIZYRCGPMUENM-ZEQKJWHPSA-N 437.584 4.022 10 20 IICD Cc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(Cl)c1 10878512 PCSKLZAXVGCFNK-UHFFFAOYSA-N 433.847 4.219 10 20 IICD COc1ccc(C(=O)Nc2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)s2)cc1 466243040 GKELJYRXWIBKPR-UHFFFAOYSA-N 437.521 4.114 10 20 IICD CCc1c(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)nnn1Cc1ccc(F)cc1 573844812 CLWFTWCBBSLDTA-UHFFFAOYSA-N 449.530 4.498 10 20 IICD O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 725887561 QWNBPLYZGQNSDT-UHFFFAOYSA-N 425.331 4.343 10 20 IICD CNC(=O)c1cc(OC)ccc1NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 726513252 XLBIHHHRDASMTE-UHFFFAOYSA-N 425.916 4.297 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4Cl)c3)SC2=S)cn1 726986876 ZMONLYPCZPAMMP-CAOOACKPSA-N 442.953 4.394 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 727176424 KNNGHQUWAIOXOD-RIYZIHGNSA-N 431.396 4.377 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)ccc21 728636875 DKCLEWPMBSNYFM-UHFFFAOYSA-N 448.972 4.435 10 20 IICD C[C@@H](NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 729603418 VDHNWOXRHGHJEN-NLFFAJNJSA-N 430.552 4.201 10 20 IICD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 730899345 CPGTUIUABLHGLS-WOJBJXKFSA-N 444.503 4.302 10 20 IICD CCN1CCN(c2ccc(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2)CC1 731106590 ZBSOXJCQAODOKL-UHFFFAOYSA-N 435.616 4.387 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)COCc1ccccc1F 731106992 MENIZQVITRRNAA-OAQYLSRUSA-N 444.547 4.181 10 20 IICD COc1ccc(O)c(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 734017628 RXKVHHJBQNCSTQ-UHFFFAOYSA-N 443.853 4.001 10 20 IICD CCOc1cc(CCCNC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1OC 736376613 USJZZPZPIIFYTF-UHFFFAOYSA-N 443.613 4.079 10 20 IICD CC(C)CCn1cccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 738429720 DIZSNMDYJWIVAG-UHFFFAOYSA-N 436.579 4.080 10 20 IICD CS(=O)(=O)c1cccc(OCCOC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 738587974 RAXPYNPVAOOTGE-UHFFFAOYSA-N 440.477 4.447 10 20 IICD O=C(CSc1nc2ccccc2o1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742797769 GEJQURHENVQRQQ-CQSZACIVSA-N 433.480 4.307 10 20 IICD Cc1cccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2)c1 743046697 KXSYGTPKWLXZPD-UHFFFAOYSA-N 426.523 4.445 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743097594 LEWFGDFQQFTREH-QGZVFWFLSA-N 432.471 4.345 10 20 IICD C[C@@H](c1ccccn1)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 743655530 STDOXXABEGDEQF-ZSRMJVKVSA-N 431.608 4.344 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 746366439 WIANYPGIVFGNKH-UHFFFAOYSA-N 445.629 4.021 10 20 IICD Cc1ccc(C[C@H]2CCCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 747979444 GSYNLLPDRHWAIH-JOCHJYFZSA-N 439.575 4.260 10 20 IICD CC(C)Cn1cnc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 748636483 LRQXRWKLYBBVHL-UHFFFAOYSA-N 428.486 4.065 10 20 IICD COC(=O)c1cc2c(/C=C3/SC(=S)N(CCCSC)C3=O)ccc(OC)c2o1 749017460 UHMQASVVHQHEEO-OQLLNIDSSA-N 437.564 4.182 10 20 IICD COC(=O)c1cc(C(C)C)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 752714169 IANQDTSJFHLFCE-UHFFFAOYSA-N 425.529 4.097 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NC2CCN(Cc3ccc(Br)cc3)CC2)c1 756657261 BXHRHWJWLKVSIG-OAHLLOKOSA-N 447.373 4.257 10 20 IICD C[C@@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(Br)cc(F)c1O 757613893 VIMGSEXALHAGJR-GFCCVEGCSA-N 436.325 4.169 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1F 758710013 LTAFVBFJWBVDNS-JTSKRJEESA-N 444.526 4.007 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncc(Br)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 761884823 XHNYKBWAMNPYBG-TXEJJXNPSA-N 439.285 4.117 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2F)C[C@@H](C)O1 764353652 ISJQWVOVMWCWJS-KNKQGSTJSA-N 440.563 4.225 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)cc2F)CC1 765851362 DJNXEOFOHPZJGM-SFHVURJKSA-N 439.579 4.102 10 20 IICD Cc1c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cnn1C1CCCC1 768748934 CUVLJLDBQXAHOQ-UHFFFAOYSA-N 446.554 4.127 10 20 IICD COc1ccc(O)c(CNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1 771020731 MTKSIZUXRYDHCS-UHFFFAOYSA-N 434.521 4.109 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)c1ccc(N(C)C)cc1 773857834 ODLKKHWHVKSHGT-KRWDZBQOSA-N 433.556 4.187 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(N(C)C)cc1 773858910 RRMKAVWZEGCFRN-HNNXBMFYSA-N 438.915 4.409 10 20 IICD Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc(Cl)n1 778938605 WHNCFLUTQQTQJD-SFHVURJKSA-N 432.952 4.105 10 20 IICD COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cccc(Cl)c3O)c2C)c1 779612932 KYKFBEQHHDJLNR-NRFANRHFSA-N 427.932 4.430 10 20 IICD Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 784109657 WVGPABLCTKCCMR-IPJJNNNSSA-N 435.572 4.297 10 20 IICD COc1ccc2ccccc2c1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 787015393 GMKCHVPCCAUUJZ-UHFFFAOYSA-N 445.563 4.017 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1 787419215 WGKUABLZDFKGCW-JSGCOSHPSA-N 429.464 4.319 10 20 IICD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788935240 CJNQHTGEOXECAI-HXUWFJFHSA-N 433.474 4.021 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1F 792159819 UNSSAHXIOZWIAG-UHFFFAOYSA-N 430.524 4.273 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 793167423 LSXCFQTVNRJZMN-DHIUTWEWSA-N 444.535 4.207 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)o1 796675619 PILMPZHOXKAXGA-OAQYLSRUSA-N 448.519 4.415 10 20 IICD COc1cc(Br)c(/C=C2/SC(=S)N(CCCSC)C2=O)cc1OC 799201015 SSAZMQXLECCFPC-RIYZIHGNSA-N 448.429 4.421 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 807505184 IBVIMMUPZPWYSR-GMAHTHKFSA-N 437.559 4.227 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 807837205 GSLFBLFFPCEWPS-UHFFFAOYSA-N 434.201 4.247 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1 812672367 CRAOBWRQTRQHPY-RUZDIDTESA-N 433.552 4.474 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 813804218 UQGFIUCOOIJZFX-NRFANRHFSA-N 444.620 4.464 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc4c3OCCO4)SC2=S)cc1 917643379 ZBAJHLOHDOTUQG-ATVHPVEESA-N 427.503 4.040 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc4cccnc34)n2)cc1 917845889 KZXXOKWDPWEGBP-UHFFFAOYSA-N 438.534 4.426 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1OC 918207824 JSWIVWZUKQIXNH-FIKGOQFSSA-N 429.536 4.398 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c(C)n1-c1ccccn1 919076948 OITKOLZAMAUJLA-OAHLLOKOSA-N 427.451 4.144 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 919654973 NGTTYOKVICMSOV-DEOSSOPVSA-N 438.547 4.499 10 20 IICD Cc1csc([C@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)n1 1323792294 LXTBNBMLYVVSHF-LHSJRXKWSA-N 445.544 4.295 10 20 IICD C[C@@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)cc(Cl)c1O 1323829368 JORMYTPJEFQPJS-CQSZACIVSA-N 438.797 4.411 10 20 IICD COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n2)cc1 10309235 OHSADBGRPXXXBF-UHFFFAOYSA-N 434.540 4.327 10 20 IICD CC(C)c1n[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1Br 111215444 YQMGTZIFDRFEHI-QGZVFWFLSA-N 449.393 4.183 10 20 IICD CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 303029920 NUNQSAIWLIRFKG-KRWDZBQOSA-N 446.389 4.235 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 437010348 PIVCHJMYWOJTDP-UHFFFAOYSA-N 425.492 4.040 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H]3CCN(Cc4ccccc4)C3)ccc21 464970033 BJGBYCFCRMTOHG-HSZRJFAPSA-N 433.596 4.499 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726271507 UWWMQNUWYWHXKZ-AZUAARDMSA-N 444.620 4.462 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C2CC2)cc1 727128237 RQLINMQXJUCVBZ-QHCPKHFHSA-N 437.584 4.380 10 20 IICD Fc1cc(CNC[C@@H](c2c(F)cccc2Cl)N2CCCC2)ccc1N1CCOCC1 727466170 XTELQBURVPSRIA-QFIPXVFZSA-N 435.946 4.382 10 20 IICD COc1cccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1O 729858797 CDHIZPOHXXEVKJ-UHFFFAOYSA-N 431.467 4.252 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1cccs1)N(C)C 742714416 JYZCZBFAEMBYEZ-OAHLLOKOSA-N 426.380 4.051 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCN1Cc1ccccc1 742798556 PMFCIWNOFFMEAK-DENIHFKCSA-N 429.511 4.038 10 20 IICD COc1ccccc1OCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743593308 QFSYGJSCFPDCFH-QGZVFWFLSA-N 449.498 4.034 10 20 IICD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1c(O)ccc2c1CCCC2 743718983 PPZMBYOUBQHLMW-SPRBNPHMSA-N 438.612 4.244 10 20 IICD O=C(NCCc1c[nH]c2ccc(Cl)cc12)N(Cc1ccccc1O)C[C@H]1CCCO1 745888470 NSXOIZODVPFGFS-LJQANCHMSA-N 427.932 4.460 10 20 IICD CCS[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 748805881 HUZYKPHZCFDMOD-KBPBESRZSA-N 438.505 4.164 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1 752003552 AVCLILMWOKQBNM-UHFFFAOYSA-N 429.923 4.315 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(N2CCOCC2)cc1 755617738 PGKYHBMXFLAGRP-LJQANCHMSA-N 441.547 4.114 10 20 IICD COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(Br)cc2O)c2nccn2C)c1 756390820 JEJGSOUGYBSZTD-RBZFPXEDSA-N 446.345 4.346 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)c(F)cc1I 760381932 KMCJAPFCXBSYRD-UHFFFAOYSA-N 428.220 4.422 10 20 IICD C[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCCC2)cc1 765329949 JIZZIIBFAJMVSL-CVDCTZTESA-N 437.584 4.042 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 765659609 OAAKBVMYQRDRNB-OAQYLSRUSA-N 431.483 4.171 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC1(CS(C)(=O)=O)CC1 767196534 CBKUZVVIZDOTGF-UHFFFAOYSA-N 429.405 4.249 10 20 IICD COc1cc(Br)cc(CN(C)[C@@H](c2cccc(F)c2)c2cnn(C)c2)c1O 769234561 VICULBKGKUTKAE-IBGZPJMESA-N 434.309 4.257 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c1 769985506 IPQNMCRDHBOVHT-UHFFFAOYSA-N 434.420 4.087 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCC(=O)N4C)SC2=S)cc1F 773902623 YUWKHFOTSYMYGF-ZDLGFXPLSA-N 428.510 4.149 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(Cl)cc2I)c1 774499697 YCHVOCDSFJTUKV-SNVBAGLBSA-N 445.684 4.288 10 20 IICD CCN(CC)c1ccc(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 775493876 VYBNXMUJLPXBEH-LJQANCHMSA-N 437.403 4.304 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](c3cccc(F)c3)c3cnn(C)c3)cc2F)C[C@@H](C)O1 779020225 KLEJEAUXSHDDQO-XVTZWQNCSA-N 426.511 4.191 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2OC(F)F)cc1 782425025 NJEHKMVWMMCEMD-UHFFFAOYSA-N 443.450 4.115 10 20 IICD COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1C 789726521 IVBIIJMEPHCEHF-UHFFFAOYSA-N 447.369 4.335 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 789855490 OQJLBRKFYOGKJI-RXERPNITSA-N 439.309 4.369 10 20 IICD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(C2CCC2)cc1 790488194 MHAAVNMGBIBXJW-UHFFFAOYSA-N 445.542 4.140 10 20 IICD CC(C)Cn1c(-c2ccco2)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S 798183890 OPYHQOQQYACZRR-UHFFFAOYSA-N 441.601 4.256 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Br 798428093 LNXOXXQLIFPCJP-UHFFFAOYSA-N 429.767 4.181 10 20 IICD C[C@@H]1CCCN(c2ccc(CNc3cnn(C)c(=O)c3Br)cc2Cl)C1 799962925 GCZSDGRZCASDRT-GFCCVEGCSA-N 425.758 4.045 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3csc(N4CCCC4=O)n3)cc2Cl)C1 800050280 RNCGEKQNXUOTFW-OAHLLOKOSA-N 447.004 4.019 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1C 800635190 UXFLFYIIBVNKHB-UHFFFAOYSA-N 430.508 4.410 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)c(C)cc1OC 802609621 GZGYRPBXBCQLGQ-UHFFFAOYSA-N 449.345 4.239 10 20 IICD Cc1cc(C(=O)NCc2cnc3n2CCCC3)c(C)n1-c1cccc(Br)c1 803702373 LXQXEHYWSYZMTG-UHFFFAOYSA-N 427.346 4.319 10 20 IICD CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCCc1ccc(O)c(O)c1 807107445 ZCQORZXOADTKSV-HXUWFJFHSA-N 428.529 4.049 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 807357000 JEEYSDVAFLDCIA-FQEVSTJZSA-N 434.418 4.346 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 807506351 VOZYQSYJEOLCRW-IRLDBZIGSA-N 425.548 4.081 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCO1 812435481 KWAZSIBVOLSTGX-FQEVSTJZSA-N 431.540 4.261 10 20 IICD Cc1cc(Br)cc(CN[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1O 814172325 IPFTZERQSFPFND-MRXNPFEDSA-N 425.367 4.342 10 20 IICD COCc1ccccc1/C=C(/C)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 816569508 OCEROYWMEVNEHL-RGEXLXHISA-N 426.557 4.084 10 20 IICD CC(C)(C)c1csc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1 821933728 AHKWBERRTGQPHH-UHFFFAOYSA-N 435.461 4.377 10 20 IICD O=C(COC(=O)c1ccc(-n2cccn2)nc1)Nc1ccc(N=Nc2ccccc2)cc1 825821091 GUQIRILHVLMGBW-UHFFFAOYSA-N 426.436 4.478 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC1CCCCC1 913962116 DOXKHNBTQQGIDI-GDNBJRDFSA-N 439.400 4.099 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c(F)c1 914789848 ZSUKGWBEEUKPKU-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccnc(Oc2ccccc2)c1 916403589 JTJVMNULJLXHJU-UHFFFAOYSA-N 432.524 4.052 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccc(F)cc1 917714807 OVITUITWPZDAKM-IYBDPMFKSA-N 440.494 4.003 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 917822178 KYOUXUPRICWYIS-UHFFFAOYSA-N 439.556 4.324 10 20 IICD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220670 IWOXQHNFGUXZLU-INIZCTEOSA-N 425.504 4.436 10 20 IICD CCN(Cc1ccccc1)C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 920051823 UJMGAMGUAGJZLS-UHFFFAOYSA-N 448.567 4.106 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)c2C)c1 920749251 LGWWCJMIITUWOE-XMMPIXPASA-N 445.563 4.241 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CCc2c(ncn2-c2ccccc2)C1 929082861 VZHZXUZUTPYACU-UHFFFAOYSA-N 435.491 4.172 10 20 IICD CCOC(=O)CN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccc(F)cn1 1252308221 CVXKRNBPUUUEOH-UHFFFAOYSA-N 429.879 4.492 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)c(F)cc1F 1330963281 NTYCSAFPSDHPKE-UHFFFAOYSA-N 435.477 4.082 10 20 IICD CC1(C)CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)C1 1821295090 AXDRSUMGHBJFQC-INIZCTEOSA-N 446.935 4.216 10 20 IICD CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1841406796 DPERSULIKJYYSU-FQEVSTJZSA-N 442.943 4.008 10 20 IICD O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccc(O)c(O)c1 10441272 VUYKDOUJUNOPNO-UHFFFAOYSA-N 440.427 4.050 10 20 IICD Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 11445018 GHUVDYFWBBXMEI-UHFFFAOYSA-N 443.805 4.380 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 13186948 SKYMTYMYMVQSNS-PDGQHHTCSA-N 447.557 4.474 10 20 IICD CN(C)S(=O)(=O)c1ccc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)o1 109625334 NXPBFTDLXIKZSE-UHFFFAOYSA-N 445.488 4.248 10 20 IICD O=C(Nc1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1)C1=S=CC=C1 517630144 DGVNFPZNQBNIJE-UHFFFAOYSA-N 431.521 4.005 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1 726715626 SDTJGQRWHOMTFX-UHFFFAOYSA-N 449.498 4.116 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1 726726894 WYRIBEQBROIGES-UHFFFAOYSA-N 443.547 4.010 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 727392690 WXUONLZJRRHGNO-HNNXBMFYSA-N 445.972 4.147 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N[C@@H](c3ccccc3)C3CC3)ccc21 728638104 IJIVUVTUYJBYBY-VWLOTQADSA-N 434.536 4.329 10 20 IICD CCOC(=O)c1c(NC(=O)CN(CC)Cc2cnn(C)c2)sc(C)c1-c1ccccc1 728925633 JZPMJBZIVWFRSW-UHFFFAOYSA-N 440.569 4.094 10 20 IICD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 739599531 SQDXHOUBMBKUMF-SFHVURJKSA-N 429.586 4.252 10 20 IICD CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 739603099 QVUYFURAIRIJOP-UHFFFAOYSA-N 429.586 4.206 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2cccs2)CCCCC1 740030308 GBHAMCAQKHDPQW-UHFFFAOYSA-N 431.577 4.425 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 741412777 OMRAMAVSDIWDAW-UHFFFAOYSA-N 430.512 4.043 10 20 IICD CN(c1ccc(CNC(=O)CS(=O)(=O)CCCc2ccccc2)cc1)C1CCCCC1 742416427 XJPHJCVJYNHLHZ-UHFFFAOYSA-N 442.625 4.119 10 20 IICD CC(C)c1nn(C)c2sc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc12 742556872 MOBKGAUDCVAGIP-HUUCEWRRSA-N 444.576 4.441 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1C(F)(F)F 743222500 IMLUGGYADZBOJL-MRXNPFEDSA-N 434.462 4.037 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)cc1 743228663 BOZRVWCFRJHEQP-UHFFFAOYSA-N 426.517 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCc3ccn(-c4ccc(F)cc4)n3)cc2)CC1 743599049 BVWSBAPBILVWHP-UHFFFAOYSA-N 435.547 4.290 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nc(-c2ccsc2)no1 743808830 GLCWJQSILHTAGY-UHFFFAOYSA-N 436.331 4.248 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2CC(F)(F)F)cc1F 743905913 OEYLCZOPJGMTGU-UHFFFAOYSA-N 425.426 4.032 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 743913384 HQEQCKHFBCLJKX-UHFFFAOYSA-N 438.915 4.157 10 20 IICD Cc1ccc([C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 745661583 JVXHNJXIDFVUOR-CABCVRRESA-N 431.444 4.037 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(O[C@H]4CCOC4)CC3)c2C)c1 748832318 HYHKVEWHCLJSSV-NRFANRHFSA-N 428.598 4.269 10 20 IICD CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 749551168 CSWADNYAVIUMCC-UHFFFAOYSA-N 430.593 4.264 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc2)CC1 759421406 YTOMHTDGZMKUAZ-NRFANRHFSA-N 435.490 4.475 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 761967370 MDNAGXPTQCVPPZ-HXOBKFHXSA-N 434.492 4.246 10 20 IICD CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1cccc(Br)c1O)c1ccccc1 765727512 BTUBWPMSFBNNGG-KRWDZBQOSA-N 449.345 4.427 10 20 IICD Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768917303 XEABAJPNILMSCD-LJQANCHMSA-N 425.916 4.403 10 20 IICD COc1ccc(C(C)(C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC 771059384 PWWZOSIMHRWEHT-LJQANCHMSA-N 446.975 4.121 10 20 IICD C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(N(C)C)cc1 773988152 JBNUEDMAOZGACT-KRWDZBQOSA-N 427.504 4.040 10 20 IICD Cc1cc(Br)cc([C@H](C)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1O 779002817 HRAUBBHPLMDMIV-HNNXBMFYSA-N 447.373 4.014 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc1 779149447 MYCCGCKHQLZRDM-UHFFFAOYSA-N 441.572 4.271 10 20 IICD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 781375013 GQQZTNYYGJEKLC-JOCHJYFZSA-N 425.577 4.079 10 20 IICD Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(-n2cc(Cl)cn2)n1 786938610 CNFWTGUSFJWBEY-INIZCTEOSA-N 429.927 4.056 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](CC(C)(C)C)c3ccccc3)CC2)cc1 788234549 MWQRZBJIJBTMLG-HSZRJFAPSA-N 437.584 4.074 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 792884730 ZRIKMFJTKNWFIE-QUCCMNQESA-N 429.511 4.061 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 792968795 MSDJIZMYTFXGRK-UHFFFAOYSA-N 449.938 4.099 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cc(Br)cc(F)c1O 797039774 AYZMZFAGBMWGQF-SNVBAGLBSA-N 432.311 4.020 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]1c1ccccc1Br 797576141 UFCAGEZENBGUDR-SWLSCSKDSA-N 440.135 4.273 10 20 IICD Cn1nccc1[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 800796727 LWYZTMJGSFOFRN-JPYJTQIMSA-N 442.523 4.347 10 20 IICD Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 801719187 GNZGENOXEGDCBI-UHFFFAOYSA-N 445.489 4.029 10 20 IICD Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1C1CCCCC1 810350993 CBTNFJPEONMTHF-UHFFFAOYSA-N 437.588 4.284 10 20 IICD COCC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CCOCC1 811431655 QYWSICISJGLPOG-UHFFFAOYSA-N 437.895 4.056 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccs1 812358103 JEBYBXWLOLGVNI-UHFFFAOYSA-N 434.521 4.168 10 20 IICD COC(=O)Cc1occ(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 813447892 KBITXVDLPVYSOM-UHFFFAOYSA-N 436.508 4.225 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1[N+](=O)[O-] 815835639 ZVIWMESOTKWAME-QGZVFWFLSA-N 431.920 4.012 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)cc1 906476723 XMZFGQQYRKIIFB-UHFFFAOYSA-N 443.550 4.398 10 20 IICD O=C1OC(C2=S=CC=C2)=N/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 912755884 LCZSSXWUNVEYNW-NTEUORMPSA-N 445.250 4.191 10 20 IICD Cc1cccc(-n2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2C)c1 917715362 PTFPXGWJSWQCBN-HDICACEKSA-N 436.531 4.172 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920179757 AOMRXPYPHJVMBE-UHFFFAOYSA-N 448.590 4.078 10 20 IICD CCCCOc1ncccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 920418282 GZRPBRQPTWXAMN-HDICACEKSA-N 444.551 4.013 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1c(Cl)ccc2nonc12 1117507429 LCYRQBPEPIMPSL-LLVKDONJSA-N 439.946 4.179 10 20 IICD COc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCCC(=O)O 210449663 VXZCLJRTGIIOAV-UNOMPAQXSA-N 426.494 4.248 10 20 IICD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)n(C)c2ccccc12 437004458 UEHVHOYTEJLALI-QHCPKHFHSA-N 441.531 4.267 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3NC(=O)c3cccs3)CC2)cc1 726561294 KSUGJTLYRSZPFT-UHFFFAOYSA-N 435.549 4.408 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731044109 NFBDDRINBOWDLC-QHCPKHFHSA-N 443.588 4.034 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1 731058960 JCLBSGRNKPRPEW-UHFFFAOYSA-N 443.594 4.296 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 737118114 RBOWEWZYDHKXGW-UHFFFAOYSA-N 432.524 4.317 10 20 IICD CCc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(O)c(C(C)(C)C)c1 740862329 WUIKVICWABUERG-UHFFFAOYSA-N 425.529 4.118 10 20 IICD CCOc1ccc(C2(CNC(=O)NCc3ccc(N4CC=CC4)cc3)CCOCC2)cc1 740910018 SXCHEEKHBUZCNK-UHFFFAOYSA-N 435.568 4.009 10 20 IICD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 741672860 VSLMQWSCKDCFST-UHFFFAOYSA-N 439.625 4.288 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 745510292 FKOGZAFEOYKNKY-IAGOWNOFSA-N 440.426 4.444 10 20 IICD Cc1cc(C(=O)[C@H](C)N(CCO)Cc2cccnc2)c(C)n1-c1ccc(OC(F)F)cc1 747661585 YLPXPCTZEOXEGH-SFHVURJKSA-N 443.494 4.156 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])c1Br 749443040 VPCBBLUFBYDBJK-UHFFFAOYSA-N 444.282 4.202 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 753558630 RYXBTGJWMNOEGW-UHFFFAOYSA-N 436.585 4.401 10 20 IICD COc1cc(Br)c(NC(=O)NCCCSc2nccs2)cc1OC 753944417 WQWOECRJGONJGS-UHFFFAOYSA-N 432.365 4.227 10 20 IICD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 758161473 GEASGSARANOVSB-UHFFFAOYSA-N 444.214 4.305 10 20 IICD COc1cc(N2CCN(Cc3cc(Cl)cc4cccnc34)CC2)cc(OC)c1OC 759876675 BARKFVMMIXZKFA-UHFFFAOYSA-N 427.932 4.236 10 20 IICD Cc1cccc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)n1 761776922 UIUPYWCRNGWJHJ-RVDMUPIBSA-N 428.564 4.336 10 20 IICD C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(N2CCOCC2)c1 766237068 HMSVODXGIHGMHJ-AZUAARDMSA-N 431.527 4.444 10 20 IICD O=C(CC1CCCC1)N1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 768252075 VURXBBKJUOQRPS-UHFFFAOYSA-N 428.577 4.200 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc(-c2ncccc2F)n1 768469761 DVNFKJXSOXMUEP-HNNXBMFYSA-N 446.935 4.098 10 20 IICD Cc1noc(CCC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 769980731 UMXRKRJFJXGKKS-AWEZNQCLSA-N 447.438 4.134 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3cncnc3)cc2F)cc1 775823812 KFSUJNYYFJQTBH-QFIPXVFZSA-N 434.515 4.170 10 20 IICD Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)ccc1O 776747662 JHBITHNEVZDMQF-UHFFFAOYSA-N 426.210 4.163 10 20 IICD CC(C)N1CCN(c2cccc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)c2)CC1 777285634 CXEPVBJDBOQBNL-FQEVSTJZSA-N 426.580 4.366 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(N)cc1 783487697 YLJMRTLGMZEGRP-GOSISDBHSA-N 442.519 4.129 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1Cl 785192399 LLTBAFGRMPPCQH-UHFFFAOYSA-N 446.128 4.449 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 787586878 OLQACMUOFMIYNP-UHFFFAOYSA-N 447.455 4.009 10 20 IICD COc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(O)c1 790920416 JUTYWAHOLPWBPH-FQEVSTJZSA-N 438.446 4.387 10 20 IICD Cc1ccc([C@@H](NC(=O)NCc2cccc(Br)c2O)c2ccccn2)cc1 792300650 UOQBGOAZUVVCSQ-LJQANCHMSA-N 426.314 4.447 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 806708280 HLFRTJKGTYLJTC-UHFFFAOYSA-N 444.526 4.456 10 20 IICD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 810393577 QAMRCBQPQKEFQF-INIZCTEOSA-N 432.480 4.472 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Br)c1 812476913 CCROANBPTNPIDH-MRXNPFEDSA-N 431.374 4.078 10 20 IICD Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(Br)s1 813399973 UASZPEYVBKQMTG-UHFFFAOYSA-N 436.297 4.485 10 20 IICD Cc1ccc(Br)c(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 815730877 SSRNYLHSSUXLKI-UHFFFAOYSA-N 435.337 4.096 10 20 IICD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 841237057 HRUXQYRVUYGEAA-UHFFFAOYSA-N 446.511 4.314 10 20 IICD C[C@H]1CN(S(=O)(=O)c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)C[C@@H](C)O1 863991259 UBCCGIBYQZKGAV-BGYRXZFFSA-N 443.613 4.087 10 20 IICD COc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc(OC)c1 914070201 VMOSLPFYEPHYNI-SFQUDFHCSA-N 448.591 4.385 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccc(Br)cc1 914504249 YKELPPUFAMZFOJ-UHFFFAOYSA-N 446.389 4.187 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 914578291 SEIZHBDYTNBPFU-UHFFFAOYSA-N 430.551 4.125 10 20 IICD CCN(C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nc2ccccc2s1 914613016 FLRZCHCXCCQGOJ-UHFFFAOYSA-N 434.521 4.309 10 20 IICD C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916509917 ZSCROCILTFACEX-CQSZACIVSA-N 427.492 4.034 10 20 IICD Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920871005 VPRXBMODVAZCHT-IRXDYDNUSA-N 446.389 4.272 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H]1C[C@H](C)c3c(C)ccc(O)c31)CC2 1254730861 YMPWWRZFKMSSTM-FXAWDEMLSA-N 438.568 4.221 10 20 IICD OC1CCN(c2ccc(CNCc3ccc(OC(F)F)cc3OC(F)F)cc2F)CC1 1318418410 CTKDUKHPGRQHCX-UHFFFAOYSA-N 446.416 4.279 10 20 IICD C[C@@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(N2CCOCC2)cc1 1320162998 KAOLFNPYSHKAEX-GOSISDBHSA-N 434.540 4.315 10 20 IICD COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCCc2ccc(O)c(O)c2)c1 98076932 CIZKVEUPMBLVLJ-UHFFFAOYSA-N 443.503 4.240 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)[C@H](C)c3cccc(OC)c3)cc2F)CC1 303355405 ZJOBLFYDAPKSPQ-LJQANCHMSA-N 442.579 4.269 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 437028036 WFMOGXJEKBGZTM-UHFFFAOYSA-N 443.547 4.184 10 20 IICD COc1cccc2[nH]cc(Cc3noc(-c4ccc(NC(=O)C5=S=CC=C5)cc4)n3)c12 547160908 UPTWJLJXXBIRKT-UHFFFAOYSA-N 430.489 4.033 10 20 IICD O=[N+]([O-])c1cc(CNC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)ccc1N1CCCCC1 725847792 IFBQQVSIZHHLLB-SFHVURJKSA-N 430.499 4.479 10 20 IICD C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567889 RQQMNMJTJFPKPK-MRXNPFEDSA-N 430.495 4.329 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)cc4c3O[C@@H](C)C4)SC2=S)cc1 727860960 LBNYJSUDRMAOGZ-ZXOFLVKFSA-N 441.574 4.471 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2F)C[C@@H](C)O1 728597804 SVXISRBHCDYNKS-CEYNDMKZSA-N 448.542 4.423 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 728837643 VYFHVYJFKVFKAP-UHFFFAOYSA-N 447.417 4.051 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3Br)cc2F)CC1 730133172 KEZXHYVMEQWFHE-UHFFFAOYSA-N 435.341 4.052 10 20 IICD CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 730751117 VZEUSUXPMUPRPB-FQEVSTJZSA-N 448.567 4.235 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1F 731408210 FSYXQAGNBVYYBU-UHFFFAOYSA-N 440.544 4.359 10 20 IICD CN1CCCc2cc(CNC(=O)CCC[S@](=O)c3ccc(Br)cc3)ccc21 732278971 HFGPLUVSKHDAFS-MHZLTWQESA-N 449.414 4.036 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)c1 734072547 GGHMCQDBHDDKHE-UHFFFAOYSA-N 442.924 4.460 10 20 IICD O=C(N[C@H](CN1CCCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 734280766 PVRQOTNMGLNEHC-DNQXCXABSA-N 437.584 4.310 10 20 IICD CC(C)Oc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 735752898 IFLBKAJXTWROFH-KRWDZBQOSA-N 444.963 4.151 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 740812765 ACGUFWWVTXIWBV-UHFFFAOYSA-N 440.587 4.125 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(CNC(=O)C=C(C)C)cc1 743808866 HWXRTNNKIGCVKB-UHFFFAOYSA-N 445.357 4.399 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Br)c(F)c3)cc2)CC1 743906945 YIHHOVKFNIAXAS-UHFFFAOYSA-N 448.336 4.079 10 20 IICD CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)c1ccc(OC)cc1 746109297 OLPQYJUBPTZHSF-UHFFFAOYSA-N 427.526 4.301 10 20 IICD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(N(C)C)c(F)c4)cc3C2=O)c1 746798709 RHDLDPWUTVWXRZ-UHFFFAOYSA-N 445.494 4.239 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccc(F)cc2)CCCCC1 749407727 XXXGUGJWDSFLMX-UHFFFAOYSA-N 428.523 4.444 10 20 IICD Cc1cc(CC(=O)OCc2cc(=O)n3c(C)csc3n2)c(C)n1-c1ccc(Cl)cc1 749985934 SFUDPLQNSZWIHM-UHFFFAOYSA-N 441.940 4.411 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)CC2)cc1 751089809 BKFNECFUIUHOLE-FPOVZHCZSA-N 429.586 4.023 10 20 IICD O=C(CC1CCCC1)NC1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 751335618 JBDOVRCPHDDYPZ-UHFFFAOYSA-N 443.657 4.111 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c2)n1 753893418 NJAFJKNTQWIPOQ-UHFFFAOYSA-N 439.491 4.109 10 20 IICD COc1ccc([C@@H](N[C@H](C)c2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622817 YZMAHBVMVGXBGV-IQMFZBJNSA-N 429.513 4.384 10 20 IICD CCOC(=O)COc1ccc(CCN[C@H](C)c2cc(Br)cc(F)c2O)cc1 756733350 QHRPADHXLGNKKX-CYBMUJFWSA-N 440.309 4.129 10 20 IICD C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(N2CCOCC2)cc1 758057539 VOHISUMENVAVRG-GOSISDBHSA-N 448.571 4.284 10 20 IICD O=C(NCCCSc1nccs1)NCC1(c2ccc(Cl)cc2)CCOCC1 759571579 WNAKNEMQZCYKDX-UHFFFAOYSA-N 426.007 4.326 10 20 IICD C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 759872831 GPVFIIHZMGZXSS-KRWDZBQOSA-N 428.960 4.074 10 20 IICD Cc1c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cccc1C(F)(F)F 761024964 OQHTUBPOUMOONV-UHFFFAOYSA-N 432.398 4.480 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])cc1F 762621167 DZZPAQUHONUGAB-MRXNPFEDSA-N 449.910 4.151 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)cc1 764599870 NGNNOPUZVYAMRL-CLOONOSVSA-N 427.564 4.159 10 20 IICD C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 764899197 HQWGVRYKLWVXEY-HXUWFJFHSA-N 427.614 4.312 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 764957043 RGADIWKYSTYENT-GOSISDBHSA-N 445.293 4.413 10 20 IICD C[C@H]1CN(Cc2ccccc2NC(=O)NCc2cccc(Br)c2O)C[C@@H](C)O1 765251782 LORPRXFQZPTMSO-GASCZTMLSA-N 448.361 4.086 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@]2(C1)OCc1ccccc12 771317712 VUFHVHQWPMURSI-XMMPIXPASA-N 443.494 4.098 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(N(C)C)cc1 773845853 JSQWPGLBOYWIDZ-OAHLLOKOSA-N 438.915 4.409 10 20 IICD COc1ccc(-c2ccncc2)cc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O 773899453 OAMNMHUXDLYJAH-DEDYPNTBSA-N 447.541 4.262 10 20 IICD CN1C(=O)CCc2cc(/C=C3\SC(=S)N([C@H]4CCc5ccccc5C4)C3=O)ccc21 773902540 XHBYUDLJULZXEX-IAFWPLRWSA-N 434.586 4.354 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3cn(C)c4cc(Cl)ccc34)CC2)cc1 780387397 NLRAOJWLECRXBG-UHFFFAOYSA-N 440.975 4.351 10 20 IICD CCOC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Cl 784061194 MXALMFCZLGTLHG-UHFFFAOYSA-N 443.931 4.403 10 20 IICD Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)NCc2ccc(N(C)C)cc2)s1 785427620 DZZDEGWGOXTYNR-UHFFFAOYSA-N 435.593 4.010 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)cc1)C1CCCCC1 786303758 QRRYMSYJDHATDX-UHFFFAOYSA-N 434.462 4.124 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)s1 788842974 XGANXORHKHROEY-UHFFFAOYSA-N 448.016 4.332 10 20 IICD C[C@H](NC[C@@H](O)c1cccc(Br)c1)c1cc(Br)c(F)cc1O 802317449 PZJJVAALJXSSCE-XXFAHNHDSA-N 433.115 4.441 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc2)CC1 805022745 CFLHDVVGXJNHSQ-QGZVFWFLSA-N 429.511 4.037 10 20 IICD CC[C@@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc(Cl)c1O 806145899 IDBVCYNJBABMNT-LJQANCHMSA-N 432.948 4.408 10 20 IICD Cc1cc(Br)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513155 IBGBYTRBOKEXCH-UHFFFAOYSA-N 432.101 4.025 10 20 IICD C[C@@H]1CN(c2ccc(CNCc3nc4ccccn4c3Br)cc2F)C[C@@H](C)O1 809606699 APHXUAMIRXJKLV-HUUCEWRRSA-N 447.352 4.139 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 813684753 VXVTXYJXKKIFFI-ORAYPTAESA-N 435.351 4.315 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1cccc(C(F)(F)F)c1O 815576258 NAADODBSTSFMGH-AWEZNQCLSA-N 430.492 4.090 10 20 IICD Cc1cc(Cn2nnc(C(=O)N(Cc3ccccc3O)[C@H](C)c3ccccc3)c2C)on1 815952060 YCZFDIXUCLJDBP-QGZVFWFLSA-N 431.496 4.040 10 20 IICD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc5ccccc5c4O)CC3)cc2NC1=O 816502640 KCIXZLMBUWIKDQ-MRXNPFEDSA-N 430.504 4.360 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)sc2C)cc1 914790628 XORUOEYJHYMDJF-UHFFFAOYSA-N 429.567 4.279 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)s1 917218231 BLLAOEYSYWXEAH-UHFFFAOYSA-N 443.575 4.462 10 20 IICD Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C 917710049 AGFNPMZXNGEKQH-QZTJIDSGSA-N 436.531 4.172 10 20 IICD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919970122 PPJSGDDKNIJBFR-HNNXBMFYSA-N 437.367 4.286 10 20 IICD C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971063 LWBHKRGAVMHOKO-KRWDZBQOSA-N 428.548 4.168 10 20 IICD C[C@H](Cc1cccc(Br)c1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 920811991 PZNZOWGDTHHRSJ-OXQOHEQNSA-N 447.373 4.477 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)CC2)no1 1322120218 KEVAAMVWHAWJQL-UHFFFAOYSA-N 440.931 4.079 10 20 IICD Cc1c(CN[C@@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)n(C)c2ccccc12 479453808 NDIZFCMCAKRERP-QFIPXVFZSA-N 439.003 4.168 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C 564003656 PPAMWLVNCDRPKV-UHFFFAOYSA-N 440.547 4.214 10 20 IICD CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1[N+](=O)[O-] 726628596 ZJYGXCFDQCJUDF-LICLKQGHSA-N 427.507 4.223 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)ccc1OC(F)F 726986342 PABGFRLNECHXOM-OQLLNIDSSA-N 438.477 4.496 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)cc1 730276885 DQTOZPKWXGGJQV-UHFFFAOYSA-N 447.535 4.444 10 20 IICD O=C(OCC(=O)c1cc(Br)sc1Br)c1cc(O)cs1 732354772 ZCTUZAJLOSEBMA-UHFFFAOYSA-N 426.107 4.080 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 735863336 JAIJOZHMXDJUTL-UHFFFAOYSA-N 433.574 4.054 10 20 IICD Cc1cc(O)ccc1NS(=O)(=O)c1c(Br)cc(F)cc1Br 740700772 HEWGLBRBEHRWBQ-UHFFFAOYSA-N 439.100 4.166 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 740801340 XXJBIRJALITIBM-UHFFFAOYSA-N 445.560 4.243 10 20 IICD CSC1(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCOCC1 742110176 WNZMUFAAILSVCP-UHFFFAOYSA-N 437.403 4.499 10 20 IICD O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1Cl 742333962 BDKSMWXPAURANI-ZDUSSCGKSA-N 434.867 4.028 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)n2)c1 743046083 OEHIHCVFOAEUNS-UHFFFAOYSA-N 446.550 4.467 10 20 IICD CC(C)n1ncc2cc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cnc21 743098350 PAKYTKSKAMPWEV-INIZCTEOSA-N 444.486 4.404 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)c1 743284938 QZPMZARYCGYGBE-CXUHLZMHSA-N 439.967 4.158 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@]12CCCc1ccccc12 743313597 WHDRZTRPZJMBAW-ISKFKSNPSA-N 444.497 4.452 10 20 IICD C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 747384696 PLMCFEAVWNVYKQ-ONGXBYRLSA-N 429.358 4.267 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 748848812 JPBJVYWIBVXLAX-UYRXBGFRSA-N 444.534 4.446 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)c2)n1 751019337 VWNRXWATIQZTME-UHFFFAOYSA-N 435.528 4.407 10 20 IICD Cc1cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c(C)n1-c1cccc(Cl)c1 752331798 BOESDFRAINIPFW-QGZVFWFLSA-N 439.907 4.043 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 752891493 KQSQXUGSWLJRFT-IYBDPMFKSA-N 444.507 4.082 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ncccn4)cc3C)CC2)cc1F 753882909 CIFRANFOVQEWMH-UHFFFAOYSA-N 437.475 4.079 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 758366587 WCJWXCHIIDFLBY-XZOQPEGZSA-N 443.588 4.441 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1COc2ccc(Cl)cc21 762055907 JGICBNIVCZCIQS-GOSISDBHSA-N 437.874 4.343 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(O)(c4ccccc4Cl)CC3)CC2)cc1 765479271 HOPVAYQGUJHIPU-UHFFFAOYSA-N 443.975 4.011 10 20 IICD CC[C@@H](C)n1c(SCC(=O)NCc2cc(OC)ccc2O)nnc1-c1ccccc1 769543133 NVEJLPBBQXWQEU-OAHLLOKOSA-N 426.542 4.039 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)cc1 771524912 NORJQYSEFYBYLT-UHFFFAOYSA-N 433.936 4.402 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)NCc4ccc(F)cc4)cc3)cc2)CC1 771824613 MURQQWMNGNCAJM-UHFFFAOYSA-N 432.543 4.120 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 772708029 WZBIBMVTYDWTBL-NRFANRHFSA-N 438.528 4.351 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1ccc(N(C)C)cc1 776249347 NDGUOJLZLWVYTM-HNNXBMFYSA-N 449.382 4.288 10 20 IICD CCCc1nc(C)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1 777219123 HKXQMUDVHAIWEZ-UHFFFAOYSA-N 437.568 4.224 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 779161763 NXOVVQTUKBATMX-UHFFFAOYSA-N 448.473 4.340 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 781082825 CTGQGTMKDSJOEO-DHZHZOJOSA-N 433.346 4.291 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 788094737 RODBPKZMMIEXSN-ZRCAFCQKSA-N 446.494 4.194 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1c(C)cc(C)cc1O)CC2 788640451 SEFLUKXHAMACSB-SFHVURJKSA-N 426.557 4.042 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)c(C)n1-c1ccc(F)cc1 790442695 MMSVXKPWQZCSNK-UHFFFAOYSA-N 434.471 4.320 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc(Cl)c1F 792281263 VDYUADRNWKHCJC-UHFFFAOYSA-N 447.894 4.010 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 793167427 LSXCFQTVNRJZMN-ZRZAMGCNSA-N 444.535 4.207 10 20 IICD CN1C(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2cc(Br)cnc21 794876702 HQYGWVDLYADARO-SXGWCWSVSA-N 443.301 4.260 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc(F)c2C)nc1-c1ccc2c(c1)CCC(=O)N2 799187637 XVLNSRJAPNHJMS-UHFFFAOYSA-N 431.514 4.252 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 806276105 HVFHIQRHVBJSFY-UHFFFAOYSA-N 425.579 4.086 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1)c1ccc(N(C)C)cc1 807674146 GXFCYUWYYKBGET-INIZCTEOSA-N 427.595 4.282 10 20 IICD CC(C)(C)c1nc(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cs1 807926191 ZSDLPVYGLSLOKF-UHFFFAOYSA-N 443.613 4.166 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc3c(s2)CCCC3(C)C)cc1 810351865 XBEGUBJPESXPCV-UHFFFAOYSA-N 428.602 4.200 10 20 IICD CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(O)c(O)c1 825282092 HBSKDUFQHNRWDE-UHFFFAOYSA-N 427.526 4.289 10 20 IICD CCOC(=O)c1c(NC(=O)CCNC(=O)c2ccco2)sc(C)c1-c1ccc(F)cc1 829984218 ODPRNRZHMYIBCN-UHFFFAOYSA-N 444.484 4.391 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(F)cc1 830113326 MGXVUFHESBTXAA-MRXNPFEDSA-N 432.517 4.236 10 20 IICD COc1ccc(OC)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914069805 CHVZYDOJYXRDEW-SFQUDFHCSA-N 448.591 4.385 10 20 IICD Cc1nc2ccccc2cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456307 DCEUZTNRIBFGCQ-UHFFFAOYSA-N 429.442 4.329 10 20 IICD COc1cccc(-c2n[nH]cc2/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 918711844 CMKACIAAIVBQQG-LICLKQGHSA-N 437.502 4.189 10 20 IICD CCC[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 919698901 AYWGYIYEKSXPHB-JOCHJYFZSA-N 447.558 4.142 10 20 IICD Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCCC4)c3)c2)no1 919823664 VYMIAMPMPLNRSI-UHFFFAOYSA-N 440.525 4.026 10 20 IICD Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 1800514662 ADEVQLHJCWATPP-VILGAWFOSA-N 445.563 4.490 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)C3CC3)[C@@H]2c2cccnc2)cc1 1811272640 LIPMHUMRDVHZMB-ILBGXUMGSA-N 442.563 4.219 10 20 IICD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCC1 1821292645 XCNMCHOPMNZLTJ-MRXNPFEDSA-N 446.935 4.361 10 20 IICD CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821295534 YXHYVXALVLBFLN-GXDWLZFVSA-N 432.908 4.137 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1 9932377 GFKIOQQCELSHFA-UHFFFAOYSA-N 445.629 4.144 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 105278625 YVDQPLWGZXIDJX-UHFFFAOYSA-N 428.583 4.114 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)Nc4ccc(C)cn4)CC3)ccc21 482843388 BOWAXUJOJKHZLP-UHFFFAOYSA-N 448.567 4.099 10 20 IICD O=[N+]([O-])c1cc(CNCCNc2ccc(-c3ccccc3)nn2)ccc1N1CCCCC1 725850523 ABPCPLJRWKGYSW-UHFFFAOYSA-N 432.528 4.244 10 20 IICD O=C1CCCN1C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 726093201 MZNWFBIOQIXRFF-JOCHJYFZSA-N 433.508 4.061 10 20 IICD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 726315909 PZAAOOJXYZGFJK-SFHVURJKSA-N 435.528 4.051 10 20 IICD COc1ccc(C(=O)CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726567608 RFDSVRSPFFZKJC-UHFFFAOYSA-N 432.467 4.045 10 20 IICD CN(CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 726609780 FOMCWOYLTHKQGE-UHFFFAOYSA-N 432.515 4.083 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CCc2ccc(F)cc21 730119714 ZJNCACNHJPAJOE-FQEVSTJZSA-N 437.437 4.168 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)cc2)CC1 731048330 JHZOJMVECVVKDU-QHCPKHFHSA-N 435.547 4.384 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1Br 731131568 NRHKDOQOJZKRSW-UHFFFAOYSA-N 444.373 4.249 10 20 IICD O=C(NCc1ccccc1O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 731809206 QQILCCCRUNDHPR-UHFFFAOYSA-N 446.763 4.210 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1 732249228 PHNLDAGVVAAWIZ-HXUWFJFHSA-N 440.588 4.073 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 734424371 CCZDBRMMPDWOTP-UNMCSNQZSA-N 447.501 4.340 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H](CCCO)c1ccccc1 741083811 ABMWTZDLHHUPFU-OAQYLSRUSA-N 433.499 4.070 10 20 IICD COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 742758658 HXDBXWQAUSIQGM-HSZRJFAPSA-N 441.572 4.006 10 20 IICD C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@@H](C)S1 742767312 HWNFRYJGYPZIFB-CJJNDWFMSA-N 426.654 4.082 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@H]1c1cccc(F)c1 743554406 DHXCXYNWJHQSTG-FQEVSTJZSA-N 437.437 4.338 10 20 IICD CN(CCOc1ccccc1F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903815 IPSVDAOREMZXOP-MRXNPFEDSA-N 437.462 4.116 10 20 IICD CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 745976037 BMNROMOSIRABEQ-UHFFFAOYSA-N 430.979 4.200 10 20 IICD COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 747211629 RVPDAWGWFAXFCX-UHFFFAOYSA-N 425.407 4.209 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3CSC3=NCCS3)CC2)cc1 747217782 JURZZNXXXGGDFR-UHFFFAOYSA-N 441.622 4.430 10 20 IICD C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 748631677 DDFKQXOSXBEZQZ-ONGXBYRLSA-N 429.358 4.267 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1F 752896365 ZSYQKNDVMYBHQN-UHFFFAOYSA-N 446.523 4.117 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3cncc(Br)c3)n2)ccc1F 753976832 BENWOAADEHRQTM-UHFFFAOYSA-N 428.308 4.216 10 20 IICD CC(C)(C)n1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1-c1ccccc1 754184268 VQIMMJWLPSQKQO-UHFFFAOYSA-N 436.531 4.211 10 20 IICD CC[C@@H](N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(C)noc1C 756869207 TVOYCNIWHIIQCI-SPLOXXLWSA-N 431.492 4.135 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](c3ccccc3C)C(C)C)CC2)cc(OC)c1OC 759266729 PCVLGIXBBPROKR-HSZRJFAPSA-N 441.572 4.250 10 20 IICD Cc1cc(C(=O)CN2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 759875051 MDUBXTBINKPJSS-MHTXLSKPSA-N 426.504 4.139 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1 761974823 XZWHOYOABFWEFJ-YWZLYKJASA-N 442.581 4.091 10 20 IICD O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc(Br)c1O 766202250 YSLOMHJKKCKEMI-UHFFFAOYSA-N 425.131 4.081 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)c(C)s3)ccc21 767675177 JPOQRPYFMGUZIS-UHFFFAOYSA-N 429.523 4.156 10 20 IICD O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 768252503 QYFNNVTZFCPWJN-UHFFFAOYSA-N 440.519 4.072 10 20 IICD CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 769554640 CIOBCCLPPNGBPS-KRWDZBQOSA-N 431.537 4.334 10 20 IICD C[C@H](NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(N(C)C)cc1 776166622 KHBRKAPOCGFYGV-GLDPYIMESA-N 425.573 4.438 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ncc(Br)cc3F)cc2F)CC1 779025149 WBGQLACQXKPBML-CQSZACIVSA-N 439.348 4.115 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896512 PVMRZGGVABTNJW-UHFFFAOYSA-N 432.524 4.186 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)c1ccc(N)cc1 783487518 WJNSBSGJHXWIET-QGZVFWFLSA-N 443.482 4.327 10 20 IICD C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCNC2=O)cc1 786831428 YLKAYLDEYGHSAN-FUHWJXTLSA-N 430.499 4.137 10 20 IICD CCCCOc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 788931150 GKJQIOWIFQEROC-UHFFFAOYSA-N 443.975 4.052 10 20 IICD CC(C)(C)c1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)n(-c2ncccn2)n1 789263730 IXJIGXRZLVZBFV-UHFFFAOYSA-N 446.511 4.493 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c1O 789570794 JUSWWNUKWSWVTD-UHFFFAOYSA-N 446.290 4.025 10 20 IICD O=[N+]([O-])c1cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)ccc1N1CCCCC1 793349626 UJJPDOMEXXJULJ-QGZVFWFLSA-N 439.434 4.307 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1 795990715 BTKGASJSJPOORU-UHFFFAOYSA-N 429.520 4.346 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CC(=O)N(C)C)CC1 802014075 NPMQTQLMSIEJRK-UHFFFAOYSA-N 434.588 4.067 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 807513713 UEYKZZWMJGBNBY-UHFFFAOYSA-N 436.320 4.441 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 811921676 FQWCPBMRFBBVDY-UHFFFAOYSA-N 447.461 4.215 10 20 IICD CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812042172 VQKAVYBTJWQTLB-UHFFFAOYSA-N 428.540 4.239 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C(=O)N(C)C)cc1 813855737 SPTCIDBWRHBIJZ-MRXNPFEDSA-N 435.490 4.095 10 20 IICD CC(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCO1 819416996 NECOTWUOUMBQEI-BQGMYUGNSA-N 438.640 4.003 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(COc4cccc(C(=O)OC)c4)no3)ccc21 904616727 RUHDYLFARLJAKE-UHFFFAOYSA-N 435.480 4.320 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 915219220 UGONRSIYKKGWQZ-UHFFFAOYSA-N 438.914 4.060 10 20 IICD COc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1OC(C)C 916392990 DGXASBLRPKXAIL-UHFFFAOYSA-N 429.586 4.035 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CN1CCSC1=O 916438423 NRWKQJXZNDCYHM-KRWDZBQOSA-N 437.487 4.467 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c(C)n1-c1cccc(Cl)c1 919984995 STWHISCIMIYXKZ-UHFFFAOYSA-N 436.899 4.398 10 20 IICD C[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(N2CCOCC2)cc1 920866784 LBOUOYZCWUHHIP-SFHVURJKSA-N 433.556 4.050 10 20 IICD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc(N3CCCC3)cc2)c1 1318724842 VQEIQNSXORBNSR-UHFFFAOYSA-N 437.565 4.167 10 20 IICD O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1319817277 DEPCXDDLCLQHRO-LJQANCHMSA-N 425.916 4.024 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)CC2)cc1 1321435929 NJVIXTKKEPUBMN-SFHVURJKSA-N 433.556 4.130 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Oc1cccc(C)c1 1321674247 NJZLAAMNZMCPDL-FQEVSTJZSA-N 435.476 4.103 10 20 IICD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738944 YOYUHXKZHWRYJZ-QWFCFKBJSA-N 446.975 4.031 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccccc2COc2ccccc2)n(C)c2ccccc12 472808667 JVBBUVSIJLPDCY-UHFFFAOYSA-N 427.504 4.321 10 20 IICD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 484400565 YXNPDTZUBDBCFG-UHFFFAOYSA-N 435.568 4.269 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 726266107 LJLVRZVBONHGHW-UHFFFAOYSA-N 444.620 4.465 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)CC2)cc1 726560954 YIXQIRGDZPWGPM-UHFFFAOYSA-N 433.556 4.297 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 729039051 HLNWPNCNUMJBLS-INIZCTEOSA-N 431.492 4.486 10 20 IICD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC 731015778 GEKVZPYIJPVENZ-UHFFFAOYSA-N 427.501 4.168 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 734016158 CPMKSOZEUWAKCC-UHFFFAOYSA-N 432.270 4.265 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 734402250 JYZCFQDLZLJAFQ-IRLDBZIGSA-N 447.501 4.306 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1C[C@@H]1c1c(F)cccc1F 734866276 ABBZTMYLEQEUNU-QFBILLFUSA-N 437.437 4.390 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)CC2)cc1 735385733 SGQIPGVNVGMLNM-UHFFFAOYSA-N 439.400 4.190 10 20 IICD O=C(Nc1cccc(Oc2ccccc2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 737110881 LZXCFCKSNRJNSX-HSZRJFAPSA-N 446.503 4.331 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)C2CC2)cc1 737138915 YTIJEXJUAOHEDY-UHFFFAOYSA-N 440.975 4.136 10 20 IICD Cc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1S(=O)(=O)NC1CC1 740800159 OUCTZOVGOSANNW-UHFFFAOYSA-N 437.565 4.404 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(N2CCOC2=O)cc1 743117365 UMYBAPPKMPGYKZ-UHFFFAOYSA-N 434.290 4.165 10 20 IICD CC[C@@H]1CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CC[C@H]1c1ccccc1 746382451 NIXOWTLHHZVWSE-QFQXNSOFSA-N 436.596 4.443 10 20 IICD O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1cncc(Br)c1 747856516 IBOYWIHFIUZDCJ-UHFFFAOYSA-N 432.271 4.047 10 20 IICD O=S(=O)(NCCSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1ccccc1 748033652 MWHUTAUHBDKKJZ-UHFFFAOYSA-N 441.500 4.183 10 20 IICD CCOC(=O)c1cnn(-c2ccc(NC(=O)NCc3ccccc3O)cc2)c1C(F)(F)F 748442646 GKUSUUSYGBESPU-UHFFFAOYSA-N 448.401 4.095 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c2C)cc1 748755684 RSVKZPQTKVZAHS-UHFFFAOYSA-N 446.551 4.057 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C 749645965 SVCYMIMBKRQORK-INIZCTEOSA-N 428.529 4.230 10 20 IICD CCCCN1C(=O)c2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2C1=O 751303030 SRJCHWPUPHOVOH-UHFFFAOYSA-N 439.475 4.045 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1F 753885745 LMKRBNGYHRMYJS-UHFFFAOYSA-N 438.459 4.034 10 20 IICD COc1cc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1NC(N)=O 762571645 OYNBLNXJTZSJAM-UHFFFAOYSA-N 426.904 4.428 10 20 IICD C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)OC(C)(C)C 762783824 IAEARTDYHDDJGK-SLQMCABGSA-N 441.596 4.003 10 20 IICD CCS(=O)(=O)c1ccc2oc(CN(C)Cc3ccc(N4CCCCC4)cc3)nc2c1 766003329 BHUOEHBRRNYAFV-UHFFFAOYSA-N 427.570 4.244 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3-c3nc(C(C)(C)C)no3)c2)CC1 770145874 AXYMLDAMCRVUNV-UHFFFAOYSA-N 433.556 4.428 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(F)cc3C(F)(F)F)SC2=S)cc1 771851063 POSNQXLJKRNTKH-AUWJEWJLSA-N 426.416 4.349 10 20 IICD CN(C)c1ccc(CNC(=O)c2cc(Br)ccc2Br)cc1F 772596528 NVMMTUYWVHYLHC-UHFFFAOYSA-N 430.115 4.347 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1F 775049390 XXIHNZXCFVEGTI-UHFFFAOYSA-N 444.868 4.329 10 20 IICD O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 776744560 XJRNHMGXWPKCLK-UHFFFAOYSA-N 426.475 4.168 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(Cl)c2F)cc1 782425175 PCVXMFIOQXJFAA-UHFFFAOYSA-N 429.879 4.306 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)ccc1F 783487081 UKDIAHIXPHEWEU-HNNXBMFYSA-N 434.471 4.099 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 789332335 VATGPMRYDZQVAL-ROUUACIJSA-N 437.519 4.255 10 20 IICD Cc1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)C2 790204060 JXRFVBWFTNERCS-UHFFFAOYSA-N 433.474 4.118 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(CC(F)(F)F)CC3)cc2F)C[C@@H](C)O1 790670381 BNSQNBGBRFJNOW-GASCZTMLSA-N 431.474 4.313 10 20 IICD FC(F)(F)Oc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1Br 792930125 HYGJQWSSVXGOQH-UHFFFAOYSA-N 445.279 4.474 10 20 IICD COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1 793568987 CIEKUCCMQBKWKF-SFHVURJKSA-N 434.330 4.123 10 20 IICD CN1C(=O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2cc(Br)cnc21 794876699 HQYGWVDLYADARO-CXUHLZMHSA-N 443.301 4.260 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cncc4ccccc34)cc2Cl)C1 800636868 PQYUXTMLMOBNNF-MRXNPFEDSA-N 436.943 4.379 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@]3(Cc4ccc(Cl)cc4)CCOC3)CC2)cc1 800705046 PYDDZXQCOLBOCC-DEOSSOPVSA-N 443.975 4.018 10 20 IICD Cc1oc2c(CN3CCC[C@H](CN4CCOCC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 800854706 QXNFPZARDRWIMZ-HXUWFJFHSA-N 448.563 4.018 10 20 IICD CC(C)c1ccc(CN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1 803302999 WSSUWFODSBAAEB-FQEVSTJZSA-N 449.595 4.015 10 20 IICD O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)ccc1Br 805135211 QFBNBGINTUXZLT-UHFFFAOYSA-N 429.094 4.079 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(Br)cc(F)c1O 806168786 AMFIHXVNIMSCQQ-ZYHUDNBSSA-N 441.263 4.278 10 20 IICD COc1cc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc(OC)c1OC(C)=O 814289199 KDVHRUXSEONUQK-CXUHLZMHSA-N 435.548 4.092 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2n1C(F)F 838698146 ULKSWKKLFHAXQV-INIZCTEOSA-N 443.498 4.171 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1c(F)cccc1F 914491747 KZWSTVIRLBHJIH-NSHDSACASA-N 436.370 4.139 10 20 IICD COCCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCCC1 914516606 QLYMGWWJMWGZRG-VKAVYKQESA-N 438.640 4.147 10 20 IICD Cc1nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2nc1C 916457588 GZRWLCDOWVAGIQ-UHFFFAOYSA-N 444.457 4.032 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Br 916668096 HCJWSPUZAPSKKF-UHFFFAOYSA-N 436.325 4.179 10 20 IICD CCN(CC)c1ccc(CN/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1 917602330 GHGNXOKYEDEASJ-PTGBLXJZSA-N 426.520 4.246 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)C)cc3)n2)s1 918062862 APEQOIFVCBHJBE-UHFFFAOYSA-N 435.596 4.432 10 20 IICD CCc1ccc([C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(C)C)cc1 918118429 SBJZIYHSFZBNPA-ISKFKSNPSA-N 436.600 4.147 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(Cc1cccnc1)C1CC1 918257972 PPBJAQPBTFQSOC-LDADJPATSA-N 443.619 4.316 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 918438842 IXTCXDKIZCLVMW-UHFFFAOYSA-N 447.560 4.287 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 919694615 BRLJYRFZVDSCSB-UHFFFAOYSA-N 434.989 4.151 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920924443 ARQUXKQPZVTRIH-IBGZPJMESA-N 429.520 4.006 10 20 IICD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CCC1 1823710944 PCCULJUVXBKJTH-LBPRGKRZSA-N 449.960 4.014 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 115330007 MLJOIQVAPDXJSE-UHFFFAOYSA-N 437.515 4.036 10 20 IICD CS(=O)(=O)c1cccc([C@@H](NCc2ccc3c(c2)CCO3)c2ccc(F)c(F)c2)c1 237480769 WANVSNMWZABTEG-HSZRJFAPSA-N 429.488 4.182 10 20 IICD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 725733402 OLLDZJDTNCDRPZ-UHFFFAOYSA-N 434.565 4.239 10 20 IICD COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)Cc2cccs2)cc1 727139062 BWQHHSRONRTBJC-UHFFFAOYSA-N 449.576 4.207 10 20 IICD Cc1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OC(F)F)cc1 731058697 LGCCOSUKERDLLM-UHFFFAOYSA-N 441.437 4.429 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OC)c(Br)c3)CC2)cc1 732881747 IPGQOGLMRIKARI-UHFFFAOYSA-N 434.334 4.257 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 734070849 AYLUIWSIOZSIKC-HXUWFJFHSA-N 434.506 4.187 10 20 IICD O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 735518254 IBGLDRCKQMDBFH-LJQANCHMSA-N 445.441 4.418 10 20 IICD O=C(c1csc(COc2ccc(F)cc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735520193 XVDVILRSPNAJPY-IBGZPJMESA-N 442.512 4.388 10 20 IICD COc1cc(N(C)Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 741798769 LSMLLSIRNWKBLB-UHFFFAOYSA-N 441.549 4.490 10 20 IICD O=C(Cc1ccc(OC(F)F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799954 OJKISBYFGRXENG-HNNXBMFYSA-N 426.410 4.217 10 20 IICD CC(C)NS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743077692 DENPTXIKTVXCCO-UHFFFAOYSA-N 445.585 4.446 10 20 IICD CCNC(=O)COc1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 743088651 DBUHWJIYMNNBPW-UHFFFAOYSA-N 425.529 4.274 10 20 IICD CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccc(N2CCSCC2)cc1 747358798 CIQYFBBVHDBPJL-UHFFFAOYSA-N 440.594 4.250 10 20 IICD O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)c2ccccc12 751237638 SBLJCOSEACIBJS-UHFFFAOYSA-N 444.984 4.180 10 20 IICD CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(-c5cccs5)cs4)ccc1c23 753692361 SYYBJGSMEZDUBX-UHFFFAOYSA-N 427.532 4.416 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(CCc3ccccc3)no2)c1)c1cccs1 758293278 KWZFTCPEUKGIDV-UHFFFAOYSA-N 427.507 4.090 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(-n2cccc2)sc2c1CCC2 759221033 ITBBOUAHYNDECJ-UHFFFAOYSA-N 439.556 4.058 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCC3CC(OC(C)(C)C)C3)cc2F)C[C@@H](C)O1 763197454 UODMASOLBQPIAM-ZVBHREPYSA-N 435.584 4.222 10 20 IICD C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCCC2)cc1 763562178 LTKPDBNQVARTCA-HXUWFJFHSA-N 427.614 4.458 10 20 IICD Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 764923479 CIWBXGBGKJXQIQ-IAGOWNOFSA-N 434.515 4.135 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OCC(=O)N(C)C 765384404 XIMRKDYRSUGZGM-FQEVSTJZSA-N 439.600 4.393 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H](C)Cc3ccc(Br)cc3)CC2)cc1 765647060 BMSWDPDPFQKQKJ-QGZVFWFLSA-N 431.374 4.375 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 769292888 VPWIRMZITMDZBP-HOTGVXAUSA-N 441.366 4.197 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1c1ccsc1 769690315 PSYUSPHHHGUBHM-INIZCTEOSA-N 434.564 4.293 10 20 IICD CCc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 773504161 FXDIXBKYSSNRRS-HNNXBMFYSA-N 436.478 4.060 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(N(C)C)cc1 773845850 JSQWPGLBOYWIDZ-HNNXBMFYSA-N 438.915 4.409 10 20 IICD CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 782896464 OMZUQEMJTRDDCU-UHFFFAOYSA-N 437.540 4.287 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1 784650430 LAHVUKOEIWQGSJ-UHFFFAOYSA-N 433.499 4.195 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C4(S(C)(=O)=O)CC4)n3)c2C)cc1 791458201 FVBKEQQVQFSCDE-UHFFFAOYSA-N 429.567 4.042 10 20 IICD CN(C)c1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1F 792951129 FRYNBJVLXIFXRT-INIZCTEOSA-N 433.833 4.097 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)c1O 794829348 RDOKVNPYXFMBEA-BMIGLBTASA-N 442.151 4.103 10 20 IICD CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 800046724 BVNORRUADMLVNF-GOSISDBHSA-N 449.039 4.366 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 805297209 GHUVQRSGRDLEMU-LJQANCHMSA-N 426.561 4.399 10 20 IICD CCOC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nc1 815533521 YRJNKVSLDJQILJ-UHFFFAOYSA-N 432.436 4.469 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C1CCCCC1 857472637 NBNDASXWXLQRLH-IBGZPJMESA-N 430.980 4.450 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H]1CCc2ccccc21 863856659 HSMRVWZBNBJNAM-FQEVSTJZSA-N 426.428 4.130 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@H]1CC1(Cl)Cl 913359911 GIUHBHNEELYWIT-VPMLRQHESA-N 436.407 4.467 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OC1CCCC1 913962265 NAYAQBZUQKIZIM-NTEUORMPSA-N 426.357 4.136 10 20 IICD C[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914110014 YBVGVVPPSQVFME-XBUHWIKASA-N 439.400 4.051 10 20 IICD Cc1cc(CCNC(=O)N2CCC(CC(=O)N3CCCC3)CC2)c(C)n1-c1ccccc1 916221195 UCUWPFVXUYANNP-UHFFFAOYSA-N 436.600 4.071 10 20 IICD O=C(COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)c1ccc(O)c(O)c1 916611608 TUBGDMYRHSJISI-UHFFFAOYSA-N 443.521 4.207 10 20 IICD C[C@H](Cc1ccc(Br)cc1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916645504 FMRNBRGUCBRKPD-OXQOHEQNSA-N 447.373 4.477 10 20 IICD Cc1cc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)n1-c1ccccn1 917081906 JDKNSLMEKHQBMO-QFIPXVFZSA-N 430.552 4.207 10 20 IICD CCCOCc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918216859 UPOPVWXFTISPBC-OALUTQOASA-N 443.563 4.365 10 20 IICD Cc1cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1-c1cccc(Br)c1 918618593 SJYPPSHOCSNUQZ-IBGZPJMESA-N 443.345 4.484 10 20 IICD COC(=O)[C@@H](CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)Cc1ccc(O)cc1 1251823570 CQEMSIAOGUIEKE-GOSISDBHSA-N 440.927 4.215 10 20 IICD CC(C)=CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1781122531 RXFPRGHYEJWHHR-MHZLTWQESA-N 449.595 4.284 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@@H]2C2CC2)C3)cc1 1800512298 UAAIBQWWSUHARJ-DYRSJPJJSA-N 431.580 4.392 10 20 IICD CCC(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157765 UEVGVXWICRBKPA-OAQYLSRUSA-N 447.539 4.102 10 20 IICD CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740089 HVLXALGOYXQFCG-GOSISDBHSA-N 436.980 4.421 10 20 IICD COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S 33458497 VSYPYJYDUIVPQD-WOJGMQOQSA-N 445.518 4.044 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 303685148 KDNMZFFDVCNUTK-HSZRJFAPSA-N 429.520 4.493 10 20 IICD CCOc1cc2c(cc1NC(=O)Cn1c3c(c4ccccc41)CN(C(C)C)CC3)OCCO2 436011955 RSSXRGSHXGJLDR-UHFFFAOYSA-N 449.551 4.216 10 20 IICD CN(C[C@@H]1OCCc2ccccc21)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726719690 SAHDEPSRDJBCBN-QFIPXVFZSA-N 445.510 4.212 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 728839747 LSQYDGQYVQLQEB-UHFFFAOYSA-N 440.378 4.082 10 20 IICD COc1cccc(CNC(=O)CCCCc2ccc(I)cc2)c1O 729859341 PLDHDHUGVMGJNX-UHFFFAOYSA-N 439.293 4.035 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)Cc3cccc(Cl)c3)cc2F)CC1 730132404 CQTHNCQUBAFJKX-UHFFFAOYSA-N 432.971 4.353 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 730526408 HHKHZILEEMADND-SFHVURJKSA-N 446.638 4.268 10 20 IICD COc1ccc(N2CCN(C(=O)CS[C@H](C)c3ccc(OC(F)F)cc3)CC2)cc1 731040443 SSJOXIALGDYGJL-MRXNPFEDSA-N 436.524 4.440 10 20 IICD NC(=O)[C@H]1CCCN(Cc2cccc(CNCc3cc(-c4ccccc4)ccc3O)c2)C1 731041111 SAURBHVJXOZPQH-DEOSSOPVSA-N 429.564 4.046 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(OC(F)F)cc1 731058764 QYNJQPOWTLDLOA-UHFFFAOYSA-N 441.437 4.429 10 20 IICD COc1ccc(CCN(CC(C)C)C(=O)NCc2ccc3c(c2)CCCN3C)cc1OC 734664506 WYGWHXRLYPGPMQ-UHFFFAOYSA-N 439.600 4.497 10 20 IICD O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCSc1nccs1 736680363 IGHJCSWMFSXOPX-MRXNPFEDSA-N 447.529 4.191 10 20 IICD CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1F 740168759 XDUOJLYUBYICIB-LDADJPATSA-N 429.542 4.177 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cn1 743047201 XVINKIPSGFMRKU-UHFFFAOYSA-N 426.523 4.114 10 20 IICD O=C(Nc1cnn(-c2ccccc2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743184216 UJVJELLGHFRJFZ-MRXNPFEDSA-N 427.455 4.264 10 20 IICD CCOc1ccc(C2(CNC(=O)NCc3c(O)ccc4c3CCCC4)CCOCC2)cc1 743561626 MBIJHAJCPYMASU-UHFFFAOYSA-N 438.568 4.217 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c(OC)c1 743841458 NJCXRUNPNDOMPM-XMMPIXPASA-N 437.584 4.098 10 20 IICD O=C(Nc1ccccc1CN1CCSCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 747296824 NMPBEPXQWKIYDU-NRFANRHFSA-N 441.597 4.154 10 20 IICD C[C@@H]1C[C@H](NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c2c(O)ccc(F)c21 756598696 WIRHVIUFSGZITE-KUHUBIRLSA-N 442.512 4.460 10 20 IICD C[C@H]1CCCCN1Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761006910 XNGWVYYHFGZOTJ-KRWDZBQOSA-N 441.959 4.384 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(COCC(F)(F)F)no1 761462758 LHIOOEOXOIBVOI-XFFZJAGNSA-N 449.501 4.044 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1F 761652056 QTQIAQYHCUOLNI-XMMPIXPASA-N 437.515 4.004 10 20 IICD COc1cccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)c1 764571834 KVEDJMUZGNYXBX-KBMIEXCESA-N 427.564 4.159 10 20 IICD CCCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccccc1C 764663500 PJZBYJMPVCPXPJ-GOSISDBHSA-N 433.556 4.015 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1-c1ccc(Cl)cc1 765287802 TYFLPDQNLNQTAP-HNNXBMFYSA-N 443.954 4.180 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1 768472066 UQDRKMANKNLRPR-IBGZPJMESA-N 430.980 4.170 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 772117898 KZBCBWFWKJEMFY-SFHVURJKSA-N 433.434 4.061 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccnn2Cc2ccccn2)cc1 772435388 WGTPEQKUPWHNLV-UHFFFAOYSA-N 430.512 4.220 10 20 IICD CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 772797965 KJDWEYUNBLISLJ-GOSISDBHSA-N 435.524 4.154 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1)c1ccc(N(C)C)cc1 773846635 NAQHYLGDVULXSL-LJQANCHMSA-N 442.563 4.131 10 20 IICD CN(Cc1nc(O)c2sccc2n1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 782996524 LODDZXCSABURBU-UHFFFAOYSA-N 446.492 4.409 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Br)cc1F 783220504 FKOFQBUFGXVKFO-GDBMZVCRSA-N 434.353 4.141 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)CC1 786053096 KYIXOFUFGFWYSG-UHFFFAOYSA-N 428.536 4.344 10 20 IICD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 789011534 PAYPSYQLJGMOFL-CQSZACIVSA-N 445.496 4.368 10 20 IICD CC(C)c1csc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 789390060 YACKAWWSSSBXCB-UHFFFAOYSA-N 426.542 4.093 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc(Br)c(Cl)s3)cc2)C1 790954044 JMEGDRWCQJKPJD-CYBMUJFWSA-N 442.810 4.156 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N(CCn1ccnc1)Cc1cccc(Cl)c1 797464186 XUYMDNUWWNCFTQ-UHFFFAOYSA-N 435.959 4.325 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 797735239 YVNSYDPQABYSOX-UHFFFAOYSA-N 435.210 4.419 10 20 IICD Cc1oc2c(CN3CCN(Cc4ccncc4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 799396094 RORKLSXNXFCLTB-UHFFFAOYSA-N 441.531 4.187 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)c(C)c1 799636174 JFSLXQFCSZPYCG-UHFFFAOYSA-N 429.567 4.238 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)cc1[N+](=O)[O-] 800926842 XHSSLXUPPNAWDA-UHFFFAOYSA-N 426.479 4.376 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 801551724 QABZANBCTVGPDA-UHFFFAOYSA-N 445.560 4.067 10 20 IICD Cc1cnc([C@@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C2CC2)s1 803676416 HTDAYOPRMFQUGQ-NRFANRHFSA-N 440.613 4.104 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804332546 LTGNQWLTPGVORA-QRWLVFNGSA-N 435.490 4.462 10 20 IICD CCc1ccc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)cc1 806496074 OVEYBBCDPYANSC-BJKOFHAPSA-N 448.611 4.040 10 20 IICD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc(N2CCCC2)cc1 915083731 JBQWFZRMWFNDHQ-UHFFFAOYSA-N 429.520 4.125 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cn4cccn4)c3)cc2F)C[C@H](C)O1 916677925 VOPJJHLVMUNOHV-ROUUACIJSA-N 437.519 4.006 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C2CC2)cc1 918455240 HOUUGZWDRNFDQG-UHFFFAOYSA-N 425.532 4.454 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 919968356 GREDCLRPIZBXTD-UHFFFAOYSA-N 439.556 4.172 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 920285425 LDSILTSEWBPGKL-UHFFFAOYSA-N 427.508 4.153 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 920872811 IXXSCCDMOGSMGW-INIZCTEOSA-N 444.963 4.199 10 20 IICD Cc1cc(-c2nnc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)o2)c(C)n1-c1ccccc1 1117192985 VFUXIVHEODPQOD-UHFFFAOYSA-N 438.465 4.123 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1)c1cc(O)nc(O)c1 1790952373 AQMKBGIKCKHYDX-UHFFFAOYSA-N 443.459 4.301 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821292530 VMUUSGQPJAINDH-SUYBPPKGSA-N 446.935 4.216 10 20 IICD Cc1ccc(Cn2nc(C)c(/C=C3\CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2C)cc1 21191070 QWTTWKJXIBIGHD-XDHOZWIPSA-N 440.503 4.209 10 20 IICD O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(I)cc1 71836005 ONMUVKKOXFNIGU-UHFFFAOYSA-N 445.232 4.177 10 20 IICD Cc1c(CNC(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n(C)c2ccccc12 472243096 QMQALXWXEZMNNO-IBGZPJMESA-N 428.540 4.361 10 20 IICD COc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 483731274 RXAGVHXXDZGDGD-UHFFFAOYSA-N 427.888 4.417 10 20 IICD CN(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S)c1ccccc1 726627185 OMBJDIYQYKPUOK-HMMYKYKNSA-N 426.563 4.186 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O 728197118 RGTIGPFDLKZFAL-QFIPXVFZSA-N 425.431 4.181 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)cc1 731183836 VWXNHVSRJFKCMO-KAYWLYCHSA-N 443.591 4.280 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(=O)NC(C)C 731281347 HVWBPVQTIXOLAW-FQEVSTJZSA-N 425.529 4.052 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1F 731364185 HLNFRRPJSKXLKH-SFHVURJKSA-N 444.580 4.008 10 20 IICD O=C(NCCc1cc2ccccc2o1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 740030759 INZCMGDDHKNEEQ-UHFFFAOYSA-N 447.457 4.330 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccccc1F 742801351 PSIZHZYNQLFLJT-MRXNPFEDSA-N 444.457 4.320 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 743190728 OHILNBFLLIYUFZ-UHFFFAOYSA-N 444.539 4.414 10 20 IICD Cc1nnc(-c2ccc(NC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)o1 747568870 XPHHLQGJYHWNPY-HUUCEWRRSA-N 439.491 4.119 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cnn1-c1ccc(F)cc1F 751306859 CORWMIQRQYFYOZ-UHFFFAOYSA-N 430.418 4.421 10 20 IICD COc1cc(C)c([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C 753627290 ZWFFPQXCIYMNIC-HXUWFJFHSA-N 449.574 4.419 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(C)c4)cs3)ccc21 753977490 DPHJQUFAEBKBLH-UHFFFAOYSA-N 445.541 4.358 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)CCCNCc2cccc(Br)c2O)cc1 756150070 OLVUAOJGAVQPQA-OAHLLOKOSA-N 435.362 4.301 10 20 IICD C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc(Br)cc(Br)c1O 756641296 SUUWJUWCILZTDI-RWJJJZRFSA-N 427.136 4.226 10 20 IICD C[C@H](NCCCOC1CCOCC1)c1cc(Br)cc(Br)c1O 756731580 CDJJOQMWCDGVMM-NSHDSACASA-N 437.172 4.154 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(-c4c(F)cccc4F)c3)cc2)C1 756937884 DRWZRBMCLVDTFQ-HXUWFJFHSA-N 449.501 4.264 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 758695199 JHLQRGUSLKVDPN-UHFFFAOYSA-N 445.361 4.275 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1F 758703352 UPMGDDIFICLEDO-NRFANRHFSA-N 435.490 4.406 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc2ccccc2nc1Br 760179180 MYQUDXFCHBNJCJ-UHFFFAOYSA-N 441.329 4.156 10 20 IICD CC1CCN(c2ccc(CN3C(=O)[C@H](c4cc(F)c(F)c(F)c4)N(C)C3=O)cc2)CC1 761284519 WNTJRXVYRVGACH-NRFANRHFSA-N 431.458 4.476 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(N2CCOC2=O)cc1 765118191 JYEKIBBXNDJULF-KURKYZTESA-N 427.520 4.247 10 20 IICD Fc1cc(CN[C@H]2CCCOc3cc(Br)ccc32)ccc1N1CCOCC1 765118549 LIMUUABAOYGVNT-IBGZPJMESA-N 435.337 4.428 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@H]1CCCN(c2nc3ccccc3s2)C1 765735940 JFCVSPIEUFJFPH-AWEZNQCLSA-N 446.370 4.297 10 20 IICD C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccc(N(C)C)cc1 773002032 WRRGPOJNYRIXAV-INIZCTEOSA-N 431.374 4.441 10 20 IICD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 776833561 SMJDKYAUFXLHEB-UHFFFAOYSA-N 447.532 4.393 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1 777869678 MXYKTLPFNYTLEL-DTQAZKPQSA-N 435.567 4.488 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 780714580 ZPQZGDPTLJRQQV-FCHUYYIVSA-N 441.547 4.463 10 20 IICD O=C(Nc1cc2c(cc1Cl)OCCO2)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895418 AVKNVYQYPHAGTF-UHFFFAOYSA-N 444.915 4.117 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3cc(F)ccc3Br)CC2)cc1 783957874 OVMFYNKDJOZBFO-UHFFFAOYSA-N 435.337 4.315 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 784109973 ZXQOKQOVNCLQJD-UHFFFAOYSA-N 446.507 4.276 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 785543802 NTIZATACLLVVHE-UHFFFAOYSA-N 434.973 4.482 10 20 IICD COc1cccc(OC)c1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 788816732 RKYSOTKWAJNRTK-UHFFFAOYSA-N 433.485 4.210 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(CC(F)(F)F)CC3)cc2F)C[C@H](C)O1 790670386 BNSQNBGBRFJNOW-GJZGRUSLSA-N 431.474 4.313 10 20 IICD COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(OC)c(Cl)c1 793100635 ZRZLIFZRJPSNNB-SFHVURJKSA-N 430.854 4.437 10 20 IICD COc1cccc(OC)c1S(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800148954 UBAXRYSSHNRTSM-OAHLLOKOSA-N 438.977 4.072 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C 807403944 TYIUCGCVGYKIJQ-QRWLVFNGSA-N 434.378 4.378 10 20 IICD CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 807446648 RICPPEORXWPUHM-PMACEKPBSA-N 428.529 4.251 10 20 IICD COc1ccc(CNC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c(O)c1 807600786 QDIJFYFNKAYFLX-UHFFFAOYSA-N 441.528 4.088 10 20 IICD COc1cc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)[nH]c2c(OC)c1OC 807837724 BUWIVOVRRHIPRI-UHFFFAOYSA-N 425.268 4.136 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3 808015193 GAILSJSCLUXLQW-CQSZACIVSA-N 440.590 4.076 10 20 IICD COc1ccc(C[C@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 808817225 ABFBCAYCOPXGDZ-IBGZPJMESA-N 438.568 4.057 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 809197124 DKABGNVRYSKQDK-IRLDBZIGSA-N 425.548 4.083 10 20 IICD CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812024659 PXMBCEUWKSSRBS-UHFFFAOYSA-N 441.963 4.256 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nc(Cl)sc1Cl 816889661 HIISVMSXWUSLAB-UHFFFAOYSA-N 440.274 4.235 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 822080061 GAEJGTFBJRDHIE-UHFFFAOYSA-N 449.642 4.041 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 857757721 QLNHFAGIUFIKRO-QHCPKHFHSA-N 439.600 4.346 10 20 IICD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 914455071 ZXGRTYMIMFMCOS-UHFFFAOYSA-N 448.523 4.105 10 20 IICD COC(=O)c1c(NC(=O)CN(C)C(=O)OC)sc(C)c1-c1ccc(Cl)cc1Cl 915851961 QLGDOWPBPQHBSO-UHFFFAOYSA-N 445.324 4.454 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Br)cc2F)C[C@H](C)O1 917708147 GBLPOFZHJKZFFE-HOTGVXAUSA-N 449.364 4.451 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 918307280 QRVZCFAOCAXALC-UHFFFAOYSA-N 427.854 4.412 10 20 IICD CC(=O)N[C@@H](CC(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)c1cccs1 918891326 ZTAWGXBLTHJKFW-NRFANRHFSA-N 438.549 4.457 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 919654987 PZXAIPYPHGTVPW-XMMPIXPASA-N 434.584 4.230 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 920002146 SFFLVBDOOCRXTR-UHFFFAOYSA-N 433.556 4.029 10 20 IICD CNC(=O)Cc1ccccc1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 1321841012 NXHJLLHVNBZMDT-UHFFFAOYSA-N 440.341 4.397 10 20 IICD COC(=O)Cn1nc(C)c(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1C 1324732363 MPMHKHSJVPCQBS-UHFFFAOYSA-N 448.527 4.084 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1 1790467976 DFLYHNNSTALMHA-QKAYDNCFSA-N 448.519 4.307 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cncc(F)c2)cc1 1795225707 SFWRMQTXDKTLDH-VILGAWFOSA-N 446.526 4.194 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnc2ccc(Br)cn12 97591171 XHKOGVCDPZHHBQ-KPKJPENVSA-N 427.327 4.429 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)NCc3ccc4c(c3)CCCN4C)s2)cc1OC 109460117 PDOHGWFPFUZBBQ-UHFFFAOYSA-N 437.565 4.448 10 20 IICD CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1=O 110357488 QLDAUIYFEGFMQY-UXHICEINSA-N 449.595 4.347 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)[C@@H](C)c3cccc(OC)c3)cc2F)CC1 303355402 ZJOBLFYDAPKSPQ-IBGZPJMESA-N 442.579 4.269 10 20 IICD Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c2ccccc12 471224343 ZAZIRKHTCPQJBG-OZZUTDSSSA-N 433.596 4.310 10 20 IICD Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)NCc1c(C)c2ccccc2n1C 472244296 SXCDSHBSTYEVIU-ROUUACIJSA-N 443.592 4.006 10 20 IICD O=C(CCc1nc(-c2cccs2)no1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566157 ZQVVRPDNEXCJGN-UHFFFAOYSA-N 448.495 4.117 10 20 IICD CN(C)[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCC1 726700543 GXMWLVXCRSWNAL-OAQYLSRUSA-N 438.563 4.067 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 729786663 RCAIJJBGEBNSEC-UHFFFAOYSA-N 446.551 4.104 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3C)s2)cc1OC 734407483 YUCAIZAZWBXLON-UHFFFAOYSA-N 425.554 4.440 10 20 IICD FC(F)(F)Cn1c(-c2ccccc2)cnc1SC[C@H]1CN=C(N2CCOCC2)S1 735416133 VUTGFTYMJHTDSB-OAHLLOKOSA-N 442.532 4.008 10 20 IICD Cc1cc(C(=O)CS[C@H](C)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 737405060 DSFBVDPIMOAYFG-OAHLLOKOSA-N 434.608 4.480 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 741094970 BUPKWNQEMMAXIM-UHFFFAOYSA-N 432.851 4.297 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1 742172525 CMIGAIQXEVCUJA-MZNJEOGPSA-N 426.532 4.149 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1-c1ccccn1 742799212 VMPAFAFWMKOMRF-GOSISDBHSA-N 440.494 4.489 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2ccccc2F)n1 742800971 OCWBNOCSDNWWNR-OAHLLOKOSA-N 430.430 4.012 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(-c2ccccn2)n1 742804937 CTMMYBZQBSQBPI-CQSZACIVSA-N 430.480 4.205 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)c1 743374684 QYPPKWVCVTYAMB-BXKMTCNYSA-N 426.532 4.149 10 20 IICD O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCc1c(O)ccc2c1CCCC2 743638611 SAGKZZRXDQSNJT-UHFFFAOYSA-N 443.853 4.216 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 743890342 JUDVIYNIUGCVOE-UHFFFAOYSA-N 432.524 4.317 10 20 IICD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 744029415 WEIQKUPDALKZNJ-UHFFFAOYSA-N 435.524 4.212 10 20 IICD Cc1cccc([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 745692258 TVNXEDAOHWUBAA-DHLKQENFSA-N 448.611 4.442 10 20 IICD CSc1nnc(CCCNC(=O)NCc2c(O)ccc3c2CCCC3)n1C1CCCC1 745805261 PLSUKKWESJCNTG-UHFFFAOYSA-N 443.617 4.132 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc2C[C@H]1C 751137811 XIXASGSVSQXEEM-QGZVFWFLSA-N 442.581 4.213 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nn(-c2ccc(F)cc2)c2c1CCC2 751302002 HLOHNQVVOYJJIO-UHFFFAOYSA-N 438.466 4.462 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(Br)c2c(c1)OCO2 751303212 VTJMTCOCMJTATO-UHFFFAOYSA-N 437.253 4.140 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)CC2)cc1F 753869237 ZWHCBOSIKFEIEL-UHFFFAOYSA-N 428.508 4.173 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCC2(c3cccc(Br)c3)CCOCC2)c1 756477975 BHLYAFGJLUMDFM-HNNXBMFYSA-N 448.357 4.340 10 20 IICD C[C@@H](NC[C@H](O)COc1ccccc1Br)c1cc(Br)ccc1O 756760439 OZOWMKKCROCYNL-YPMHNXCESA-N 445.151 4.008 10 20 IICD C[C@@H](c1noc(-c2ccc(Cl)cc2)n1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762048008 HRSVUAPSPIQUJF-NSHDSACASA-N 447.278 4.274 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(N2CCCCC2=O)CC1 764281724 ARLZEHGAHHOMFS-UHFFFAOYSA-N 433.512 4.044 10 20 IICD Cc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)c1 765671730 XQVSCHZIBRXBGX-CJFMBICVSA-N 430.552 4.376 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(OCc4ccncc4)cc3)c2)CC1 767932999 HKSOQFZGTODOAK-UHFFFAOYSA-N 430.552 4.443 10 20 IICD O=C(CSCc1nc(O)c2c(-c3ccccc3)csc2n1)NCc1ccccc1O 769364239 ZCQMDCALLLAGEV-UHFFFAOYSA-N 437.546 4.319 10 20 IICD CN(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 769513059 YAYGNVJTPRSALA-OAQYLSRUSA-N 432.490 4.184 10 20 IICD CN1CCN(c2ccc(/C=C3/CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)cc2)CC1 771517971 LCAMDUGYPJETCP-VKAVYKQESA-N 440.469 4.111 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 772799416 ZWECKSUISJCBQF-ZDUSSCGKSA-N 436.306 4.220 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 774922021 FXJVDRBTOZQZCA-INIZCTEOSA-N 435.490 4.386 10 20 IICD Cn1cc(CNCc2cccc(Br)c2O)c(-c2ccc3c(c2)OCCCO3)n1 775153955 YAXLCGJXNUYBDL-UHFFFAOYSA-N 444.329 4.006 10 20 IICD COc1cccc(CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C2CCC(O)CC2)c1 776237713 ICXZNMPWLWLTMF-NWLLBJEDSA-N 425.573 4.338 10 20 IICD CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 784512877 WMIGNJSQTCTQLT-HSZRJFAPSA-N 445.475 4.281 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 786010462 LZNRXYRPNFNFBM-JOCHJYFZSA-N 447.539 4.480 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 788466693 RQKYJCZOOLOYFY-DEOSSOPVSA-N 431.584 4.328 10 20 IICD Cc1nc2ccccc2n1C1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 792852077 IPDWWVSKNBFCNF-LJQANCHMSA-N 447.583 4.289 10 20 IICD O=S(=O)(CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Cc1ccccc1 794428022 UNMKRHPHRCPSBH-OAQYLSRUSA-N 442.606 4.436 10 20 IICD COc1cc(Cl)cc(CN(CCNC(C)=O)Cc2ccc(Br)s2)c1O 800543725 JADMFQHVASBAIY-UHFFFAOYSA-N 447.782 4.017 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1nc2ccccc2s1 804171399 GQIHDJCCKOCJGC-OAHLLOKOSA-N 435.505 4.001 10 20 IICD CC(C)c1ccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 806008244 QYQWTHUBWJYSBW-FQEVSTJZSA-N 439.600 4.285 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1 806654324 OVEIKXVLQPWSGA-UHFFFAOYSA-N 440.403 4.140 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3c(F)cc(C(F)(F)F)cc3F)cc2F)CC1 810362653 XGTONKCQWWUCCQ-UHFFFAOYSA-N 445.407 4.195 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)CC2)cc1 813856108 XBBRICZEFAPYTC-LVXARBLLSA-N 441.591 4.104 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CC2)cc1 917208665 LIVPWGBVVJXMMQ-KRWDZBQOSA-N 433.955 4.047 10 20 IICD CCN(CC(=O)OC)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 920011881 BONKQYHXXXVVPQ-KNTRCKAVSA-N 443.547 4.423 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1 1318193732 GJKXXPGLPKAOJO-UHFFFAOYSA-N 428.540 4.266 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2cccn2)c(F)c1 1318304038 BFPHVSOLVFCVIG-UHFFFAOYSA-N 430.430 4.012 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 1324539672 IAVSLWHGSGMEAC-UHFFFAOYSA-N 443.035 4.378 10 20 IICD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)c1ccc(Cl)cc1 1845500574 QEAJEFWNSWQXIJ-CYBMUJFWSA-N 449.334 4.025 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccccc2Cl)oc1=S 16878656 SCPCKEDSUHZYAV-UHFFFAOYSA-N 430.961 4.452 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N3CCOc4cc(N(C)C)ccc43)s2)cc1OC 72303733 LCKBABOHGKGSEW-UHFFFAOYSA-N 439.537 4.241 10 20 IICD CCN(CC)c1ccc(CN[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1F 236976019 CLESRLITMHULPE-HSZRJFAPSA-N 426.536 4.302 10 20 IICD O=c1c(Cl)c(NCc2ccc(N3CCSCC3)cc2)cnn1-c1ccc(F)cc1F 301095298 OIFDCQLDPYNAFA-UHFFFAOYSA-N 448.926 4.329 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc21 303228201 XOFLXQZZXKQMAL-UHFFFAOYSA-N 449.595 4.043 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 725722829 ZSQWUFGTQPEEHO-UHFFFAOYSA-N 432.549 4.235 10 20 IICD Oc1ccccc1CN(Cc1nc(O)c2cnn(-c3ccccc3)c2n1)Cc1ccco1 731845091 XNVSFBGOJHWYGU-UHFFFAOYSA-N 427.464 4.022 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)c1 734072534 FSICFCPGSGMHCM-UHFFFAOYSA-N 426.856 4.101 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)cc2F)C[C@@H](C)O1 735679994 CYTWHHNRFOJIFY-WCIYBSDLSA-N 435.584 4.080 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)ccc1OC 740605547 QPZKPLWZRFFGTP-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CC1CCN(c2ccc(CNC(=O)Cc3csc(NC(=O)C(C)(C)C)n3)cc2)CC1 742648764 BDXYCXXVQUKHTO-UHFFFAOYSA-N 428.602 4.223 10 20 IICD CN(c1ccc(CNC(=O)Nc2nc(CN3CCOCC3)cs2)cc1)C1CCCCC1 742733838 BEXLNZNCJIMFNF-UHFFFAOYSA-N 443.617 4.066 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc(C(F)(F)F)cs1 745649516 VUOFCMPNNGCYNH-AWEZNQCLSA-N 446.470 4.088 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 747217655 SOYUAYKAUDCZKW-UHFFFAOYSA-N 432.885 4.462 10 20 IICD O=[N+]([O-])c1cnc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(Br)c1 749148029 RIZVIBACSZIXOG-UHFFFAOYSA-N 443.248 4.435 10 20 IICD Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C(=O)N(C)C 751554704 DHUPCLOOPWYGFU-KRWDZBQOSA-N 446.498 4.089 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCC(F)(F)F)CC3CC3)cc2F)C[C@@H](C)O1 752363380 VKWRMPHQZPZNRS-GASCZTMLSA-N 431.474 4.313 10 20 IICD C[C@H](NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(N2CCOCC2)cc1 752917122 ODAJPXIVGZSKJC-KRWDZBQOSA-N 447.501 4.487 10 20 IICD C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)cc(Cl)c1O 756435119 WEUMYHLKLBLACW-LLVKDONJSA-N 432.767 4.204 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 758415519 ITSNJMHOXXLTEY-CYUIRQCWSA-N 429.519 4.041 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 758417244 XDSYQQOZHGHZKR-HTMJNSLASA-N 429.519 4.041 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncc(Br)cc3[N+](=O)[O-])cc2F)C[C@H](C)O1 761884822 XHNYKBWAMNPYBG-RYUDHWBXSA-N 439.285 4.117 10 20 IICD Cc1nc(-c2ccccc2)ncc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 765342464 FMHJYRLVRFVYST-HSZRJFAPSA-N 430.552 4.339 10 20 IICD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cccc(Br)c1O 765751606 HKPVOPZTDSWTDH-UHFFFAOYSA-N 434.721 4.291 10 20 IICD COc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCO2 767940296 KYRQXXQFCOUUED-QRWLVFNGSA-N 447.482 4.088 10 20 IICD CC(C)c1ccc2c(c1)[C@H](NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCO2 768512587 RLYBSIBABBIWGE-HSZRJFAPSA-N 428.598 4.048 10 20 IICD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 774208932 LBNCZEPYAVSJQH-ZYSHUDEJSA-N 435.475 4.135 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1O 774980466 WZYGWHPNUBTQBS-FQEVSTJZSA-N 439.537 4.260 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1 775371189 UZQMKIMEBNFASN-KBXCAEBGSA-N 425.510 4.084 10 20 IICD C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C[C@H]1n1ccnc1 775737812 MPJAWTVMJGLCLC-IAQYHMDHSA-N 429.156 4.197 10 20 IICD CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F 775979761 ALHOHXULXVQYLS-HNNXBMFYSA-N 441.416 4.318 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(OC(C)(C)C)nc3)cc2F)C[C@@H](C)O1 778621499 ZDDCAHDGIWCAPA-IAGOWNOFSA-N 444.551 4.011 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)c1 780471685 KYXHBPKYRBQWGZ-IBGZPJMESA-N 444.531 4.254 10 20 IICD C[S@@](=O)C[C@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 780895424 SJEMTVXAONMETA-OYHNWAKOSA-N 447.192 4.127 10 20 IICD CCOc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782425168 OHUBEOXOHKYWFB-UHFFFAOYSA-N 435.524 4.220 10 20 IICD Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 785293975 IMHAFSIYPFVURA-QGZVFWFLSA-N 434.492 4.193 10 20 IICD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(Cl)cc(F)c3O)cc2)CC1 798085200 LPHCJLWBMFFGGP-UHFFFAOYSA-N 434.895 4.212 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2ccc3c(c2)CCCN3C)c1=O 808867976 PNLWNVSHPJDMHJ-UHFFFAOYSA-N 434.515 4.048 10 20 IICD CS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 906372817 JISIFAOSGXCIQQ-UHFFFAOYSA-N 444.559 4.168 10 20 IICD COCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 914852154 WITJTIVJAJHGIJ-UHFFFAOYSA-N 438.958 4.462 10 20 IICD CCN(CC)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C/c3ccc(N(C)C)cc3)nc2c1 916156050 BCUSYRQTGJMASC-AQTBWJFISA-N 432.977 4.396 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1 917006071 KFRKDGJZSYGAIX-IEGUWTFLSA-N 443.538 4.032 10 20 IICD CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917835998 JTUJVAMQEHUCBL-OAQYLSRUSA-N 442.563 4.086 10 20 IICD O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 918743107 HLHRRYSYCCLTJR-UHFFFAOYSA-N 440.424 4.300 10 20 IICD CCOC(=O)N(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 919777641 OORCPFZMOQECAQ-HXUWFJFHSA-N 427.501 4.198 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(N2CCOCC2)cc1 920924720 DSDAVRBTIRISDA-LJQANCHMSA-N 445.519 4.131 10 20 IICD COc1ccc(N2CCN(C(=O)c3csc(Cc4ccc(Cl)cc4)n3)CC2)cc1 1253071663 RVTOXEBWDHJSJE-UHFFFAOYSA-N 427.957 4.358 10 20 IICD Cc1cccc(NC2=NC(=O)/C(=C\c3cc4ccccc4nc3N3CCOCC3)S2)c1 96513931 QIXQPGSGUJXWLU-RCCKNPSSSA-N 430.533 4.462 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2F)CC1 303253844 BOVNKYDSWYPZMP-UHFFFAOYSA-N 431.555 4.416 10 20 IICD Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1cccc(Br)c1 303333152 XHWGNTOWUXSFCH-UHFFFAOYSA-N 431.309 4.078 10 20 IICD O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(Br)s1 318452915 VEQQVZFNNWVPOJ-UHFFFAOYSA-N 447.115 4.022 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)ccc21 473914624 ZOHFOHAEHZCJLV-QGZVFWFLSA-N 432.524 4.369 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)SC2=S)cn1 726985998 IYWFFBHWQPYWBA-HJSBDDGSSA-N 429.567 4.093 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2SCC(=O)NC(C)C)cc1 728222809 MNYBSEVSSKDCIJ-UHFFFAOYSA-N 427.614 4.422 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccnc(Sc2ccccn2)c1 733843788 ANIDFITUEYXWNQ-UHFFFAOYSA-N 449.580 4.158 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(c3nccs3)CCCC1)c2[N+](=O)[O-] 734789634 NLLKJGCZHPLJPT-UHFFFAOYSA-N 447.472 4.026 10 20 IICD C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755000 UBLLTZSHZCYDEP-IERDGZPVSA-N 445.535 4.041 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 743956292 PKPJLNLOPMBSGC-UHFFFAOYSA-N 426.822 4.198 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CC3CCCCC3)cc2)C1 747301392 SCLVJVCQTZKKAS-GGAORHGYSA-N 426.605 4.033 10 20 IICD O=C(NCc1nccn1CCCc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751810284 QIFCRDMDZSULGU-QHCPKHFHSA-N 448.567 4.112 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 752889325 HCAXBORDCLNSOD-RTBURBONSA-N 427.511 4.063 10 20 IICD CC(=O)CCc1ccc(OCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 754547703 IFVJUZPKMXIJJZ-UHFFFAOYSA-N 441.483 4.391 10 20 IICD COCCN(Cc1cc(Br)cs1)C(=O)NCc1ccc(N(C)C)c(F)c1 755645547 WIJRFSDZJZZPTQ-UHFFFAOYSA-N 444.370 4.074 10 20 IICD Cc1cccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)c1 764913277 KQHQDVIBFLGCLJ-CJFMBICVSA-N 444.019 4.209 10 20 IICD CN1CCN(c2ccc(CNCc3nc4c(s3)C[C@H](c3ccccc3)CC4)cc2)CC1 767192152 ZUBMEUKINIQCGQ-JOCHJYFZSA-N 432.637 4.457 10 20 IICD COc1ccc(CN(Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCS(=O)(=O)C2)cc1 768193750 OVHMROHARJEHMB-HSZRJFAPSA-N 437.561 4.257 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Br)c(F)c1 768509124 PTMGFZFKLWYRGQ-WMLDXEAASA-N 434.353 4.141 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cnc(-c2ccccc2)s1 768937821 CCXRKMBVWYQBSW-UHFFFAOYSA-N 434.565 4.398 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@]2(C1)OCc1ccccc12 771330436 IDHCTCWSOYRMIP-HOYKHHGWSA-N 443.494 4.098 10 20 IICD COc1ccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1OCC(N)=O 772063982 JQAYXIXQHCBBRU-UHFFFAOYSA-N 447.495 4.293 10 20 IICD C[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 775262193 ZJRQSIUGNRXHOR-OAQYLSRUSA-N 429.564 4.403 10 20 IICD CCN1CCN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)cc2)CC1 776804974 JMTTVIPMOWDDAR-LJQANCHMSA-N 429.008 4.492 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1O 779044691 BRAOGNNEAINZOI-IFXJQAMLSA-N 432.362 4.086 10 20 IICD Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 782721427 LDHIDUCULOQJCF-UHFFFAOYSA-N 439.493 4.381 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 783315709 HQOJKQHKDXBHNO-UHFFFAOYSA-N 428.552 4.112 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1)c1ccc(N)cc1 783484532 FDSQQTJPNSUUOH-LJQANCHMSA-N 439.519 4.247 10 20 IICD COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(Br)c1 784105606 FRKFCTBDTPGXDK-UHFFFAOYSA-N 446.345 4.202 10 20 IICD C[C@H](O)CSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 788097318 IMYMEHVPRJPHAT-YQNUULROSA-N 447.507 4.212 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2)CC1 788466600 ZSMGMVQJXKUBAL-OAQYLSRUSA-N 441.572 4.032 10 20 IICD CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 791139161 YPARZQNZBAAPQK-DEOSSOPVSA-N 443.551 4.082 10 20 IICD CN(C)S(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(Oc2ccccc2)cc1 793324600 AGNGQXRKGBZKGI-UHFFFAOYSA-N 442.566 4.043 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1)c1cccs1 799191567 NITOEYBMZPZMAR-SNVBAGLBSA-N 427.454 4.207 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(-n4cncn4)c3)cc2Cl)C1 799930269 OKCHJSSQWFHFGH-KRWDZBQOSA-N 438.963 4.156 10 20 IICD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 800628125 TYFPIAHMXVJBGG-HNNXBMFYSA-N 436.443 4.357 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@](CO)(Cc4ccc(F)cc4)C3)cc2)CC1 812035234 GPFRVFUCWDTZOY-SANMLTNESA-N 439.575 4.199 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(-c2ncc3n2CCCC3)c1 812967469 HXEBLLALYRMWRW-UHFFFAOYSA-N 431.540 4.045 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(CCc3ccccc3)CC2)c1 813169852 VGTOUDUEYGORCJ-UHFFFAOYSA-N 436.596 4.272 10 20 IICD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)CC1 864007170 RPFDMAPIDAHXFL-UHFFFAOYSA-N 445.510 4.058 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 915316460 LADIXCUFMXXJOX-UHFFFAOYSA-N 446.617 4.226 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)cc1 916686387 HHTYHBVPFMTKGR-UHFFFAOYSA-N 446.617 4.192 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917714349 UUVSBPMPBCXNLW-HDICACEKSA-N 444.595 4.158 10 20 IICD COc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 917940312 DEKDTCPUZINPJH-HZPDHXFCSA-N 428.488 4.148 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 918140912 ADAUIXYFXMSQNZ-HUUCEWRRSA-N 428.533 4.048 10 20 IICD CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919860439 YPRBEQMZZIROQQ-UHFFFAOYSA-N 449.576 4.329 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1Cc1ccccc1Cl 919907737 LCELBATWCZUYAM-LJQANCHMSA-N 445.966 4.357 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 919916002 MGTFNPTWRBLPHW-SXGZJXTBSA-N 447.938 4.416 10 20 IICD CCCOc1c(Cl)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OC 920472070 IZPNOZVOUVPJNQ-SFQUDFHCSA-N 441.018 4.433 10 20 IICD C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 920880849 OCOPIIZMOKXARW-MRXNPFEDSA-N 441.528 4.189 10 20 IICD Cc1cc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)ccn1 1116853163 DFBNTMWWMIQZBD-RVDMUPIBSA-N 428.564 4.336 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc1 1318411310 SBQROJJYYFXLOF-XMMPIXPASA-N 443.547 4.445 10 20 IICD O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 16881012 UVXLQONSRVWTSH-NDENLUEZSA-N 449.557 4.249 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 24958217 NAEDIGCQLXTTNB-UHFFFAOYSA-N 432.524 4.110 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3NC(=O)c3ccsc3)CC2)cc1 108692218 AOANWCXQPJKNDC-UHFFFAOYSA-N 435.549 4.362 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1OCc1cccnc1 117012384 LUMFFBHSMRLMLJ-UHFFFAOYSA-N 442.519 4.402 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 303427088 AYLDYGXFOZJGMB-QGZVFWFLSA-N 435.490 4.315 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c1 726625144 DRLSCVUSUOVNMI-XDHOZWIPSA-N 431.535 4.135 10 20 IICD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 726717825 FJYVAZSZVNDHPH-XUVXKRRUSA-N 445.357 4.401 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 728524252 XUZOGDHNQBDCGX-LJQANCHMSA-N 436.581 4.105 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 729034773 QBDVPZDOMXRIDE-QGZVFWFLSA-N 433.508 4.256 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(C(C)C)cc3)cc2F)CC1 730134248 UXMSRDWSGNHGGC-UHFFFAOYSA-N 426.580 4.433 10 20 IICD COc1ccc(OC(F)F)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 732925689 DJOATEAPZXRVMP-OQLLNIDSSA-N 437.445 4.401 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 733098284 ZNSFOPJPJSTOHP-QLFBSQMISA-N 438.902 4.316 10 20 IICD CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 734426830 XTWFJZWOMXLQLB-UHFFFAOYSA-N 446.473 4.403 10 20 IICD Cc1nc(-c2cccc(NC(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)c2)cs1 741733986 COAVMXMFDPIPKH-UHFFFAOYSA-N 436.581 4.026 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798318 LTUXVOBAINNVEM-SFHVURJKSA-N 440.494 4.489 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)cs1 742799521 BUYJGDOLBCFXPZ-HNNXBMFYSA-N 432.496 4.447 10 20 IICD O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 743719905 ZSIOTSUPAMELDL-DEOSSOPVSA-N 428.532 4.449 10 20 IICD O=C(NCc1ccccc1O)Nc1cc(Br)ccc1I 748445198 VWULWACTVDXOMF-UHFFFAOYSA-N 447.070 4.081 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@@H](C(=O)N3CCCCC3)c3ccccc3)cs2)cc1 751929696 BIYOTAISMFANKJ-JOCHJYFZSA-N 435.549 4.227 10 20 IICD COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(Br)cc2O)c2nccn2C)c1 756390832 JEJGSOUGYBSZTD-ZUOKHONESA-N 446.345 4.346 10 20 IICD CCN(C)c1ccc([C@@H](C)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 765473616 ZAHKCVMWPDAHFY-LJQANCHMSA-N 429.630 4.256 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 766668470 JSALZXWOVXDACT-QFIPXVFZSA-N 430.464 4.346 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)cc1Br 768341442 KYZYRKUSUVNXSH-UHFFFAOYSA-N 431.374 4.205 10 20 IICD CN(C)Cc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 771370032 KLFLKLVSBBSNHS-UHFFFAOYSA-N 442.607 4.365 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(N(C)C)cc1 773858912 RRMKAVWZEGCFRN-OAHLLOKOSA-N 438.915 4.409 10 20 IICD Cc1cc([C@@](C)(O)CNCc2cc(Br)cc(Br)c2O)c(C)o1 776214120 JUYRYLTWZLRJDA-INIZCTEOSA-N 433.140 4.124 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1Cl 776467685 VFMPBFMABQPUCM-UHFFFAOYSA-N 445.350 4.254 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 779854948 QQXNRPMFMMPMBC-UHFFFAOYSA-N 429.542 4.458 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1Br 780395840 RLUCLFSVALCTOO-UHFFFAOYSA-N 441.347 4.346 10 20 IICD Nc1ccc(N(C(=O)C(=O)N2CCc3ccc(Br)cc32)C2CCCCC2)cc1 784058910 BLHSOOHVMSIIMZ-UHFFFAOYSA-N 442.357 4.286 10 20 IICD Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 786999031 MJJPJJLRNXLZRX-WIYYLYMNSA-N 425.548 4.183 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 788799105 RRCYRQBYBLKJCC-NRFANRHFSA-N 439.556 4.131 10 20 IICD C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1c(Cl)cccc1Cl 788935098 APYHMYCAOMJUDP-HNNXBMFYSA-N 434.367 4.130 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)O[C@H]1CCc2cccnc21 789677872 RYAWUFPZRKTGLU-DLEKYWELSA-N 430.576 4.355 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 801632199 IQGCLMXQTFHDJN-UHFFFAOYSA-N 431.558 4.075 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 802609865 LONXLXUNYVTTDY-FQEVSTJZSA-N 440.540 4.108 10 20 IICD COc1cccc([C@@H]2[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)CC(=O)N2C2CC2)c1 807840713 ICXVRASEIIJYNX-FXAWDEMLSA-N 449.334 4.076 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(C3(c4ccc(F)cc4F)CCCCC3)no2)c1 809519160 NEKHXFHUCBEPPF-UHFFFAOYSA-N 449.479 4.342 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C1(S(=O)(=O)c2ccccc2)CCCCC1 813490138 HKCRHUQZHYNSJD-UHFFFAOYSA-N 427.566 4.064 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)sc2n1 856689240 QILZXPUEZYNDRP-HNNXBMFYSA-N 438.553 4.280 10 20 IICD CN(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccccc1 864049533 IIVXWSUTBLQMHT-WJDWOHSUSA-N 447.379 4.313 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)s1 906485581 KSQLRJVYSKEUTF-UHFFFAOYSA-N 445.950 4.101 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc4c(=O)[nH]c5ccccc5n34)c2C)c1 915994004 ZHTVJRARVIKPAB-UHFFFAOYSA-N 443.532 4.262 10 20 IICD COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cc(Br)c1OC(F)F 917644213 VWILXBHYFPARSI-IZZDOVSWSA-N 436.299 4.423 10 20 IICD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 917697780 ORSPWMOLVIJAHI-SFHVURJKSA-N 427.570 4.102 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 917897755 ORVRIGQURBDHDE-UHFFFAOYSA-N 447.513 4.033 10 20 IICD CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 920060591 WAHZDBBHYCGKTN-RZUBCFFCSA-N 428.621 4.040 10 20 IICD C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(N2CCOCC2)cc1 920886958 SESPXYSQFRHFPH-CQSZACIVSA-N 428.330 4.258 10 20 IICD Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 921129021 IUQPYRMQFKBOBM-UHFFFAOYSA-N 438.380 4.110 10 20 IICD COc1cccc(N2CCC(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)c1 1324577238 KMVOCQHDNRIEKA-UHFFFAOYSA-N 436.600 4.496 10 20 IICD COc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 1325026287 KYNPRKKXTBCZGI-QRVBRYPASA-N 443.563 4.221 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(-c4c(F)cccc4F)n3)CC2)cc1 1341406647 JXMMKXRWWCJZLC-UHFFFAOYSA-N 429.492 4.449 10 20 IICD COc1ccc(-n2c(C)cc(-c3nnc(-c4nn(C)c(=O)c5ccccc45)o3)c2C)cc1 1345603121 WJXFCAYJLHUGTA-UHFFFAOYSA-N 427.464 4.067 10 20 IICD CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791259612 BSNQAKNSQZWGPQ-UHFFFAOYSA-N 446.551 4.350 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccccc3F)C2)cc1 1842699930 UBJRWOFECUCMDW-UHFFFAOYSA-N 445.538 4.293 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)c2c(c1)OCO2 195618007 SIPZLZGSZLPFDA-UHFFFAOYSA-N 431.330 4.440 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 726614241 PWIRVJDDYBKIHC-SFHVURJKSA-N 442.991 4.143 10 20 IICD O=C1CSc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2N1 726694572 OYDNMQDGBZODTK-UHFFFAOYSA-N 448.495 4.123 10 20 IICD C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1ccc(N2CCOCC2)cc1 728209704 OAUMUAOPPZVQAY-AWEZNQCLSA-N 428.330 4.258 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 728960834 RLMQJYXQFXQBBK-LJQANCHMSA-N 443.613 4.164 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1F 731408774 FNKHSBNKXMBWBB-UHFFFAOYSA-N 440.544 4.414 10 20 IICD O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)N(Cc1ccco1)Cc1ccccc1O 732469684 KTAKZHXHBASVKG-IBGZPJMESA-N 439.899 4.156 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 732900084 XPXJYDYJWPWCAL-FQEVSTJZSA-N 445.454 4.101 10 20 IICD COc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CCC(=O)N2C)cc1 734424258 BDBZYDPWHSVVHX-AHWVRZQESA-N 449.595 4.254 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1C[C@H]1c1c(F)cccc1F 734866277 ABBZTMYLEQEUNU-VQIMIIECSA-N 437.437 4.390 10 20 IICD COc1cccc(C[C@]2(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@H]3CC[C@H]2C3)c1 735463021 BADCMBIKVMWUNS-WCYRKSIYSA-N 434.580 4.197 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)c2C)c1 739936937 RRTSKUUVNPIDBV-UHFFFAOYSA-N 449.502 4.125 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1ccccc1S(=O)(=O)N1CCCCC1 740800930 ISDUZWCBCJBGJT-UHFFFAOYSA-N 441.597 4.494 10 20 IICD Cc1cccnc1[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(C)C 741789209 XVXIOFBDBBXZFD-HSZRJFAPSA-N 427.504 4.091 10 20 IICD Cc1cc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c(C)n1-c1ccc(F)cc1 742190812 TWTZRIBYCBACBU-UHFFFAOYSA-N 442.292 4.197 10 20 IICD O=S(=O)(c1ccc(CCNCc2ccc(N3CCCCC3)cc2)s1)N1CCCCC1 742381120 PEWZYDDTFNSMFP-UHFFFAOYSA-N 447.670 4.245 10 20 IICD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742797827 HLLBAXAKNKFLCS-CQSZACIVSA-N 437.468 4.074 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 743081525 DQZMTTNMXPNIIM-UHFFFAOYSA-N 436.331 4.253 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(F)c(F)cc2I)c1 743230254 OGDBBYVHODRMJG-QMMMGPOBSA-N 448.207 4.166 10 20 IICD O=C(Nc1nc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cs1)c1ccco1 743428979 UUOYSZLWCIAVOH-UHFFFAOYSA-N 437.477 4.059 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccncc2)cc1 746424559 DFMLGYWXTOVKNY-FQEVSTJZSA-N 430.552 4.488 10 20 IICD CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 748296446 MHWBATNLONRIQY-LJQANCHMSA-N 440.437 4.155 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2c1 751647048 WFXVVYYUKBVOOZ-UHFFFAOYSA-N 435.499 4.027 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(N2CCCC2)c1 755310809 QHTICOCKEWJZHT-FQEVSTJZSA-N 436.600 4.056 10 20 IICD CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)NCc1ccc(N2CC=CC2)cc1 758519536 WCIACXFMXMIQSI-UHFFFAOYSA-N 434.462 4.133 10 20 IICD O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(O)c1O 758559726 GGKVDHSMBUCVGK-IBGZPJMESA-N 442.811 4.196 10 20 IICD COc1cc(N2CCN(C(=O)CCCCc3ccc(C)cc3)CC2)cc(OC)c1OC 759222524 SWNGTRDRWAVGGL-UHFFFAOYSA-N 426.557 4.082 10 20 IICD CN1C(=O)N(CCCSc2nccs2)C(=O)[C@H]1c1cccc(Br)c1 761301888 UTQYSFCEFIQNRJ-CYBMUJFWSA-N 426.361 4.023 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3cc(F)cc(F)c3)no2)c1)c1cccs1 761594202 LACXWZROVSHUNI-UHFFFAOYSA-N 435.433 4.250 10 20 IICD Cc1cccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)c1 764913286 KQHQDVIBFLGCLJ-NBGIEHNGSA-N 444.019 4.209 10 20 IICD C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1Cl 765322595 MCYDZEBYHGTNSQ-HXOBKFHXSA-N 443.975 4.145 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1 768026073 VCXIAAJPSHFHDE-UHFFFAOYSA-N 447.583 4.124 10 20 IICD COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC 775408146 XEFCOORVMOKXAV-HNNXBMFYSA-N 427.545 4.245 10 20 IICD COc1cc(O)c(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1OC 775756581 NVMIGCKFIAZRJE-UHFFFAOYSA-N 427.522 4.137 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3scnc3C(=O)OC)sc2C)cc1 777665766 QOIYDUAFSBNYMS-UHFFFAOYSA-N 437.568 4.115 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cc(Br)ccc1=O 777823420 SIFMJFBIKWHNKC-MRXNPFEDSA-N 441.325 4.106 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4c(F)cccc43)cc2F)C[C@@H](C)O1 778621377 VRWCUICNIMOXOD-MRUHUIDDSA-N 445.510 4.292 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(OC)c(C(C)C)c(OC)c1 781357045 JWPAAQAFOKPQCU-UHFFFAOYSA-N 435.904 4.002 10 20 IICD CCCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 782555114 HICNCTUZJLFUOO-UHFFFAOYSA-N 436.531 4.073 10 20 IICD CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 783015630 DCESHQPZRUONDE-CVEARBPZSA-N 427.504 4.097 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 783315069 SFJSWIRMRUJLTQ-UHFFFAOYSA-N 428.583 4.313 10 20 IICD COCCCOc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483263 QFLWAYWCURKEIW-LJQANCHMSA-N 447.535 4.417 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1F 785076523 BOIBYKYYDHMVIT-UHFFFAOYSA-N 427.520 4.032 10 20 IICD Cc1cc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c(C)n1-c1ccccn1 787785529 JURUOJGDOPGGBN-UHFFFAOYSA-N 446.551 4.268 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cc(Cl)nc(Cl)c1)c2[N+](=O)[O-] 787932242 RXZVZMYANVHXFG-UHFFFAOYSA-N 442.214 4.324 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccnc3OCc3ccccc3F)CC2)cc1 790376109 WVQWSLGOLJBYHG-UHFFFAOYSA-N 435.499 4.161 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 795543288 BZTKJAQRDBOSJM-UHFFFAOYSA-N 430.960 4.481 10 20 IICD C/C(=C\c1ccccc1C(F)(F)F)CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 800240221 XLCINUFUPOSPLF-SAPNQHFASA-N 438.515 4.133 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)OCC(=O)N4C)cc2Cl)C1 800567374 JQKMVJZNEPJMRV-HNNXBMFYSA-N 442.947 4.253 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl 806860136 IEDIRVGXOQVHGY-KKSFZXQISA-N 432.948 4.067 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)n2)s1 807512385 VCSJLMMYTVGLBS-UHFFFAOYSA-N 442.349 4.447 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 807670527 GEWBYQOFZYUFGI-KRWDZBQOSA-N 430.552 4.035 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(F)c(Cl)cc1N1CCOCC1 808901727 JCJPFLVLJWGPII-UHFFFAOYSA-N 430.911 4.014 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 812985467 CIZPZYSTQQMJGW-XMMPIXPASA-N 436.512 4.061 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3c3cccnc3)cc2F)C[C@@H](C)O1 813591247 UTOWNPASRZBJGQ-YVHKJVDXSA-N 426.536 4.127 10 20 IICD C[C@@H]1CN(S(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)C[C@@H](C)O1 863991466 WMELEDDLJKVEDH-CHWSQXEVSA-N 445.368 4.109 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 915308779 FJVSSQCADMWTQC-UHFFFAOYSA-N 425.863 4.442 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)F 918208177 MEJWCGCFVPLXMA-NRFANRHFSA-N 447.526 4.447 10 20 IICD C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920880683 MGZLPDVTKQMKBW-LJQANCHMSA-N 429.520 4.267 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828485840 HOOJGZBBJDZBKH-BPAFIMBUSA-N 448.991 4.421 10 20 IICD C/C=C/C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)CC1 1838674179 HCHVJPXRGJMUQZ-SNAWJCMRSA-N 449.595 4.282 10 20 IICD CCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 108127088 ODCORLPWJUPIHF-UHFFFAOYSA-N 445.629 4.152 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(OCc2cn3ccccc3n2)c1 437026035 NHPPVILECLXWIY-UHFFFAOYSA-N 428.492 4.019 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccncc3OCC(F)(F)F)ccc21 466658507 WICQWWHEBBKBGD-UHFFFAOYSA-N 435.446 4.171 10 20 IICD Cc1c(CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n(C)c2ccccc12 471235763 USPNHRRLNLKYME-UHFFFAOYSA-N 448.573 4.303 10 20 IICD CC(C)CNC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl 542944351 MFKJGFCQPUYKBH-UHFFFAOYSA-N 430.936 4.223 10 20 IICD Cc1nc(-c2ccccc2)[nH]c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567506 PFZXSXXWZVSJLU-UHFFFAOYSA-N 426.467 4.385 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)COCc1ccccc1 726613852 RYBNUJCBIUIYCP-SFHVURJKSA-N 447.526 4.409 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1 728222293 DXMGLXPLXODSEL-UHFFFAOYSA-N 440.569 4.342 10 20 IICD COC(=O)C1CCC(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 730224423 QMJLLWDFLNOZIZ-UHFFFAOYSA-N 433.346 4.318 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(N4CCOC4=O)c3)cc2)CC1 731117240 ZDMYEMUGVDEFQH-IBGZPJMESA-N 436.556 4.440 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 731118890 JAPSGZYHAOLRCG-SANMLTNESA-N 445.563 4.463 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OC3CCCC3)cc2)CC1 731132095 SLINOTDDGDKQLT-UHFFFAOYSA-N 435.568 4.499 10 20 IICD COc1ccc(O)c(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 734018935 PIPKZMPQGHGAMT-UHFFFAOYSA-N 446.532 4.057 10 20 IICD CCC(CC)c1cc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)on1 741968675 XDBIKRXOGQLRRW-UHFFFAOYSA-N 447.447 4.192 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(CCOC)c2ccccc12 743808113 QRDKZNHAULFTLA-UHFFFAOYSA-N 431.330 4.418 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 743809045 LUACGZQVPHUTRU-INIZCTEOSA-N 448.357 4.492 10 20 IICD CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 744550885 OTMGBUQBSVPFST-OAHLLOKOSA-N 446.463 4.351 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)n2)cc1C 746805123 RFVJALJBHMRZDC-UHFFFAOYSA-N 432.549 4.058 10 20 IICD COC(=O)c1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c([N+](=O)[O-])c1 753125909 OXSHMKLNDXTXSV-UHFFFAOYSA-N 439.424 4.223 10 20 IICD COc1ccc2c(c1)CC[C@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)C2 753153165 NHEINHHJDHYCTI-IBGZPJMESA-N 445.510 4.122 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 756021319 QGMODKGJSWGGIC-HXUWFJFHSA-N 440.540 4.490 10 20 IICD CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)OC)cc3)SC2=S)cc1 758414460 ACXKFKHAJJTBND-ITRAFESCSA-N 443.546 4.431 10 20 IICD O=C(NCCCSc1nccs1)N1CCC(c2nc(-c3ccccc3)no2)CC1 759603254 SBEJZGJFJPCIBD-UHFFFAOYSA-N 429.571 4.265 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2ccccc2nc1Br 760304489 ZHJPMJNIYAVIRV-UHFFFAOYSA-N 442.313 4.080 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NCCCSc1nccs1 762759408 JWNUANJRPVHELV-BRWVUGGUSA-N 427.636 4.020 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)c(O)c(Br)c2)c1 764157508 PABLNGYWERMORT-QMMMGPOBSA-N 445.107 4.122 10 20 IICD CCOc1c(OC)cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1OC 765512833 CRFTXKFIJMHTBI-MRXNPFEDSA-N 434.964 4.443 10 20 IICD C[C@H](N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 765595538 MGAARMMPEVBSFZ-NLWGTHIKSA-N 435.584 4.349 10 20 IICD COc1ccc(N2CCC(NCCC(=O)Nc3cc(C)c(Cl)cc3OC)CC2)cc1 766418447 DAPGSWJLSKKBKU-UHFFFAOYSA-N 431.964 4.253 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 768911995 VGGNGOYCPSTCSK-CQSZACIVSA-N 437.945 4.018 10 20 IICD CN(Cc1ccccc1O)C(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 769280807 SULWYMBRPBNZLS-SZBWURDLSA-N 446.591 4.295 10 20 IICD CC(C)c1nnc(NC(=O)CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 769465238 UNANPAPFLYZIPG-UHFFFAOYSA-N 429.590 4.029 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1-c1ccccc1 775206494 BFFLPNKTMVHDQA-UHFFFAOYSA-N 446.510 4.094 10 20 IICD COc1cc(O)c(CNc2cccc(NC(=O)COc3ccccc3OC)c2)cc1OC 775746571 AAEJDUSXSMDELN-UHFFFAOYSA-N 438.480 4.048 10 20 IICD Cc1cc2c(cc1NC(=O)CCCN1C(=O)/C(=C/c3cccs3)SC1=S)OCO2 781204626 XMQJNHDFXUMREP-MFOYZWKCSA-N 446.575 4.405 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 783328165 RSDGWOOQJKIMKA-UHFFFAOYSA-N 448.445 4.288 10 20 IICD COC[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C[C@@H](C)O1 783969782 XKORXTKWWUSTJQ-ZBFHGGJFSA-N 443.927 4.363 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1OC1CCCC1 787208478 KFOQZYOVBRMXDX-UHFFFAOYSA-N 437.584 4.127 10 20 IICD O=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(OC(F)(F)F)c1 792699335 SFPLPXQNZRJIKT-UHFFFAOYSA-N 446.186 4.097 10 20 IICD Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 793869521 XAMMEBJBUVOPQC-GDBMZVCRSA-N 434.005 4.440 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1F 799926221 ZVBCIWJMAMRJKB-SFHVURJKSA-N 428.552 4.033 10 20 IICD C[C@@H]1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1Cc1ccccc1 804175390 VQPRCPUNFINVIH-APWZRJJASA-N 429.467 4.110 10 20 IICD COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 806458470 YMZBXXGNSKGLJC-PGRDOPGGSA-N 441.547 4.354 10 20 IICD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 807673792 ZGKFXKMLXVSTDK-FQEVSTJZSA-N 433.552 4.103 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902661 UCWUGBNJLKKRSL-UHFFFAOYSA-N 432.927 4.238 10 20 IICD O=C(NCc1nc2ccccc2n1C1CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 808928119 DOFIZPNUHFFMDX-UHFFFAOYSA-N 446.551 4.055 10 20 IICD COc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2Cc2cccs2)cc1 812358448 MEVZPCSLBVBPFQ-UHFFFAOYSA-N 436.537 4.318 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(Cl)nn2)c(C)n1-c1ccc(OC(F)F)cc1 815436199 SLXYIZKWXWQEQY-UHFFFAOYSA-N 435.814 4.179 10 20 IICD Cc1ccc2nc(CSCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)cn2c1 820006000 GCYGGLIHCXNPKS-UHFFFAOYSA-N 428.521 4.224 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H]1CCc2ccccc21 863856660 HSMRVWZBNBJNAM-HXUWFJFHSA-N 426.428 4.130 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(N2CCc3ccccc3C2)nc1 916432351 QIPIBZPPKPSTFS-UHFFFAOYSA-N 441.579 4.244 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2F)C[C@H](C)O1 917710087 APYPPVIHEBWEKL-ROUUACIJSA-N 448.542 4.044 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(=Cc2cccc(F)c2)CC1 918081868 VGIMKEHAEVMDHG-UHFFFAOYSA-N 427.495 4.190 10 20 IICD CCc1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)cc1 918221513 WBNOCWMFMVYBEC-UHFFFAOYSA-N 425.548 4.223 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1SCC(F)(F)F 918304537 YMPYIDUTIKVGRI-UHFFFAOYSA-N 425.476 4.004 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(F)ccc1Br 919895049 BQOZKPFZVJGHRM-UHFFFAOYSA-N 432.337 4.373 10 20 IICD CCCCS(=O)(=O)N1CCC[C@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1117203532 BFAQCZFLXQAXQP-FQEVSTJZSA-N 428.558 4.411 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)ccc21 1338511370 BEACTGLFXAQMHM-UHFFFAOYSA-N 425.460 4.253 10 20 IICD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c(C)o1 1845398221 LYNSDZDGELRWQN-UHFFFAOYSA-N 431.536 4.435 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3S(C)(=O)=O)c2C)cc1C 21247150 SQFLZSHUUNAIQQ-UHFFFAOYSA-N 439.533 4.154 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 24187681 KHRQMMZMNYTSAP-NRFANRHFSA-N 425.548 4.183 10 20 IICD Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C#N)cc1 303525049 QPGQUXHECSTRLG-HSZRJFAPSA-N 446.938 4.497 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)C1 462560740 WHWPFQKHMSCYLN-UHFFFAOYSA-N 429.564 4.187 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1Oc1cccnc1 472785846 IGLSGJVGRVIXCG-UHFFFAOYSA-N 428.492 4.237 10 20 IICD CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486075749 PYLXEMSGHBTBLO-LAUBAEHRSA-N 427.589 4.062 10 20 IICD Cc1cc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)ccc1NC(=O)C1=S=CC=C1 545680480 IQBQYMMMYIBNMF-UHFFFAOYSA-N 432.505 4.112 10 20 IICD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)oc12 559487521 JVKCMXGHMQJKBB-MRXNPFEDSA-N 433.508 4.125 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 606678980 BNWSCPSZRQCGBI-UHFFFAOYSA-N 427.957 4.363 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 726190249 WCZNWMANDQUXDT-HHHXNRCGSA-N 442.563 4.058 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(-c4cccs4)c3)CC2)cc1 726292147 VFPKOTNHDDKTJK-UHFFFAOYSA-N 435.549 4.101 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCCCS(=O)(=O)c3ccc(F)cc3)ccc21 728640307 WXYVXHCKTOCMJK-UHFFFAOYSA-N 447.528 4.064 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c1 729052697 SYOHRDYXYLKRHE-KRWDZBQOSA-N 434.492 4.318 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 730904354 PHXKKAIDJXNMBX-UTKZUKDTSA-N 443.519 4.103 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccccc2I)cc1F 731345692 FQMQDGYSDXDYRV-UHFFFAOYSA-N 426.273 4.207 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)Nc4ccccc4OC)no3)ccc21 731785131 WEPDBOZKQHTZEF-UHFFFAOYSA-N 434.496 4.144 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 734520932 REDAMSRNUUBCHV-AWEZNQCLSA-N 448.361 4.155 10 20 IICD C[C@@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 734937617 ZUIWGYFDSBQXMT-OKXSDPAFSA-N 443.613 4.453 10 20 IICD CC(C)c1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cs1 742750577 OKOUPBFEFDLVDD-QGZVFWFLSA-N 432.590 4.328 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2nccc3ccccc23)NC(=O)OC(C)(C)C)cc1 742752818 HKNDUVQAQXAZFH-OAQYLSRUSA-N 434.540 4.297 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@@H]1CCOc2ccccc21 743282016 ILXIDCROKNMHOJ-MWJIIQFGSA-N 438.509 4.131 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)cc1 743475249 PUQLGDCDQUSAQG-JOCHJYFZSA-N 445.510 4.051 10 20 IICD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 743551345 BELIOILDFQZMGO-PZJWPPBQSA-N 430.593 4.170 10 20 IICD COc1cc(Cl)ccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743597962 FPMQWASKGGHWKP-MRXNPFEDSA-N 439.890 4.418 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1Cn1ccnc1 745405339 SIEFSZRRCJXCDX-UHFFFAOYSA-N 443.345 4.131 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1)c1ccccc1 745788216 NGXZBGFTPHQNJC-QFIPXVFZSA-N 449.595 4.255 10 20 IICD COc1ccc(Br)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1 751356793 UGZWIQOOTHEJHS-UHFFFAOYSA-N 440.359 4.297 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Br)c(Cl)c1 751591451 ZAKLHSJPNDIXJU-UHFFFAOYSA-N 430.736 4.422 10 20 IICD COc1cc([C@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)ccc1OCCO 756458495 MXDNVYLRADXMPZ-NWDGAFQWSA-N 428.298 4.085 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 757592734 WLVBESLLJGVFAA-KRWDZBQOSA-N 430.504 4.484 10 20 IICD C[C@@]1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCS1 758605954 NBBUYNCVVBTQTH-BJRSVTDJSA-N 426.654 4.131 10 20 IICD COc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OCCC(C)C 760999338 LETSBKDQJHGNCA-UHFFFAOYSA-N 446.931 4.444 10 20 IICD CC[C@]1(c2ccccc2)NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O 761160688 QTEKGNCEDKDVEF-HSZRJFAPSA-N 429.467 4.114 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 764256228 YDAVYDUSTFQBIY-UHFFFAOYSA-N 433.556 4.013 10 20 IICD O=C(NCCc1csc(-c2ccccc2)n1)NCc1cccc(Br)c1O 764800429 OQEKDLTUSSICHG-UHFFFAOYSA-N 432.343 4.320 10 20 IICD CC(=O)Nc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc(C(F)(F)F)c1 767381667 IAGDZAVAWGBPGS-UHFFFAOYSA-N 448.489 4.447 10 20 IICD O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1 768863949 WKUQTYOMYLPKOR-UHFFFAOYSA-N 440.283 4.164 10 20 IICD CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccc(N2CCOCC2)c(F)c1 768910529 SGCGBNLDJSGLSX-UHFFFAOYSA-N 440.538 4.267 10 20 IICD Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@H]3COCC[C@H]32)cc1 769347773 ZMCMSFMPUBAFLU-CTNGQTDRSA-N 442.606 4.072 10 20 IICD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 769660735 SUMVDRFKBWVRBR-RUZDIDTESA-N 448.611 4.354 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 772798890 UOLIAWDLYUUNDL-CYBMUJFWSA-N 437.334 4.021 10 20 IICD C[C@@H](NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 773081424 RDRVYRJXUMGWGO-IAGOWNOFSA-N 440.481 4.183 10 20 IICD CCC[C@]1(COC)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 774830884 AFWQPNWQQVQTJO-JOCHJYFZSA-N 425.520 4.248 10 20 IICD COc1cccc(CNC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1O 775998876 WNAHEHYJTXZWFJ-FQEVSTJZSA-N 448.445 4.306 10 20 IICD CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCc2cn(C)nn2)cc1 776385967 JGNDSXIYRHJHIG-JXAWBTAJSA-N 439.519 4.273 10 20 IICD Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C 777651891 ZDIOCXJJVXFQFH-UHFFFAOYSA-N 429.292 4.097 10 20 IICD O=S(=O)(Cc1ccc(Cl)cc1Br)NCc1ccc(N2CCCC2)cc1 778609686 GRPIOLMWFVTKAD-UHFFFAOYSA-N 443.794 4.322 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782212880 LLTSECURVUZSDT-UHFFFAOYSA-N 440.956 4.319 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc(F)cc(Cl)c2)cc1 782429255 VXLSUCPACCGZCZ-UHFFFAOYSA-N 429.879 4.306 10 20 IICD O=C(Nc1ccc(-n2cccn2)c(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896734 UJHAFFSXXWTLSI-UHFFFAOYSA-N 436.487 4.017 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1 783837231 BFUPKWYDXMFPGK-UHFFFAOYSA-N 437.930 4.231 10 20 IICD Cc1cc(N2CCC(NC(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)n[nH]1 784670352 JHPCHQKKBNOLKF-UHFFFAOYSA-N 425.964 4.107 10 20 IICD COC(=O)c1sc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(C)c1Cl 788630469 JSDBSHMAXFMTMO-UHFFFAOYSA-N 443.974 4.336 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(CCC(=O)OC(C)(C)C)c3)CC2)cc1 791906452 OXWBZOOWANHFNJ-UHFFFAOYSA-N 439.556 4.324 10 20 IICD C[C@@H]1CCSCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 791907358 NZQCBAFMIDDBQQ-DKXRRRNBSA-N 426.654 4.084 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C 792272806 HQXPNIYVUUTLPR-MRXNPFEDSA-N 439.947 4.024 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)OCC(=O)N4C)cc2Cl)C1 800567375 JQKMVJZNEPJMRV-OAHLLOKOSA-N 442.947 4.253 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCC[C@H](COC)C1 812161994 CYAKFSAKLGOZTM-NRFANRHFSA-N 437.588 4.252 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nn(C)cc1Br 814730511 BTLOTBZYXZIDPX-UHFFFAOYSA-N 435.347 4.130 10 20 IICD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc(N4CCSCC4)cc3)n2)n1 917386892 MJNIQWFVVUUSOY-UHFFFAOYSA-N 441.988 4.021 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(OCc4cccnc4)c3)cc2F)C[C@@H](C)O1 917708732 IDPCOYCZAWVJKI-RTBURBONSA-N 449.526 4.343 10 20 IICD Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918137994 ARSCWUOVCSGZBD-UHFFFAOYSA-N 432.495 4.132 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCCOc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918203469 VBOHXIWLCWNUHV-QZTJIDSGSA-N 447.526 4.237 10 20 IICD CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)c1cc2ccccc2o1 919911737 SDYROBAZPPQTDR-GHTZIAJQSA-N 448.567 4.427 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C2CC2)cc1 921122171 SDKJSJGBWQYBPB-SFHVURJKSA-N 428.527 4.231 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1818959670 ZRZLRKOFOFLDLS-MRRJBJDNSA-N 446.935 4.216 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccn(C(C)C)n3)C2)cc1 1844816174 OEDAKXKUGRNCIY-UHFFFAOYSA-N 445.567 4.002 10 20 IICD Cc1cc(C(=O)CSc2ncnc3c2cnn3C)c(C)n1-c1ccc(OC(F)F)cc1 11495019 FZMKABKIAKXTOE-UHFFFAOYSA-N 443.479 4.347 10 20 IICD Cc1cc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(C)n1-c1ccc(F)cc1 33236181 HYNCLEAZRIDZBX-UHFFFAOYSA-N 431.393 4.225 10 20 IICD CCOc1ccc(O)c(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1 237087795 KOPISSGTHHWVIC-DEOSSOPVSA-N 425.550 4.382 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3nc(-c4ccccc4OC)no3)ccc21 464914613 FNFCCDXIDUDOJS-MRXNPFEDSA-N 448.523 4.454 10 20 IICD CN(c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1)C1CCCCC1 725866457 RLLUHUIIJZDGAS-DEOSSOPVSA-N 434.584 4.056 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cnnc4)cc3)c2C)c1 727520192 SYCZBIHIEGAPEC-UHFFFAOYSA-N 446.532 4.436 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 730535232 IMNRQGQRUSGSPY-GOSISDBHSA-N 448.654 4.466 10 20 IICD O=C(NCCCSc1nccs1)c1cnn(-c2ccccc2F)c1C(F)(F)F 733972385 FMUVWVZNKNGCGS-UHFFFAOYSA-N 430.452 4.399 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C)ccc3NS(C)(=O)=O)c2C)cc1 742090704 XGOABIKXNWCMGQ-UHFFFAOYSA-N 427.526 4.035 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 750628360 VHVDJVHFOCVSAC-UHFFFAOYSA-N 438.572 4.441 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1c(Cl)cccc1Cl 751096692 GOEXDBOYOPHEIN-ZBFHGGJFSA-N 434.367 4.115 10 20 IICD CC(=O)CCc1ccc(OCCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751302331 MRRVKXDJPPARKJ-UHFFFAOYSA-N 428.492 4.326 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 751935999 GIZBFQPPXXKOGW-UHFFFAOYSA-N 436.320 4.418 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)cc1F 753741222 DJPOVPUOOPAVAS-UHFFFAOYSA-N 428.435 4.108 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)CC2)cc1F 753744223 IWQZJYDMKZVWOO-UHFFFAOYSA-N 448.498 4.441 10 20 IICD C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(N2CCSCC2)cc1 765079000 IMNCBCCKOSSLNZ-GOSISDBHSA-N 432.033 4.420 10 20 IICD COC(=O)c1ccc(OC(C)C)c(NC(=O)NCc2cccc(Br)c2O)c1 765257887 MMLDZFWWEYRSGO-UHFFFAOYSA-N 437.290 4.050 10 20 IICD CC(=O)OCCCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 765367791 KHSFLXRRJCYIJW-JOCHJYFZSA-N 426.513 4.101 10 20 IICD COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)cc1 765904049 IVBMZQSUQDMACH-NRFANRHFSA-N 448.454 4.253 10 20 IICD CCOC(=O)c1c(NC(=O)CCN(C)Cc2ncc[nH]2)sc(C)c1-c1ccccc1 767116825 NLRKCAUMQRNSHK-UHFFFAOYSA-N 426.542 4.084 10 20 IICD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(Br)c1O 768170132 KYQBHVCOGHBNOC-UHFFFAOYSA-N 431.252 4.423 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 768911992 VGGNGOYCPSTCSK-AWEZNQCLSA-N 437.945 4.018 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H]1c1ccc(Cl)cc1 769914079 OIBMOQSSCUSXNN-QGZVFWFLSA-N 448.953 4.495 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c(C)n1-c1cccc(Cl)c1 770450828 OHKJNEMBWIBKSM-UHFFFAOYSA-N 430.980 4.450 10 20 IICD CN1CCN(c2ccc(/C=C(\Cl)c3nnc(C(=O)Nc4ccccc4)s3)cc2)CC1 771518684 VGWDVIWSDNRNBH-CYVLTUHYSA-N 439.972 4.279 10 20 IICD CC[C@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccc(N(C)C)cc1 773002545 WGDRTDQHOWOLQO-QFIPXVFZSA-N 425.573 4.115 10 20 IICD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 775727140 KHKDXBKUYIUNGH-DSFVOBFGSA-N 447.526 4.154 10 20 IICD C[C@H](NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(N(C)C)cc1 776166623 KHBRKAPOCGFYGV-JXQFQVJHSA-N 425.573 4.438 10 20 IICD CC(C)(C)c1nnc(CNCc2cc(Br)cc(Br)c2O)s1 776249153 RQVQWJDVPHAVCT-UHFFFAOYSA-N 435.185 4.356 10 20 IICD CC(C)Oc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)cc1 777473158 CUSTWZQXYVEICC-UHFFFAOYSA-N 425.308 4.458 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1O 779010651 FOENIAGWKZPKGH-KXBFYZLASA-N 447.373 4.223 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 779023906 WXBWEWHECRIVQV-GGAORHGYSA-N 431.621 4.068 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1O 779044689 BRAOGNNEAINZOI-AUUYWEPGSA-N 432.362 4.086 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@H](C)c1ncn(C)n1 780311611 BVFKTNUERCAXLT-KDOFPFPSSA-N 446.477 4.371 10 20 IICD O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(C(F)F)c1 780797472 BWFRDCDQUDTNDN-CQSZACIVSA-N 432.439 4.173 10 20 IICD Cc1ccc(N2CCNC2=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 786285636 XMRXNXKEWOMDKK-UHFFFAOYSA-N 447.539 4.418 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1Cc1ccc(F)cc1F 790231948 VPHIZPPICVIYLR-UHFFFAOYSA-N 439.510 4.176 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 792881290 GIFYFALMDBKULP-GGAORHGYSA-N 425.548 4.170 10 20 IICD COc1ccc(CN(CCc2ccccn2)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 792951831 JNRBVPAUIUFCLM-UHFFFAOYSA-N 444.579 4.427 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nncn2C(C)C)c(C)n1-c1cccc(Br)c1 795625425 NTJZZCQUZGXJMS-UHFFFAOYSA-N 444.377 4.344 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)s1 797151942 WIUJZFFGKSLRAE-BBBLOLIVSA-N 445.358 4.022 10 20 IICD CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(O)n1 800049588 RBLUPACGLKFJQR-AWEZNQCLSA-N 449.020 4.351 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 802609515 DMCSDIFDNFPYSD-UHFFFAOYSA-N 434.496 4.087 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2cnn(C)c2)n1Cc1cccs1 802697458 SHRDYRBTWDGXEB-UHFFFAOYSA-N 447.612 4.415 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnc1N1CCCC[C@H]1C 804253007 UGFHFUYOISPABW-OAHLLOKOSA-N 428.920 4.097 10 20 IICD CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 804990038 SYKUXDYYOVYPMS-LAUBAEHRSA-N 427.545 4.052 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Cc3cncc4ccccc34)cc2F)C[C@@H](C)O1 805167376 DVIYEUBJBJIMRO-QRVBRYPASA-N 435.543 4.483 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3nc(C4CCOCC4)cs3)cc2F)C[C@@H](C)O1 806725597 QVPZZEYQRAJBTL-HUUCEWRRSA-N 448.564 4.112 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc2ccccc2[nH]1 913962244 LYMOBKHBZZRLKH-RVDMUPIBSA-N 428.564 4.245 10 20 IICD COCc1cccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 916064065 WFPIFMXWYBYIBN-PDGQHHTCSA-N 446.619 4.192 10 20 IICD CCN(CC)Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916215624 VYDSKZZRJHFIPK-QHCPKHFHSA-N 425.573 4.125 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(Cc4ccccc4)c3)cc2F)C[C@@H](C)O1 918080437 CUDQQPFBXSIUPW-QZTJIDSGSA-N 437.519 4.006 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cn2)cc1C 918267748 ZJVHVRGQPFVNKU-UHFFFAOYSA-N 444.535 4.346 10 20 IICD COCCCOc1ccccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 919775660 WJMFEVZLGBZAEX-QZTJIDSGSA-N 445.535 4.176 10 20 IICD CCc1ccc(NC(=O)c2nnc(CN(CC)c3ccc(OC)c(OC)c3)s2)cc1 921061657 JIXKNASNAHGGOX-UHFFFAOYSA-N 426.542 4.397 10 20 IICD Cc1ccc(C)n1-c1ccsc1-c1nnc(Cc2csc(N3CCOCC3)n2)o1 1329062172 IPDAUWIJBSJNOW-UHFFFAOYSA-N 427.555 4.090 10 20 IICD O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(Br)cc(Br)c1O)C2 1341775079 GSFQCTQBFRINLD-UHFFFAOYSA-N 428.080 4.341 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1)c1cc(O)nc(O)c1 1791535846 OPNNXYFQMUXSOV-NHCUHLMSSA-N 443.503 4.044 10 20 IICD CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1800719205 YMXICMJKROAOOW-FJJAOAGESA-N 448.991 4.465 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(F)F)n[nH]2)cc1 1816840735 MBVOCKGVVIXTGM-IBGZPJMESA-N 441.482 4.388 10 20 IICD Cc1cc(C(=O)NCc2nnc(S)n2C2CC2)c(C)n1-c1cccc(Br)c1 111196596 BNZKWZUYFINNCA-UHFFFAOYSA-N 446.374 4.002 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ncnc5sccc45)CC3)c2C)cc1 219595893 KSGQOYFYILMYRJ-UHFFFAOYSA-N 447.564 4.070 10 20 IICD O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 228081384 TVKRYLWVRZYMER-MDNUFGMLSA-N 428.504 4.142 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3F)cc2)n(C)c2ccccc12 472790040 PLPCSYABLKTTMS-UHFFFAOYSA-N 445.494 4.460 10 20 IICD C[C@H](NC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 733642163 DJHAUFUAPYFNBO-IBGZPJMESA-N 426.630 4.168 10 20 IICD CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 735271670 SLLXZZAWXHWSQK-LJQANCHMSA-N 431.374 4.171 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C 735368729 DPZXHVLABJHUDB-UHFFFAOYSA-N 443.525 4.290 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 736376222 QHWJKUAJJNCVMB-IERDGZPVSA-N 434.005 4.469 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1C[C@@H]1Cc1ccccc1 741625950 BIDMSOGQPSZADQ-NQJJYEPNSA-N 442.631 4.477 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2)C1 741913362 HQWYDWTWNGAQOX-LPTQZCDUSA-N 446.378 4.115 10 20 IICD CCCn1c(=O)n(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc21 743430070 FHDPWYBWKJSXGS-UHFFFAOYSA-N 433.508 4.131 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(c2ccc3cccc(O)c3n2)CC1 743719589 JQLFORTVFJNUIH-UHFFFAOYSA-N 431.536 4.058 10 20 IICD C[C@@H](NC(=O)NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(N2CCOCC2)cc1 745179278 IATNTKRWLBOJGN-MRXNPFEDSA-N 426.948 4.261 10 20 IICD Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 745691839 OZRUHQBHAGDWTR-LADGPHEKSA-N 434.584 4.134 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OC1(C2CC2)CC1 747773573 SEEKSULOQDKOHJ-ZROIWOOFSA-N 438.368 4.136 10 20 IICD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1 748307362 KUVJNBRNCXHJFP-UHFFFAOYSA-N 427.482 4.128 10 20 IICD COc1ccc(N2CCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)CC2)cc1 755040541 KYOPTTDIPYAFQY-UHFFFAOYSA-N 427.353 4.375 10 20 IICD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1Cl 755962741 XBEWIELYFHWRDU-UHFFFAOYSA-N 445.349 4.319 10 20 IICD C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cc(F)cc(F)c1O 756430769 LAPFHSVOTHTCIX-INIZCTEOSA-N 442.485 4.382 10 20 IICD COc1cccc(C2=CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)C2)c1 758384868 UYGSNXULGQJBPL-HDICACEKSA-N 439.531 4.057 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(-n2cnc3ccccc32)cc1 761203329 XWKZBLMYCXTLJG-UHFFFAOYSA-N 446.894 4.349 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 765638730 OOAQSAUSIXZHBN-INIZCTEOSA-N 431.964 4.333 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N2CCOCC2)c(F)c1 765703378 IAGYDHATAWQFFZ-QFBILLFUSA-N 448.380 4.354 10 20 IICD COc1ccc(N2CCC(NC(=O)N3Cc4ccc(Br)cc4C3)CC2)cc1 765881011 LTWBOMVZZXGXLW-UHFFFAOYSA-N 430.346 4.152 10 20 IICD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 766243110 ZHCYXUXBUXMPOX-HZPDHXFCSA-N 430.480 4.286 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1-c1ncco1 766334561 TWNTWBJEWPYVPI-UHFFFAOYSA-N 431.448 4.116 10 20 IICD CC(C)(C)n1ncc2c(O)nc(NNC(=S)Nc3ccc(Oc4ccccc4)cc3)nc21 769796028 WFNHOLJHSDYVJP-UHFFFAOYSA-N 449.540 4.393 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccc(F)cc1[N+](=O)[O-] 770880885 KAFLXNHPVZNSNA-UHFFFAOYSA-N 448.498 4.351 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(N(C)C)cc1 776236623 AEFCZPUAISUVAL-LJQANCHMSA-N 430.552 4.134 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2cc(Br)cc(C)c2O)N(C)C)cc1OC 779029852 KSVJZPPEYGUXQO-RDTXWAMCSA-N 437.378 4.434 10 20 IICD COc1cc(OC)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1F 783484436 CGQPYHNHNJASHF-OAHLLOKOSA-N 437.471 4.158 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3cccc(OC4CCCC4)c3)cc2)CC1 786258779 HCMOHQMVKZXJLU-SDNWHVSQSA-N 447.579 4.006 10 20 IICD CC(C)c1cccc2c1CCN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)C2 788743456 IRHJNCRKAULMOR-UHFFFAOYSA-N 425.548 4.178 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2Cl)SC1=S 790587138 PZWZNCVPSZFVOT-WJDWOHSUSA-N 449.985 4.431 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1C(F)(F)F 790953889 BMTTYFKGZNDFCS-UHFFFAOYSA-N 437.462 4.156 10 20 IICD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc1Cl 795290639 NVTBVEOGNFWBKK-UHFFFAOYSA-N 436.942 4.179 10 20 IICD CCOc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C 796403450 ZSCHHHPAQDTKSP-UHFFFAOYSA-N 445.507 4.033 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc([C@H](C)O)s3)c2C)c1 798692136 VFXOVXCRCIUQDQ-AWEZNQCLSA-N 430.551 4.366 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2Cl)C1 800050319 SNCCKFRETJBDER-QGZVFWFLSA-N 436.943 4.052 10 20 IICD COc1ccc(C2=NO[C@H](CNC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)C2)cc1 802358527 BUSLNLGZMFFYED-QHCPKHFHSA-N 436.556 4.020 10 20 IICD CCN(C)C(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 806774876 KEBCJUKFGVUBTQ-SFHVURJKSA-N 446.498 4.170 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 807357001 JEEYSDVAFLDCIA-HXUWFJFHSA-N 434.418 4.346 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 807511721 UBOSZRRFSAFOGO-UHFFFAOYSA-N 439.629 4.209 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(N(C)C)cc1 808291149 FQUFSDHCEAYFLH-MGPUTAFESA-N 437.462 4.495 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 813685249 VAQCIUZVWZKHCO-UHFFFAOYSA-N 449.191 4.368 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=S 814269624 YOIYDDWPFIAKRU-CPNJWEJPSA-N 444.578 4.257 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc4cc(C)cnc34)n2)c1 861692366 BFVKTFJZPSKJQA-UHFFFAOYSA-N 441.534 4.485 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2F)C[C@@H](C)O1 916691676 BCTQOEKKBYNKLV-HZPDHXFCSA-N 441.482 4.086 10 20 IICD C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917064099 IZLFMYBCQZYWJW-ZACQAIPSSA-N 449.517 4.027 10 20 IICD Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cs2)o1 917711377 GDCYNNLFYBUVRT-HZPDHXFCSA-N 443.544 4.323 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc2ccccc12 918117359 CONDFQSSAGRSRY-RXVVDRJESA-N 430.552 4.102 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccnc2Oc2ccccc2)C2CC2)cc1 918456882 ONBMGKCJZBRUBC-UHFFFAOYSA-N 430.508 4.070 10 20 IICD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1 919988870 UQEFDFQSTFLEAU-NRFANRHFSA-N 425.916 4.262 10 20 IICD Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc12 920881131 DAOALHBTURJXHV-GOSISDBHSA-N 441.535 4.057 10 20 IICD C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 920882009 JIRVRRALTGOFRP-KRWDZBQOSA-N 439.556 4.130 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 921205640 BVIVFLUTTMSPCQ-UHFFFAOYSA-N 443.550 4.067 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)c(F)c3)cc2F)C[C@@H](C)O1 921280146 FHJMSUHNFJWWLP-BETUJISGSA-N 439.300 4.271 10 20 IICD O=C(Cc1coc(-c2ccccc2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1318165931 ISKQVEDIXKNTTA-UHFFFAOYSA-N 427.451 4.271 10 20 IICD C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1318956225 XSWQBMMAUAYOKL-CYBMUJFWSA-N 449.409 4.026 10 20 IICD CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1=O 110357480 QLDAUIYFEGFMQY-WOJBJXKFSA-N 449.595 4.347 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 302792904 NGBDHKDGRLVJGB-UHFFFAOYSA-N 433.942 4.391 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)Cc3ccccc3F)ccc21 486924907 JAQMOFSUWGZXJW-UHFFFAOYSA-N 425.548 4.248 10 20 IICD COCc1c(Br)cccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 726698510 XFVIBJSKZWKBBS-UHFFFAOYSA-N 448.361 4.395 10 20 IICD O=C(Nc1cnn(Cc2ccccc2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722047 MBUJQYLSGIUPAU-UHFFFAOYSA-N 441.482 4.323 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)COc1ccccc1C 726856422 LJXUVNBINZRXEE-GOSISDBHSA-N 426.538 4.182 10 20 IICD CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 727612946 MRQFZRFUMLMEKH-UHFFFAOYSA-N 427.520 4.200 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)c1 729063215 HTMQJWIIBFTINZ-OAHLLOKOSA-N 443.519 4.125 10 20 IICD CC(C)c1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 729600331 XEJRCDAFKFCDTI-NRFANRHFSA-N 436.600 4.246 10 20 IICD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1C 731628326 JAUSBHURNVYKOY-NRFANRHFSA-N 434.565 4.260 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 732569910 WADDDGZSXOIBLM-HSZRJFAPSA-N 428.580 4.181 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC(F)F 735329758 LOSJFXLAXWPEHM-FRKPEAEDSA-N 437.445 4.431 10 20 IICD COC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1Cl 735754419 OFICWIWMOWDVEY-KBPBESRZSA-N 449.910 4.201 10 20 IICD CC(C)(C)Sc1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 738921012 RQJDLIFDNJMPEV-UHFFFAOYSA-N 447.626 4.134 10 20 IICD COc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(SC)cc1OC 741300849 NDZAYMZURCSGHJ-MFOYZWKCSA-N 440.656 4.215 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(N2CCOCC2)cc1C 743093919 ZMIKWMWWVPAGOI-UHFFFAOYSA-N 448.361 4.354 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)cc1 743304698 UQVAXFAEHRFULM-SANMLTNESA-N 447.579 4.166 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)NC(=O)OC(C)(C)C)cc1 743725605 VPDKBQFCQREYEK-QSEAXJEQSA-N 449.595 4.339 10 20 IICD Cc1cc(I)cnc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 743802231 NFEMEHLHRPZGMC-UHFFFAOYSA-N 432.265 4.049 10 20 IICD COC(=O)[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1O)c1cccc(Br)c1 750045543 TVWALWRZNJIWRF-LJQANCHMSA-N 440.721 4.189 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1)C1CCCCC1 750253575 NEGZQWHEWDJXFA-UHFFFAOYSA-N 433.552 4.229 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 750862060 NVUZZRIXKFLWKU-UHFFFAOYSA-N 427.504 4.203 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3nc(Cc4ccccc4)no3)cc2)CC1 752969292 SAUPFZNTTGQBGR-LJQANCHMSA-N 433.556 4.457 10 20 IICD C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)cc(F)c1O 756550850 SVCYXDKRAGGPTR-AWEZNQCLSA-N 437.353 4.101 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1cc(Br)cc(Br)c1O 756769618 GVCRVEUTWZJQAF-DGCLKSJQSA-N 441.167 4.242 10 20 IICD C[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)c(F)cc1O 756802968 MLGWVCMODRUAGL-JTQLQIEISA-N 442.716 4.057 10 20 IICD COc1ccc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1Cl 757857910 XTNDYFVITVXPKX-KRWDZBQOSA-N 441.837 4.091 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 758415705 JXRSKLVGDVKSHF-NOMGLIDZSA-N 427.547 4.071 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(-n2nccn2)cc1C(F)(F)F 758585433 MWFAZVVMBWKVLP-UHFFFAOYSA-N 428.465 4.047 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2c(Cl)cccc2Cl)CC1 759225358 ZCSHRHCHXRILJS-UHFFFAOYSA-N 437.342 4.442 10 20 IICD COc1ccc([C@@H](C)NC(=O)NCCCSc2nccs2)cc1Br 759546310 PXSXXBQSTUNUAR-LLVKDONJSA-N 430.393 4.457 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cn(-c2ccccc2)nn1 761521754 OSJHVWGFSPEKTF-QGZVFWFLSA-N 439.479 4.499 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1OCC(F)(F)F 764856030 GCFDLLHBTHHMIZ-OAHLLOKOSA-N 442.453 4.463 10 20 IICD COc1ccc(CCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c(OC)c1OC 765678801 ACOPMJUPGVTMKG-MRXNPFEDSA-N 434.964 4.096 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CCC3CCCC3)cc2)C1 769037864 OQPISZQZUHCYPP-JTHBVZDNSA-N 426.605 4.033 10 20 IICD CC1=NN(c2ccc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2)CC1 770354318 FDZOQGLKGSXHGL-FQEVSTJZSA-N 426.948 4.026 10 20 IICD C[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 775253632 AEKVRASJIIFMPQ-CVEARBPZSA-N 436.383 4.358 10 20 IICD C[C@@H](NC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1)c1ccc(N(C)C)cc1 775406233 WHYQPJRLZZGEIH-QZTJIDSGSA-N 448.567 4.394 10 20 IICD CC[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)ccc1O 775508568 CSUNVBMYNIAOPC-DOTOQJQBSA-N 442.737 4.354 10 20 IICD CCCCC[C@H](CC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775669174 GZFFADRQRVSUCC-FQEVSTJZSA-N 427.568 4.165 10 20 IICD Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2S(C)(=O)=O)c(C)n1-c1ccccc1 775914963 DOBRCVOKAPFLKA-UHFFFAOYSA-N 445.924 4.191 10 20 IICD Cc1c(C(=O)O)cccc1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 776743683 LJJFMUGUSHGFFC-UHFFFAOYSA-N 440.502 4.476 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 778620521 MSZJFEAHBOSMKO-KKSFZXQISA-N 434.005 4.469 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cnn(Cc4ccc(F)cc4)c3)SC2=S)cc1 780143640 RCSSEZVYDRUXKT-KEBDBYFISA-N 439.537 4.481 10 20 IICD CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 780714582 ZPQZGDPTLJRQQV-VXKWHMMOSA-N 441.547 4.463 10 20 IICD O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895466 DFZCLUIPAPFPAB-UHFFFAOYSA-N 436.537 4.211 10 20 IICD O=C(Nc1ccc(CCN2CCCC2)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895666 CKCNQKHDWYKYCY-UHFFFAOYSA-N 449.595 4.331 10 20 IICD C[C@H](NC(=O)CCc1cc(F)ccc1Br)c1ccc(N2CCOCC2)cc1 783933480 NJKKHDYGGCUEKI-HNNXBMFYSA-N 435.337 4.235 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 788300827 FCMFFMGOBAOYAJ-UHFFFAOYSA-N 435.977 4.398 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)cn1 790107192 CQFJEGSANOKOFS-UYRXBGFRSA-N 443.594 4.357 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1 792110606 JULCCJANCLWQKK-INIZCTEOSA-N 448.539 4.460 10 20 IICD COc1ccc(CNC(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c(O)c1 792848928 JNYKRJYBLRCXOO-UHFFFAOYSA-N 448.445 4.222 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 792881288 GIFYFALMDBKULP-FYYLOGMGSA-N 425.548 4.170 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC 799183306 JGNITIOZZLYLRN-UHFFFAOYSA-N 432.523 4.023 10 20 IICD C[C@@H](NC[C@H](O)c1cccc(Br)c1)c1cc(Br)cc(F)c1O 800496093 JFRBMKIALIDIRV-PSLIRLAXSA-N 433.115 4.441 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804332544 LTGNQWLTPGVORA-FOIQADDNSA-N 435.490 4.462 10 20 IICD CN1CCN(c2ccc(/C=C\c3cc(C(=O)O)nc(-c4ccc(Cl)cc4)n3)cc2)CC1 806577728 YOXLPRWUNNZMGS-MBXJOHMKSA-N 434.927 4.417 10 20 IICD COc1ccc2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2c1 806847564 SSLXAPSCQGQION-UHFFFAOYSA-N 431.536 4.436 10 20 IICD CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1cc(Br)cc(Br)c1O 815632380 KZWUTBFZBKMKBT-MNOVXSKESA-N 436.188 4.120 10 20 IICD NC(=O)Nc1cc(NCc2cc(Br)cc(Br)c2O)ccc1F 816623671 HRJPAKQIWDSTHW-UHFFFAOYSA-N 433.075 4.159 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)OCCCO3)c(C)n1-c1ccc(Br)cc1 818403184 CJGLZCFMAYOARV-UHFFFAOYSA-N 433.346 4.226 10 20 IICD CN(C)c1ccc(CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C2CC2)cc1 914439705 NVYKULWDSKWRJC-FQEVSTJZSA-N 429.973 4.400 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1[N+](=O)[O-] 916110522 QHNXIZAFMHGCJJ-UHFFFAOYSA-N 447.450 4.381 10 20 IICD O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294321 FPAWNAVGKXXCOH-QHCPKHFHSA-N 446.503 4.331 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 918311928 WRRTVOZEIDVXLX-UHFFFAOYSA-N 437.540 4.171 10 20 IICD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 919860162 PCAQOUASMCYYJT-UHFFFAOYSA-N 446.482 4.104 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)cc(OC)c1OC 5976804 CCLOZCLDSCRKRK-UHFFFAOYSA-N 427.545 4.364 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCCc1ccc(F)cc1 14805148 PIAMMQIOBLRLLU-OAQYLSRUSA-N 439.556 4.319 10 20 IICD O=C(CSc1ncnc2sccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15277226 JFDMZCWZDPKCEG-UHFFFAOYSA-N 431.498 4.198 10 20 IICD COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)c(I)c1 471229651 DIKXAPIBPGDTKG-UHFFFAOYSA-N 434.277 4.030 10 20 IICD Cc1cccc2c1CCN2C(=O)Cc1c(C(=O)N2CCc3c(C)cccc32)c(C)cn1C 683834868 NAIMEZXETNSPGG-UHFFFAOYSA-N 427.548 4.285 10 20 IICD C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 725869105 RSFHETNGRQICFI-AWEZNQCLSA-N 440.346 4.400 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 727168873 ZCKSHALKSBPFLX-GOSISDBHSA-N 446.494 4.285 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 729280138 NAFGXEIWWJQPNK-QGZVFWFLSA-N 432.520 4.284 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(C)n1-c1ccccc1Br 729361731 ZXUAQQQQUYORPI-MRXNPFEDSA-N 433.346 4.082 10 20 IICD CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(NC(=O)/C=C\c2cncc(F)c2)c1 729653398 RGSCPSHSVOYSNC-VRHVFUOLSA-N 434.446 4.473 10 20 IICD CCCS(=O)(=O)Nc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(F)cc1F 732067524 MVWACDZSCGUZOS-UHFFFAOYSA-N 448.495 4.171 10 20 IICD COc1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc(OC)c1OCC(N)=O 732892173 UBVJJKVDGOTTHC-UHFFFAOYSA-N 434.452 4.236 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(Cl)cc1 732918493 HCXGHKGGCLUKGH-QGZVFWFLSA-N 425.939 4.447 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2C)c1Cl 734406295 QHXOQDHQKCALSW-UHFFFAOYSA-N 429.369 4.091 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC 740604639 KAEZPHVWJMNIJL-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1N1CCOC1=O 743235027 VOEFCASEWKYONC-UHFFFAOYSA-N 438.528 4.306 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(-c2cccc(C)c2)c1C 743807484 BIKHNRLXTPXKHE-UHFFFAOYSA-N 429.318 4.015 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 747542683 VUEUPOQYEGOMGT-WOJBJXKFSA-N 438.572 4.053 10 20 IICD CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 747762011 QOUISQPBZSJGJY-FXAWDEMLSA-N 425.573 4.260 10 20 IICD Cc1cccc([C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(C)(C)C)c1 749556179 XLJOMMOMQNVKTI-FYYLOGMGSA-N 436.600 4.283 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1C 751211332 PGMHVPJRJAIELH-UHFFFAOYSA-N 444.987 4.426 10 20 IICD Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)Cc4ccc(O)c(O)c4)cc3)o2)cc1 753644458 OAMATKKKCAJZPG-INIZCTEOSA-N 429.476 4.484 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)CC2)cc1F 753885876 SMWAGQIWKMWOTO-UHFFFAOYSA-N 439.516 4.130 10 20 IICD C[C@@H](NCCCOC[C@H]1CCOC1)c1cc(Br)cc(Br)c1O 756604684 OYNFJFRASRRFIR-VXGBXAGGSA-N 437.172 4.011 10 20 IICD COc1cc(CN2CC[C@@H](N[C@@H](C)c3cc(Br)ccc3O)C2)cc(OC)c1 756645764 JQMYWASCSNBPLN-WMLDXEAASA-N 435.362 4.097 10 20 IICD CC(C)c1ncc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)s1 758416093 NMFGPHCQFQCXCI-LICLKQGHSA-N 432.592 4.482 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 759877716 ZCZXMWBMHJNLLY-MIBPYSDMSA-N 438.540 4.110 10 20 IICD C[C@@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1ccc(N2CCOCC2)cc1 760449406 HTSXIOJBMQBJAQ-LJQANCHMSA-N 430.552 4.142 10 20 IICD CCN(CC)[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccsc1 764763431 VSZGXWYNOYQXHB-INIZCTEOSA-N 426.380 4.099 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3csc(C(C)(C)C)n3)cc2F)C[C@H](C)O1 765658966 MMBIJDAOLULZNW-HOTGVXAUSA-N 448.608 4.235 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)c1 765812170 AQLFCCHFMGWERZ-UHFFFAOYSA-N 445.928 4.282 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(N2C(=O)c3ccccc3C2=O)c1 769564307 TXKOQOKHMJUYNG-UHFFFAOYSA-N 426.472 4.002 10 20 IICD CN1CCN(c2ccc(/C=C3\CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)cc2)CC1 771517966 LCAMDUGYPJETCP-SAPNQHFASA-N 440.469 4.111 10 20 IICD C[C@H](NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 773355655 XWXKIOAHBQTUQN-NRFANRHFSA-N 438.616 4.184 10 20 IICD Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(=O)oc2ccc(Br)cc12 775402273 CFCKKPQBJDFYPX-CYBMUJFWSA-N 429.314 4.421 10 20 IICD Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 775481867 RWPILXTYVQYGKZ-LJQANCHMSA-N 440.613 4.131 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 782733466 OXGXXNUOUYOEME-HNNXBMFYSA-N 431.505 4.427 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 788141700 FMKMOWDWDIANDO-NRFANRHFSA-N 439.987 4.337 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OCC)c(OCC)c1 791245872 GQYKJQJPHUFWAL-UHFFFAOYSA-N 442.556 4.486 10 20 IICD C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]2(CCO[C@H](C)C2)O1 797541187 CABUYUMNOAVSOE-YTZAWJCFSA-N 436.512 4.226 10 20 IICD C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CS2 800367582 YKMRPKQUHDYHSC-XMSQKQJNSA-N 438.509 4.038 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 806715232 DATBCEIOOPODMB-UHFFFAOYSA-N 432.515 4.310 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F 806846061 AUMRURUJDAKSDO-UHFFFAOYSA-N 439.890 4.037 10 20 IICD CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)s1 808537269 VOQMRSLEPOSXKI-UHFFFAOYSA-N 448.473 4.045 10 20 IICD CCS[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 809236329 MBVUETDCHFKANA-UGKGYDQZSA-N 443.613 4.055 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1(C(F)F)CCCC1 809368399 JKUPDXUXMZEAOX-ACCUITESSA-N 430.567 4.424 10 20 IICD Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)ccc21 906372464 FDIMGUPFYVFBBE-UHFFFAOYSA-N 443.550 4.353 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 917380853 OTCQXMUXLHTQFP-UHFFFAOYSA-N 432.364 4.491 10 20 IICD CC(C)(C)c1ccc(SCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917833588 BQWRLWQBLITGSL-LJQANCHMSA-N 439.625 4.094 10 20 IICD COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918026208 AHYARDSISRLHLA-GOSISDBHSA-N 438.572 4.016 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 918210689 WVIYMHXSWZYJJX-UHFFFAOYSA-N 430.955 4.107 10 20 IICD CCCc1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919772523 YJGMZWYGWBQDGO-UHFFFAOYSA-N 448.546 4.217 10 20 IICD COc1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OCC(C)C 1318339846 XTCJDJJPCUVYMB-IBGZPJMESA-N 429.580 4.472 10 20 IICD CC1(C)CCc2nc(O)c(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2C1 1319569559 CJDZYIWMGNHOMT-GOSISDBHSA-N 443.975 4.056 10 20 IICD COc1ccc(-n2c(C)cc(-c3nnc(-c4csc(N5CCOCC5)n4)o3)c2C)cc1 1328291956 JQLOODBIIVHMKV-UHFFFAOYSA-N 437.525 4.113 10 20 IICD CN(c1ccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2)cc1)C1CCCCC1 302956313 FCHLIERJPGCMRR-UHFFFAOYSA-N 425.548 4.421 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 726619493 ASGAWWZLPCFHCN-RTWAWAEBSA-N 444.373 4.282 10 20 IICD CCC(CC)(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1 726754203 PCBLQDNRIZNGKW-IBGZPJMESA-N 442.003 4.416 10 20 IICD COc1ccc(-n2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)n2)cc1 728839019 UQKCHXFFKKLJMM-UHFFFAOYSA-N 432.446 4.152 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(OCC(F)(F)C(F)F)nc1 729574162 NIEWDFHHHWGMCN-UHFFFAOYSA-N 426.414 4.283 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2ccc(C=O)cc2OC)cc1 732114546 GXDJQLSTISCPFI-UHFFFAOYSA-N 448.519 4.195 10 20 IICD O=C(NCc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C1CCCC1 735518995 NAGLLCBFUCIQIJ-HSZRJFAPSA-N 436.552 4.020 10 20 IICD CN(CCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)OC(C)(C)C 737241784 LXGXDCXVJVIUBJ-UHFFFAOYSA-N 439.516 4.414 10 20 IICD Cc1ccc([C@H](NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 741734551 GDVWXVSJGWYBEU-SANMLTNESA-N 449.620 4.231 10 20 IICD Cc1noc(C(C)C)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742750363 MHEUCXIUKKONFO-SFHVURJKSA-N 430.549 4.168 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c[nH]1 743045957 HQXIVCDQFOFAOM-UHFFFAOYSA-N 432.310 4.032 10 20 IICD C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743527908 CUYRUNXYMUNPGY-FUHWJXTLSA-N 433.499 4.283 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743540429 RGZGHIYLRMEAIF-ZBFHGGJFSA-N 437.462 4.465 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 743808393 RSBBTFLKPXDYEK-UHFFFAOYSA-N 447.373 4.479 10 20 IICD Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 745691840 OZRUHQBHAGDWTR-UPVQGACJSA-N 434.584 4.134 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCOc2c(OC)cccc21 745795109 RVJIKAWIFUVOAF-INIZCTEOSA-N 435.318 4.219 10 20 IICD Cc1csc([C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C2CC2)n1 745801137 WMQOGPBMBJYPQH-SFHVURJKSA-N 436.528 4.472 10 20 IICD CN(C)c1ccc(CN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)C2CC2)cc1 748172438 JBDQTBBFAFIYBW-UHFFFAOYSA-N 447.436 4.296 10 20 IICD CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406322 OJNDXNLMEOVDJX-CKDFRHGISA-N 426.532 4.294 10 20 IICD COc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 749914498 ZPKCYKZISBXBDL-MRXNPFEDSA-N 436.474 4.361 10 20 IICD Cc1cc(-c2nnc(N3CC[C@@]4(CCOC4)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752846090 UYYJQASYLGTSST-QFQXNSOFSA-N 447.583 4.006 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1F 753861992 BWDIDZDQMBZITJ-UHFFFAOYSA-N 429.826 4.443 10 20 IICD CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 755986472 SXKOCYUNKHVLLG-UHFFFAOYSA-N 440.587 4.167 10 20 IICD COc1ccc(OC)c(-c2csc(NC(=O)CN(C)c3ccc(OC)c(F)c3)n2)c1 757851282 HSQUUACRJJZMRI-UHFFFAOYSA-N 431.489 4.050 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1cccc(C(F)(F)F)n1 759621315 HFKYPUJUPGDVNR-UHFFFAOYSA-N 436.478 4.311 10 20 IICD C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Br)cc(F)c1O 760033359 JHMWTLKWRGWKBY-SECBINFHSA-N 436.730 4.202 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1ccccc1Cl)N1CCCC1 760945305 WONQSRMKOHAAJV-LJQANCHMSA-N 448.350 4.300 10 20 IICD Cc1cc(-c2csc(NC(=O)c3ccc4nnc(O)n4c3)n2)c(C)n1-c1ccc(F)cc1 763488543 XZSDZNAYABMAAS-UHFFFAOYSA-N 448.483 4.357 10 20 IICD CC(C)[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 764353642 ILNXVQGLTVAWOL-XMMPIXPASA-N 425.548 4.252 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(Br)c2O)c(Br)c1 765751233 BKJPAXQDKXRINA-NSHDSACASA-N 443.135 4.309 10 20 IICD C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 766238489 UGENSTBJQZOXGJ-ZBFHGGJFSA-N 442.503 4.150 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766487390 GLYOTWYTXARJNW-CQSZACIVSA-N 449.873 4.180 10 20 IICD CC(CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 766908784 DSLRTYBBVXLQPB-WOJBJXKFSA-N 438.616 4.290 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H]1CCCc3sccc31)c2[N+](=O)[O-] 767136041 CFXBCWJCTDCJJV-KRWDZBQOSA-N 432.457 4.239 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nn1CCCOc1ccc(F)cc1 767987139 WRWXATITUBUAOH-UHFFFAOYSA-N 449.530 4.498 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 769025938 ZASRQHJZSBRPIH-UHFFFAOYSA-N 426.542 4.022 10 20 IICD O=C(CNc1cc(Cl)cc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 774310366 LIBNAGWKNQXJEU-UHFFFAOYSA-N 445.844 4.063 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c(C)c1 775206490 BBTWVNKUJVXAMD-UHFFFAOYSA-N 431.539 4.276 10 20 IICD CN(CC1CC1)C[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1 775726236 QDSFGJDIHWIXAF-CYBMUJFWSA-N 432.200 4.081 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](c3c(F)cccc3F)C(F)(F)F)CC2)cc1F 776017870 UHKPEXMCNPSTFA-SFHVURJKSA-N 447.379 4.248 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CC3CC3)CC2)cc1 776067532 IYHMARKEPMKAFG-UHFFFAOYSA-N 448.567 4.129 10 20 IICD C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 778188903 UIEZGKYSGJKJEL-MRXNPFEDSA-N 439.516 4.460 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccc(O)c(O)c1)c1ccccc1Br 778919508 GADJVDXZWRBHBR-UHFFFAOYSA-N 441.281 4.043 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSCCSC(C)(C)C)cc2F)C[C@@H](C)O1 783537094 CEWGHIZBWVTNAB-HZPDHXFCSA-N 428.639 4.320 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc2cc[nH]c2c1 792580079 YVQNCFLGRKBVAF-UHFFFAOYSA-N 427.507 4.012 10 20 IICD CO[C@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 794181848 UNFWOSYFTHNBRE-FZWACIFYSA-N 438.640 4.147 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 802609680 HNIUELANDREJGW-UHFFFAOYSA-N 436.556 4.344 10 20 IICD CO[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 802754256 NOIGDTJZJSNHKP-RBBKRZOGSA-N 435.572 4.004 10 20 IICD Cc1cc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 804395877 YGHLNWLYKYBQOG-VQIMIIECSA-N 428.882 4.309 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1 806852894 FKYYHQAUGQWVEP-UHFFFAOYSA-N 432.496 4.335 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1COc2ccccc21 809378857 URSLVRTZCBSHFW-JVVDOCDTSA-N 444.603 4.022 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCO1 812434996 ZFYISPRBXQBMTO-FQEVSTJZSA-N 444.539 4.246 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)c1c(F)cccc1F 857455656 GOWKSBDPTQVFET-LBPRGKRZSA-N 432.364 4.443 10 20 IICD CN(C)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 913962476 ZNWQLNKFCMCUBL-GHRIWEEISA-N 431.608 4.434 10 20 IICD Cc1cc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)n1-c1ccccn1 914849173 HKAFRLUXFLHNRK-UHFFFAOYSA-N 448.836 4.134 10 20 IICD O=CN1CCc2cc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)ccc21 915995451 ZSAXXZGEYKRESB-OAQYLSRUSA-N 447.560 4.223 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(OC[C@@H]2CCCO2)c1 916624544 FJAGZYJBQBRBBE-QFIPXVFZSA-N 427.570 4.119 10 20 IICD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 916699505 IQSXWPBTQCEGLT-OAHLLOKOSA-N 437.399 4.115 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(N)cc2Cl)c(C)n1-c1ccc2c(c1)OCCO2 918760925 OXOZYAZFKVPLRW-UHFFFAOYSA-N 440.883 4.141 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc2F)C[C@@H](C)O1 919791087 AUGLZNIKNKMKHO-VWKPWSFCSA-N 445.510 4.292 10 20 IICD Cc1cnn(CC2CC2)c1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1318134276 AZXOFEKSZMWFCF-YBEGLDIGSA-N 446.623 4.283 10 20 IICD COc1ccc(N2CCN(C(=O)CS[C@@H](C)c3nccn3-c3ccccc3)CC2)cc1 1329478814 HDEJHLRHLYIMBC-IBGZPJMESA-N 436.581 4.024 10 20 IICD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCC1 1821292643 XCNMCHOPMNZLTJ-INIZCTEOSA-N 446.935 4.361 10 20 IICD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)o1 1846670541 LUKWPAMHDFLLGF-UHFFFAOYSA-N 431.536 4.055 10 20 IICD C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCOCC2)cc1 109179324 JSZJMGAHWLITDL-KRWDZBQOSA-N 435.549 4.328 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc21 302818568 TVEICOKCAANMNG-UHFFFAOYSA-N 433.942 4.173 10 20 IICD NC(=O)c1ccc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c([N+](=O)[O-])c1 303066413 VZSWKAXZYIEIOV-UHFFFAOYSA-N 436.415 4.412 10 20 IICD CCOC(=O)c1nn(C)cc1/C=C1\CCn2c1nc1sc(C)c(-c3ccccc3)c1c2=O 426912720 XXAKZCIKYHVIKS-FOWTUZBSSA-N 446.532 4.288 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3nc(-c4cccc(OC)c4)no3)ccc21 464929371 LRONKSVVLDKUFB-INIZCTEOSA-N 448.523 4.454 10 20 IICD Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OCC1CCOCC1 543883129 ZGJDWMOUQGHNFT-UHFFFAOYSA-N 425.529 4.297 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)ccc21 548642938 XUFMGLGUZMTWPF-QHCPKHFHSA-N 428.479 4.396 10 20 IICD CC(=O)c1cc(CNC2(c3ccc(F)cc3)CCCC2)c(O)c(CN2CCOCC2)c1 727166267 DMCJXRAHEJKOTH-UHFFFAOYSA-N 426.532 4.125 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCc1cccs1 727861506 VYCRWZOTSFVQQU-AQTBWJFISA-N 434.583 4.168 10 20 IICD CCCOc1c(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCC 728697931 JOJDMTUBUFFXKE-LFIBNONCSA-N 445.313 4.098 10 20 IICD CN(C)c1ccc(CN(Cn2nc(N3CCCC3)sc2=S)CC(F)(F)F)cc1 728903962 DACGPHYQIZSCFU-UHFFFAOYSA-N 431.553 4.362 10 20 IICD COCCCOc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 735328755 FEYODHJEVLFSSY-ODLFYWEKSA-N 429.519 4.236 10 20 IICD COc1cc(OC)cc([C@H](O)CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 735680822 IQYMGJSEVUTXMR-XMMPIXPASA-N 441.572 4.006 10 20 IICD CC1CCN(c2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)CC1 740492453 VZUQJCYZRBAMCV-UHFFFAOYSA-N 447.535 4.389 10 20 IICD CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 742416003 IGMBINJGHDHPND-UHFFFAOYSA-N 428.621 4.246 10 20 IICD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745904109 LWJHHGFACCQYGB-MRXNPFEDSA-N 434.443 4.007 10 20 IICD Cc1cccc(N2C[C@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)c1C 751302582 NNYBLHHELAWQIO-GOSISDBHSA-N 425.492 4.005 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(Oc2cnccn2)c1 753084735 QQAXVJSEXAWSQT-UHFFFAOYSA-N 448.523 4.271 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Br 755071807 XPIXUBXBFMLRSI-UHFFFAOYSA-N 429.767 4.181 10 20 IICD C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)c(F)cc1O 756351417 KBGSEWHXGVYRFM-BFUOFWGJSA-N 441.316 4.157 10 20 IICD C[C@H](N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)cc1Cl 766136863 KOWDYBNAEHTVTM-WZOHSFFVSA-N 444.019 4.117 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cccc12 766742761 BGZFTIWOLKMHED-UHFFFAOYSA-N 431.520 4.007 10 20 IICD C[C@@H](Cc1ccc(O)cc1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769440337 JYALFXBQCIAVRL-RVAQLADHSA-N 446.619 4.183 10 20 IICD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770383146 CCXIPQUOOUBYMN-IEBWSBKVSA-N 432.565 4.320 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1 770564596 XOZWGMDJEITWLY-UHFFFAOYSA-N 440.887 4.058 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Br)ccc1O 775490347 CBNFAFJFROOZQL-OXJNMPFZSA-N 446.389 4.097 10 20 IICD COC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1 777825954 BVGMPOFGAPYSSN-MRXNPFEDSA-N 434.448 4.491 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)c2C)c1 777836872 LWFUPYGTLCTFJH-OAQYLSRUSA-N 445.563 4.499 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(Br)cc(C)c1O 779038780 NCHMVPKWEZTCNQ-HOCLYGCPSA-N 426.376 4.366 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 782423562 AMCPNZFSNRPLRA-UHFFFAOYSA-N 445.519 4.032 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCc1ccc(F)cc1 790589893 GSXYHYLTGNLRSF-ZHZULCJRSA-N 446.544 4.245 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3OC(F)(F)F)SC2=S)cc1 790593336 ZIWAUINUDLWIFH-RIYZIHGNSA-N 442.415 4.229 10 20 IICD CN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1F 793371194 ULIYIDVTEKRWIX-INIZCTEOSA-N 435.259 4.496 10 20 IICD Cc1c(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cccc1-c1ncco1 793888484 HREWZASQEQKFIF-UHFFFAOYSA-N 437.455 4.476 10 20 IICD COC[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 802764371 VHVXCZKGIHPFQV-YADHBBJMSA-N 449.599 4.252 10 20 IICD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCCCSc1nccs1 806280224 BMOFCNGPAUFSHP-UHFFFAOYSA-N 445.532 4.198 10 20 IICD CC[C@H](CSc1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807688410 QUFRKIHFPOAXLV-LJQANCHMSA-N 438.549 4.201 10 20 IICD COc1ccc(Sc2nsc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)n2)cc1 809923459 NBOQTIIQOJBEID-NSHDSACASA-N 432.527 4.295 10 20 IICD CC(C)OCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 811914762 SCNSDHCNTBMCHH-CVEARBPZSA-N 449.983 4.445 10 20 IICD COc1cc(OC)cc(-c2nnc(N(C)Cc3ccccc3O)n2Cc2cccs2)c1 812354119 KFGBTGBBIRLJRG-UHFFFAOYSA-N 436.537 4.414 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1 814287098 LXZFGZFUYGWQOB-GRSHGNNSSA-N 431.535 4.122 10 20 IICD Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)ccc12 914454864 DXIVHYNSNJZUMG-UHFFFAOYSA-N 446.503 4.368 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 916503444 UHIIMFMPJQHUGE-UHFFFAOYSA-N 438.597 4.269 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(C)c4ccccc43)cc2Cl)C1 1256594723 OHPMIFKTUIADFC-VQIMIIECSA-N 425.960 4.343 10 20 IICD O=C(NCc1ccc(Br)o1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1324313952 WGXMFLJPDVMBCV-GFCCVEGCSA-N 444.276 4.112 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3nnc(C(F)F)n3c2)c(C)n1-c1cccc(F)c1 1333548790 JWZLJVMUHOPVJY-UHFFFAOYSA-N 442.397 4.253 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 104957339 HXZWACFWAAGAEO-RUZDIDTESA-N 446.595 4.305 10 20 IICD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C1 108016945 BEEYMKGTINLUKM-OALUTQOASA-N 441.597 4.206 10 20 IICD CN(Cc1ccccc1O)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 108245579 XQZLPHKMNIZBLV-UHFFFAOYSA-N 427.854 4.334 10 20 IICD Cc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 109383093 GBVMGXSWIPFYFW-UHFFFAOYSA-N 425.554 4.258 10 20 IICD COc1cccc(-c2ccc(CNC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2)c1 514208279 KVPDPQPGTANFOG-UHFFFAOYSA-N 441.531 4.095 10 20 IICD Cc1cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)ccc1NC(=O)C1=S=CC=C1 547109397 URTYSGNTHGBUGP-UHFFFAOYSA-N 427.489 4.114 10 20 IICD CN1CCCc2cc(CNCc3sc(N4CCOCC4)nc3-c3ccccc3)ccc21 727644668 PAEVOXUOMXIAJX-UHFFFAOYSA-N 434.609 4.319 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3cc(F)ccc3F)ccc21 728638130 WCKSTMMCOIUGDO-OAHLLOKOSA-N 430.451 4.367 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 729278291 OORGNHKWTIOVQW-SGTLLEGYSA-N 437.323 4.190 10 20 IICD COCCOc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1OC 731109240 PVJYHCCGBMNYKK-UHFFFAOYSA-N 427.545 4.278 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4cccc(CN5CCOCC5)c4)no3)ccc21 731804066 JBSBIQAEQOCOKI-UHFFFAOYSA-N 446.551 4.454 10 20 IICD CCc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)CC2)no1 731880098 FMIKVBSLKRUEFF-UHFFFAOYSA-N 435.572 4.121 10 20 IICD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 735516326 OKTGDOOQFIZMMI-LJQANCHMSA-N 447.491 4.329 10 20 IICD O=C(CCn1ccnc1)Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 735927366 PSQDMYIXUPMAGG-UHFFFAOYSA-N 444.491 4.053 10 20 IICD COc1ccc(N(CC(=O)N(C)Cc2cccc(OC)c2OC)Cc2ccco2)cc1F 739925889 DJLATUAAHDGADA-UHFFFAOYSA-N 442.487 4.110 10 20 IICD Cc1cc(CC(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 740793355 QLRCHQZTANLPAG-UHFFFAOYSA-N 444.984 4.352 10 20 IICD CCN(CC)C(=O)COc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 742379063 LBMTYBDAHBNMKC-UHFFFAOYSA-N 440.544 4.444 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798317 LTUXVOBAINNVEM-GOSISDBHSA-N 440.494 4.489 10 20 IICD CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 744124156 XIODQHRAZDFSNJ-UHFFFAOYSA-N 436.507 4.194 10 20 IICD COc1ccccc1-c1noc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 745920173 QYPCRSZMZHGCAC-KRWDZBQOSA-N 437.544 4.492 10 20 IICD CCOC[C@@H]1CCN(CC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)C1 747966522 JFYNZZNBCNYMDI-QGZVFWFLSA-N 430.570 4.197 10 20 IICD CCOc1ccccc1[C@@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)NC(C)=O 751303564 ZSFASRTYFWALLF-HXUWFJFHSA-N 443.507 4.001 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nc(-c2ccc(Cl)cc2)n1 751568480 LMEOZCOXIAIWLW-UHFFFAOYSA-N 436.943 4.214 10 20 IICD O=C(CCc1ccc(F)cc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 751630501 KMYSLQUCASPCHG-UHFFFAOYSA-N 428.401 4.069 10 20 IICD C[C@@H](NCCC(=O)N1CCCCCC1)c1cc(Br)cc(Br)c1O 756507120 BOEZGAIIQGDTSZ-GFCCVEGCSA-N 448.199 4.361 10 20 IICD Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCc2cccc(Br)c2O)cc1 764792561 WABICMUWXVHLHN-FXAWDEMLSA-N 433.346 4.430 10 20 IICD COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Br 765246533 URWIUTCXPFCJSP-QAPCUYQASA-N 446.389 4.010 10 20 IICD C[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(N2CCCCC2)cc1 765868654 RVEWXUWPBFORKF-SQJMNOBHSA-N 434.628 4.225 10 20 IICD Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC[C@@H]2CCCO2)c1 766574596 HLTCKABPCFYYEA-UGKGYDQZSA-N 428.548 4.379 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC=C(c2ccccc2Cl)CC1 768930693 OHLUPFPFLPUAIL-UHFFFAOYSA-N 443.950 4.439 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 772202629 UXIUHTHNZVRHEF-UHFFFAOYSA-N 441.531 4.144 10 20 IICD C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 773410872 YASSBJCDZKZYLY-LJQANCHMSA-N 435.543 4.322 10 20 IICD C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OCc2ccccn2)c1 775006284 GNZHLFBZYCNDLK-HXUWFJFHSA-N 432.568 4.036 10 20 IICD COc1ccc(Br)cc1-c1nc(COC(=O)c2cccc(O)c2O)cs1 776278787 GJHAWEVUAVRXDB-UHFFFAOYSA-N 436.283 4.349 10 20 IICD Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 776743487 ITTHACUTDGSLJM-UHFFFAOYSA-N 430.463 4.069 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 780052019 VFPYLFMMJYNWCW-UHFFFAOYSA-N 439.890 4.385 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N)cc1 783485238 IDPCSKXBHPYIAL-GOSISDBHSA-N 442.519 4.129 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cc2)CC1 787320492 WUXULEFNHZJQTK-UHFFFAOYSA-N 445.350 4.073 10 20 IICD CC1(C)Cc2cccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)c2O1 789703535 MCWPDQVONDZJIC-UHFFFAOYSA-N 442.427 4.336 10 20 IICD CN1C(=O)CCc2cc(/C=C3/SC(=S)N(CCc4ccc(F)cc4)C3=O)ccc21 790592650 UZWKQLAMOJSNQW-CPNJWEJPSA-N 426.538 4.179 10 20 IICD C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 793930224 JSGSSCKHDYFCOJ-OFNKIYASSA-N 449.595 4.005 10 20 IICD COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800719622 MFMWCUSQQLWPGD-GAJHUEQPSA-N 445.991 4.460 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1csc(-c2ccccc2)n1 806730845 AAPVADZETLBNDY-UHFFFAOYSA-N 426.517 4.232 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807193790 HZINIRLMLHNCRF-QMHKHESXSA-N 436.483 4.093 10 20 IICD CCNC(=O)[C@@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 914717252 GOUSBHOQKPYWGD-KAKMCVKYSA-N 442.563 4.042 10 20 IICD O=C(CCOc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457889 QQRMOBHYXJAFPM-UHFFFAOYSA-N 442.865 4.281 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1csc(-c2cnn(C)c2)n1 917191927 UZFFDBKXAMDWAX-UHFFFAOYSA-N 439.566 4.491 10 20 IICD COc1ccc(N2CCCN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 917210245 KDWSNHRAAQUZNU-UHFFFAOYSA-N 447.583 4.039 10 20 IICD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(N2CCSCC2)cc1 917384170 VLTLOKXSOUAVAP-UHFFFAOYSA-N 442.972 4.192 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)c(C)c1 917853376 QAWIKCPIJJYDBP-UHFFFAOYSA-N 427.551 4.120 10 20 IICD Cc1oc2c(CN3CCC[C@H](C(=O)NCC4CC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 108225992 AZPVLTSRFOVZIZ-FQEVSTJZSA-N 446.547 4.212 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC1CCCC1 303014399 PNMBZMKMFAZWCU-UHFFFAOYSA-N 442.531 4.047 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 303760136 DXCNUZXVMKDQBW-UHFFFAOYSA-N 429.586 4.206 10 20 IICD Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 726259349 CBBKKJQCLZDSPM-UHFFFAOYSA-N 428.964 4.417 10 20 IICD C[C@H](NC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 726468639 KWBMHUIKDKSPHO-ZDUSSCGKSA-N 429.533 4.329 10 20 IICD CC(C)c1nc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 726688360 VMXSJLDEESIMBD-CYBMUJFWSA-N 448.500 4.226 10 20 IICD COC(=O)Nc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1F 727593739 CLJABDFCUSLZBK-OKILXGFUSA-N 448.470 4.078 10 20 IICD COc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(F)c2)cc1 730175596 VDACPTKSISSIRC-UHFFFAOYSA-N 438.474 4.407 10 20 IICD COc1ccc(N2CCC(NC(=O)COc3ccccc3OCc3ccccc3)CC2)cc1 730776608 VEQMVWGUWBIXLZ-UHFFFAOYSA-N 446.547 4.438 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1F 731404468 DFBOJIWMYDFJDC-FQEVSTJZSA-N 440.523 4.313 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3COc3cccc(C=O)c3)CC2)cc1 731613178 USTXNLMLLUZYOD-UHFFFAOYSA-N 444.531 4.439 10 20 IICD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cc(OC)ccc2O)c1 734017588 PGAADAOJFHDOSL-UHFFFAOYSA-N 443.503 4.251 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)C[C@H]2CCCN(C)C2)sc(C)c1-c1ccccc1 735870660 NSNCVRHGDKIYMG-SFHVURJKSA-N 443.613 4.112 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)CC2)cc1 743229668 ZMBOZKKAOYGQLA-UHFFFAOYSA-N 439.556 4.370 10 20 IICD C/C(=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 748185850 MGDSBUUSWJHBHO-XAVZPLJISA-N 445.485 4.127 10 20 IICD COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)C2)cc1 749934784 WLEJALYGHKLBDR-LVCYWYKZSA-N 441.547 4.147 10 20 IICD CCc1nc([C@H](C)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 754789777 GAHWODNCIDWFGK-KBPBESRZSA-N 433.533 4.159 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N[C@@H](c1ccccc1)c1cccs1 756337940 ZHRXULLUSSAYNU-BWKNWUBXSA-N 436.577 4.341 10 20 IICD C[C@@H](NCc1ccc(NC(N)=O)cc1)c1cc(Br)cc(Br)c1O 756392077 JVPWRRPKJPBGBN-SECBINFHSA-N 443.139 4.259 10 20 IICD C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756618278 RWHWBGUTGCWVDN-NYHFZMIOSA-N 426.494 4.144 10 20 IICD Cc1cc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)ccc1F 758286523 VNQRAVRLYWWNPX-UHFFFAOYSA-N 431.470 4.419 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1 758416507 QNICENOXNDMRRI-NNLQFVHNSA-N 447.509 4.180 10 20 IICD COc1cc(N2CCN(Cc3cc(Cl)ccc3OC(F)F)CC2)cc(OC)c1OC 759871607 CSAKYUGLIZNYDH-UHFFFAOYSA-N 442.890 4.289 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)CC2)cc1F 760731476 IILRENSNRLHIJD-UHFFFAOYSA-N 448.420 4.001 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)c1 760895009 FLLQTGVXQMKMAO-LBPRGKRZSA-N 435.318 4.103 10 20 IICD CSCCCN1C(=O)/C(=C/c2cc(Br)cc3c2OCC3)SC1=S 764891065 JPOIUBCOPLQVEC-LCYFTJDESA-N 430.414 4.338 10 20 IICD Cc1cccc(C(=O)N2CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c1 768251635 RSWLSEONXWWPGW-UHFFFAOYSA-N 436.556 4.242 10 20 IICD C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(N(C)C)cc1 773000872 QEMFQRINJDLPNA-CQSZACIVSA-N 427.599 4.377 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773615327 CTOXJNVPXQYJKF-OAHLLOKOSA-N 432.952 4.112 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)c1ccc(N(C)C)cc1 773857838 ODLKKHWHVKSHGT-QGZVFWFLSA-N 433.556 4.187 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 775195211 QKRHNZPXRZKEGO-HSZRJFAPSA-N 435.955 4.270 10 20 IICD C[C@H]1CCc2c(sc3nc(CN[C@@H](C)c4ccc(N5CCOCC5)cc4)nc(N)c23)C1 775254830 JWYRYXXFFPOQPK-HOTGVXAUSA-N 437.613 4.086 10 20 IICD C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(N(C)C)cc1 775409480 GKCKLNJHQRCFOP-XDHUDOTRSA-N 429.520 4.186 10 20 IICD CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OC)cc1 775660569 FOGACZMJYVRBEP-FQEVSTJZSA-N 436.474 4.361 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Br)c(C)cc1C 777129044 AYKIWRZNABEZEZ-UHFFFAOYSA-N 432.362 4.119 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN(C)C3CCC(NC(C)=O)CC3)c2C)c1 784543005 WXQXBXKTVBIAKN-UHFFFAOYSA-N 427.614 4.378 10 20 IICD CCc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCN(C(C)=O)CC4)cc3)o2)cc1 786256285 CRWYZMOIAQBLPZ-UHFFFAOYSA-N 431.536 4.108 10 20 IICD CCC1(CC)Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2O1 787481966 LRNCNEBBCGSNJD-UHFFFAOYSA-N 429.492 4.272 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3cccc(OC(C)C)c3)cc2)CC1 787871957 JIKBKEVZDRVVHW-HXUWFJFHSA-N 437.584 4.204 10 20 IICD O=C(NC[C@H]1CCC2(CCCCC2)O1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 790283849 LMRHJIWGJGALPY-HXUWFJFHSA-N 437.531 4.438 10 20 IICD CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 791909494 IAZRCXHKIATJOC-UHFFFAOYSA-N 439.556 4.119 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC=C(c2cccc(Cl)c2)CC1 792880707 CHKIMCWLQOPVGK-UHFFFAOYSA-N 443.950 4.439 10 20 IICD C[C@H](SCC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 799900156 HCAACBMISOKCEO-HNNXBMFYSA-N 444.512 4.161 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4cccnc34)cc2Cl)C1 800637458 ZDXWDDHEQPQOJW-INIZCTEOSA-N 436.943 4.379 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCOCC4)C3)cc2Cl)C1 800711665 KNRMQQPMGVGVAQ-HKUYNNGSSA-N 435.996 4.104 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 916673964 YNJPNRGPJXCYQI-UHFFFAOYSA-N 448.523 4.062 10 20 IICD Cc1cc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)n1-c1ccccn1 917081905 JDKNSLMEKHQBMO-JOCHJYFZSA-N 430.552 4.207 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccccc3Cl)cc2F)C[C@@H](C)O1 918223071 XTGNHUTWIXLOGJ-CALCHBBNSA-N 449.954 4.313 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(-n2nccc2C(F)(F)F)cc1 919776918 XNSRTBBFVFTLAH-UHFFFAOYSA-N 445.445 4.049 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(C(N)=O)cs2)c(C)n1-c1ccc(F)c(Cl)c1 920602146 SAPUFMPERWAAKN-UHFFFAOYSA-N 434.876 4.087 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(S(C)(=O)=O)c(Cl)c3)ccc21 1115977120 GLQXLQIIAMKCNZ-UHFFFAOYSA-N 434.945 4.214 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccc4cc(Br)ccc4n3)cc2)CC1 1322458422 BGHUILZETYLAQI-UHFFFAOYSA-N 439.357 4.278 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2F)CC1 1322611832 WOUYRLIMRTWNSS-UHFFFAOYSA-N 447.480 4.072 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(F)F)c3)n2)cc1 1324277394 PGUDOJUOEXAYCY-UHFFFAOYSA-N 437.493 4.185 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C/c1c(Cl)cccc1Cl 1325762055 HJCPEXRIRBXECF-KQPPXVQYSA-N 438.307 4.099 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2cccc(Cl)c2)c1 1337862957 PXIHJVUJEFLUIM-HSZRJFAPSA-N 428.960 4.418 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CCC1)c1cc(O)nc(O)c1 1787327705 JXAOBSXSBXCIBZ-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Cc1nn(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 10197595 RDDLVQRLMFYECA-UHFFFAOYSA-N 431.439 4.086 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 35516683 RRPAACUBLOVYGQ-LGMDPLHJSA-N 445.522 4.232 10 20 IICD CSc1nc2ncnc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2s1 301144605 KTEVDELCVUEDNX-UHFFFAOYSA-N 441.504 4.276 10 20 IICD Cc1cc(C(=O)NCc2cccnc2OCC(F)(F)F)c(C)n1-c1ccc(C#N)cc1 303178497 JXFJOCKDIDZKKJ-UHFFFAOYSA-N 428.414 4.232 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)ccc21 303184141 KUXIQNUMUMTNMX-UHFFFAOYSA-N 425.548 4.248 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)n(C)c2ccccc12 572033269 BBHISFORMZJCLJ-HXUWFJFHSA-N 431.536 4.056 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)CC2)cc1 726708343 LFLZKCKDKOBKIW-XZOQPEGZSA-N 427.520 4.023 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 727220515 WHSCFLYCNHMPPK-UHFFFAOYSA-N 436.474 4.251 10 20 IICD CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1c(O)ccc2ccncc12 727823941 NFSOZYVJRIZGKP-UHFFFAOYSA-N 433.533 4.373 10 20 IICD O=S(=O)(Cc1ccccc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 728059971 LDIGRXQCAPUGLL-UHFFFAOYSA-N 430.904 4.030 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 728836188 UKPZDEXBQUOSNB-UHFFFAOYSA-N 443.425 4.329 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2F)n1 732636326 RHPFVRMFBPXPAA-UHFFFAOYSA-N 447.558 4.413 10 20 IICD CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1-c1ccccc1 735438710 BYQPEYJXGKASGY-UHFFFAOYSA-N 431.462 4.100 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(F)cc1F 739006744 ZXHSMRWUMDCSJG-OAQYLSRUSA-N 434.506 4.196 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 739509570 YTTIZVGVNMYYIX-UHFFFAOYSA-N 431.462 4.403 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2cc(Cl)ccc2Br)SC1=S 743279284 GKKPSIMDMDDWCA-WQLSENKSSA-N 434.764 4.257 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c(OC)c1 743840960 AVYOKDUGUFVBLL-XMMPIXPASA-N 439.600 4.344 10 20 IICD Cc1ccc(C(C)(C)CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 745646509 DHWYBDGAJPUUIB-UHFFFAOYSA-N 427.564 4.214 10 20 IICD COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 747858731 XWDXQOIJJBYDHE-ZACQAIPSSA-N 429.536 4.257 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2F)C[C@@H](C)O1 752897085 ZGMYIKLSBPJEMG-HZPDHXFCSA-N 447.501 4.102 10 20 IICD CC(=O)N1CCc2sc(C(=O)COC(=O)c3sccc3-n3c(C)ccc3C)cc2C1 754915924 SVLNBPUEMQEALF-UHFFFAOYSA-N 442.562 4.161 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](c3nccn3C)C2)c(C)n1-c1ccccc1Br 756129651 ACJIHQBITIDVHI-MRXNPFEDSA-N 427.346 4.220 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3cc4c(cc3O)CCCC4)CC2)cc1 756393264 RNIUJUQXHWODJJ-SFHVURJKSA-N 428.598 4.083 10 20 IICD C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(Br)cc1O 756805203 QVTFOMMHCFEKEF-CQSZACIVSA-N 432.362 4.025 10 20 IICD C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1cc(Br)ccc1O 756806167 XHKVXKQCJWDEMV-CQSZACIVSA-N 432.362 4.025 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 758414665 CUBMAUSIBHRQNS-VCRXTVNUSA-N 443.546 4.037 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 758419270 UVTZXNQWDOWZTO-NFECSFHCSA-N 442.562 4.099 10 20 IICD CC(C)CO[C@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 759302912 DORNQVOGYBBNIN-ZCQLHAAUSA-N 438.640 4.003 10 20 IICD C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(O)c1 760606225 KYEUZHYHZRLGTH-KAECEXQPSA-N 432.592 4.313 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c(Br)c1 761343136 NYMGSYBKDFQTRU-UHFFFAOYSA-N 446.329 4.343 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 762986713 BACHZGUVVSGVCW-AWEZNQCLSA-N 445.585 4.194 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CC(=O)N(C)Cc3cccc(Cl)c3)CC2)cc1 765637217 AGDFTESPJYBDKM-GOSISDBHSA-N 429.992 4.344 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CC(=O)Nc3ccc(Br)cc3)CC2)cc1 765638354 LOHCUCSCLRIJTK-INIZCTEOSA-N 446.389 4.433 10 20 IICD COc1ccc(N2CCN(C(=O)/C(=C/c3ccc(O)c(OC)c3)c3ccccc3)CC2)cc1 771868546 OQWMBXIPQAXJJS-HKOYGPOVSA-N 444.531 4.299 10 20 IICD C[C@@H](NC(=O)Nc1ccc(F)cc1I)c1ccc(N(C)C)cc1 775664423 XHQRETRKTUAVAK-LLVKDONJSA-N 427.261 4.379 10 20 IICD CCN1CCN(c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)c(C)c2)CC1 776756503 OYGQFXHLUKFAER-FQEVSTJZSA-N 426.580 4.286 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](c1ccccc1)C(F)(F)F 777827582 CZEYFTVIQIMYQQ-MRXNPFEDSA-N 429.822 4.283 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O 782293900 HLAPEXFYSDJAKJ-INIZCTEOSA-N 445.441 4.381 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2)nn1 784061202 NGNJAIKAPZQBHK-UHFFFAOYSA-N 445.523 4.464 10 20 IICD CC(C)(O)CN1CCc2c(cccc2NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 784639478 USESKMBSWDXFHY-UHFFFAOYSA-N 438.572 4.326 10 20 IICD Cc1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 799187607 WHMPMEZBBKCESU-UHFFFAOYSA-N 431.514 4.252 10 20 IICD C[C@@H]1CC(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H](C)O1 801785864 AJLZEVJRBVHAAR-NUJGCVRESA-N 425.520 4.150 10 20 IICD Cc1cc(C(=O)O[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)c(C)n1-c1ccccn1 914904180 WWXMDRUDQRVPAN-URXFXBBRSA-N 447.535 4.311 10 20 IICD COc1ccc(OC)c([C@@H](O)CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 915071447 LVWAVTSLAJUOGK-QFIPXVFZSA-N 442.943 4.157 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(N4CCCCC4)cc3)sc2n1 916525543 ILLAASHKGVVKSO-UHFFFAOYSA-N 438.553 4.281 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1cccs1)C[C@H]1CCCO1 916624758 ONEQINAPLVHZOG-HXUWFJFHSA-N 431.627 4.192 10 20 IICD CSc1nnc(CCCNC(=O)c2sccc2-n2c(C)ccc2C)n1CC(C)C 917514660 YNLCPFNLBKHDQY-UHFFFAOYSA-N 431.631 4.488 10 20 IICD CN(Cc1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919774172 HRDZNDWQCFAGHM-UHFFFAOYSA-N 430.552 4.481 10 20 IICD CC(C)CCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674036 NBYZAMZESQNFSJ-UHFFFAOYSA-N 446.551 4.350 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@@]2(F)Cl)C3)cc1 1800514832 DLFCDKKGKAUJPY-HCKMINRYSA-N 443.950 4.270 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 475957673 RNSWQNYPULIGMV-LJQANCHMSA-N 448.350 4.090 10 20 IICD COc1ccc(COCCCc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1 547247255 LUMYJCHJVHCKDH-UHFFFAOYSA-N 449.532 4.111 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(c2ccc(F)cc2)CCOCC1 726566114 PRPZJGRURMCJKA-UHFFFAOYSA-N 448.485 4.261 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 726717646 BGHOIWUTLBEIMA-LJQANCHMSA-N 430.980 4.225 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 729278292 OORGNHKWTIOVQW-XIKOKIGWSA-N 437.323 4.190 10 20 IICD COc1ccc(OC(F)F)c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 732925688 DJOATEAPZXRVMP-DHDCSXOGSA-N 437.445 4.401 10 20 IICD CN(c1ccc(CNC(=O)NCC[S@](=O)Cc2ccccc2)cc1)C1CCCCC1 735094669 DVZRTORDTRZPOE-PMERELPUSA-N 427.614 4.204 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)C2CC2)cc1 737135691 BEBGSEPFNXQBGI-UHFFFAOYSA-N 430.508 4.070 10 20 IICD CCOc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])cc1OCC 743082040 IBJZVHKQXGSZKM-UHFFFAOYSA-N 429.473 4.298 10 20 IICD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 745278758 CQZNKVPMEOGJQT-CQSZACIVSA-N 425.504 4.188 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cs1 749009772 IZIRRHRCWHLWJX-UHFFFAOYSA-N 430.479 4.046 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCN(Cc3ccccc3)CC2)cc1 751403137 CLZUTTIPULZZNU-SANMLTNESA-N 435.612 4.172 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ncoc1-c1cccc(C(F)(F)F)c1 751427935 UWHNJJSFHOTZHL-UHFFFAOYSA-N 431.414 4.127 10 20 IICD COc1ccccc1[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)c1nccn1C 756390482 IFSIJBZROGJLRP-SGTLLEGYSA-N 434.309 4.476 10 20 IICD C[C@H](NCCC(=O)NC1CCCCC1)c1cc(Br)cc(Br)c1O 756440590 FPFDQHSTVFUPEU-NSHDSACASA-N 448.199 4.407 10 20 IICD CC(C)C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1O)C(=O)Nc1nccs1 756782057 LMMZVVJULAZAEL-IINYFYTJSA-N 430.343 4.454 10 20 IICD C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(c2ccncc2)CC1 759937233 KODMKALDBZXGNR-QGZVFWFLSA-N 439.515 4.064 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccc(OCC(C)C)c3)CC2)cc(OC)c1OC 759952484 OJPJSXKEJZSIFZ-UHFFFAOYSA-N 443.544 4.101 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(OCc2ccccc2)cn1 760439600 DSROUALOKXOQDE-UHFFFAOYSA-N 442.313 4.186 10 20 IICD O=C(COC(=O)c1ncn(-c2ccccc2)n1)Nc1ccc(N=Nc2ccccc2)cc1 768684347 JZLXDIXDCKVRNZ-UHFFFAOYSA-N 426.436 4.478 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3c(SC)cnn3-c3ccccc3)CC2)cc1 769000243 SNQQOJJUYBRAOE-UHFFFAOYSA-N 437.569 4.393 10 20 IICD COc1ccc([C@H](C)N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 769654825 ZWHLYTZMQAPNIP-AWEZNQCLSA-N 446.550 4.096 10 20 IICD COCCc1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 771385900 UUMMCBMPHUWELO-AWEZNQCLSA-N 443.535 4.347 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1F 771698841 VWDJQNOSSDMXTO-UHFFFAOYSA-N 443.519 4.073 10 20 IICD CN1CCN(c2ccc(CNC[C@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)cc2)CC1 771867424 ZJWBUXVUQNNGFH-HYBUGGRVSA-N 430.999 4.014 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 772827618 KQLRTSVHGNDNBC-UHFFFAOYSA-N 432.523 4.221 10 20 IICD CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1O 775488129 HTVISTXNGAKJDX-CXAGYDPISA-N 439.339 4.064 10 20 IICD C[C@@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc(N2CCOCC2)cc1Cl 777202190 RDASIPICCPCRMW-GOSISDBHSA-N 444.023 4.275 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1Cl 779204169 PJLCMKCUMYEHBL-SDQBBNPISA-N 444.763 4.250 10 20 IICD CC(=O)NCCc1ccc(C(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)cc1 783080193 NRRBMQPHVJMXSY-KRWDZBQOSA-N 438.549 4.262 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n(-c2ccccc2)n1 783486603 PNECEXZYDWUXMF-LJQANCHMSA-N 439.519 4.496 10 20 IICD CN1C[C@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc2C1=O 787102243 OHXRLLIWSJELQX-QFIPXVFZSA-N 442.475 4.453 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1F 790715602 XGKJLQZNYYHNTG-UHFFFAOYSA-N 442.579 4.144 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 801949343 CDTKCWAUWZBXDM-UHFFFAOYSA-N 448.615 4.456 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 802005437 IHKOKFYKUDHVCT-KOUNCHBCSA-N 437.559 4.407 10 20 IICD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 807678737 ZDWXGSWAFGAIQG-QGZVFWFLSA-N 425.554 4.122 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 809144316 JXGSUHGCYAUVLV-RCCKNPSSSA-N 443.590 4.302 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 811823149 MPERKPPRFVZUEM-UHFFFAOYSA-N 428.944 4.041 10 20 IICD C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 815153289 LTLCXUHSGYDVHA-CVDCTZTESA-N 432.568 4.082 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 815637861 ICWABPWRYVWKSA-UHFFFAOYSA-N 446.345 4.195 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1ccc3ccccc3n1)c2[N+](=O)[O-] 823431974 AFXJZGLSWIRKPT-UHFFFAOYSA-N 438.395 4.275 10 20 IICD C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H]2CCCC[C@H]12 915175975 HDZSJZFLKYCPFJ-STXHMFSFSA-N 432.476 4.411 10 20 IICD O=C(Nc1cccc(Cl)c1-n1cccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 916688079 NZWOHHPEFOJIDS-QGZVFWFLSA-N 426.904 4.444 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)c(F)c3)cc2F)C[C@@H](C)O1 921280148 FHJMSUHNFJWWLP-CHWSQXEVSA-N 439.300 4.271 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCC[S@@](C)=O 1341912580 BRIQJNCVAOOKCF-VPTFNQTCSA-N 441.519 4.250 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(-c2nnc(Cc3csc(N4CCOCC4)n3)o2)c1 1348897385 UJARDNSFVOTMAV-UHFFFAOYSA-N 435.553 4.336 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3ccccc3OC)c3nccn3C)c2C)cc1 57853979 LNSHAQCSZWKGRK-XMMPIXPASA-N 444.535 4.364 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)c4ccc(C)cc4)CC3)ccc21 486477526 ZKBDEXABZBKQEN-UHFFFAOYSA-N 447.579 4.248 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 726706354 IKTBSKDKVKJSFZ-GXKKKHDSSA-N 441.547 4.159 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)COCc1ccccc1 726856000 CDISVPLIIFFAIC-IBGZPJMESA-N 426.538 4.011 10 20 IICD COc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1O 727761374 XYZFEEFMYQHIJP-HXUWFJFHSA-N 438.911 4.232 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)ccc21 728637421 KSBQMKZBVFPQDJ-HNNXBMFYSA-N 429.904 4.137 10 20 IICD COC(=O)CSCc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 728695886 MIZXVBBQZRCQKZ-UHFFFAOYSA-N 427.570 4.355 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3ccc4nc(O)[nH]c4c3)c2C)c1 728984345 FMVSRGJMBSEEAS-MRXNPFEDSA-N 432.480 4.168 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731016583 NCFBQPRCDFOMQN-UHFFFAOYSA-N 435.597 4.221 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 732227609 DKUXUZJIGUTAKU-HBMCJLEFSA-N 435.612 4.319 10 20 IICD Cc1cccc([C@H](C)CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 741198834 HWSJHSCXCHQRBN-OAHLLOKOSA-N 428.444 4.212 10 20 IICD COC(=O)c1ccc(-c2nc(CN(C)c3cc(OC)c(OC)c(OC)c3)cs2)cc1 741798994 QIKJTISJZDOSAS-UHFFFAOYSA-N 428.510 4.259 10 20 IICD CN(C)c1ccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1F 742383056 RZNKVRMIIOOPBS-HSZRJFAPSA-N 430.520 4.314 10 20 IICD CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 744550884 OTMGBUQBSVPFST-HNNXBMFYSA-N 446.463 4.351 10 20 IICD C[C@@H]1CCN(CCOc2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)C1 745180539 OBDGYZXOJKOVHX-HXUWFJFHSA-N 426.630 4.220 10 20 IICD CN1CCCc2cc(CNC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)ccc21 746808430 CDTBAIRESQUBEZ-UHFFFAOYSA-N 437.547 4.306 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCc3ccccc3)C3CC3)cc2F)C[C@H](C)O1 746947000 SXLBCLBCPYQQMX-OALUTQOASA-N 425.548 4.356 10 20 IICD Cc1cccc(-c2nnc(N(C)Cc3ccc(N4CCCCC4)cc3)n2C[C@H]2CCOC2)n1 752829732 BJAHDZWQEBFODE-JOCHJYFZSA-N 446.599 4.312 10 20 IICD Cc1cc(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 753577759 YIYIQNUASWVZPD-UHFFFAOYSA-N 441.871 4.041 10 20 IICD C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(N2CCOCC2)cc1 755238359 RDYWGZNCZCNBJC-LBPRGKRZSA-N 425.273 4.055 10 20 IICD CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)c3ccc4c(c3)OCO4)cc2)cc1 756655462 VNKUMCYCUHVPTN-UHFFFAOYSA-N 447.491 4.141 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2ccccc2Br)C1 759592287 ZLLGJSGDXFTEEN-HNNXBMFYSA-N 442.404 4.171 10 20 IICD COC(=O)Nc1cc(C(=O)NCc2cccc(Br)c2O)cc(C(F)(F)F)c1 765730534 WGMBVXZCYLIQDV-UHFFFAOYSA-N 447.207 4.282 10 20 IICD Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)s1 769192077 IKWINGBEKXQCFH-UHFFFAOYSA-N 442.585 4.349 10 20 IICD C[C@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 769957976 BPWNSRKCMRASOH-WOJBJXKFSA-N 435.568 4.029 10 20 IICD Cc1ccc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)c(O)n1 771140339 FTTSXFYOAFIERZ-GXDHUFHOSA-N 444.563 4.041 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1 772740260 DPWBBNCHHDFDHP-HSZRJFAPSA-N 446.555 4.487 10 20 IICD Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)n1 773847027 MHZPXPBMXJXZAM-KRWDZBQOSA-N 449.580 4.127 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C2CC2)cc1 774393608 YJWVGBCMWZXWMJ-RUZDIDTESA-N 431.559 4.492 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 774891250 UADPUAIBXHGBER-OAHLLOKOSA-N 433.346 4.161 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 775188199 DFEFYOBKPISVDG-DEOSSOPVSA-N 447.966 4.462 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)nc1-c1ccccc1 775206603 DQJNDNYJDAETIQ-UHFFFAOYSA-N 443.337 4.271 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O 779021681 FKGHMLMJCQCDKN-KGLIPLIRSA-N 441.391 4.125 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(C)c1F 782927134 SOSSIEHKAICRSH-UHFFFAOYSA-N 435.502 4.025 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 783004121 HDJOWKBDCLJCPE-DEOSSOPVSA-N 436.987 4.333 10 20 IICD COc1ccc([C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C(C)C)cc1 785543339 IGGSJLKHUNNZNC-HSZRJFAPSA-N 436.508 4.036 10 20 IICD Cc1cc(C)c([C@@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(O)c1 788564627 WZEHWYHMCHJOBS-GOSISDBHSA-N 442.556 4.477 10 20 IICD O=C(NCC(F)(F)c1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 788765761 MFYQVCUSSJBJQY-UHFFFAOYSA-N 425.426 4.348 10 20 IICD CCOC(=O)c1nc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)c[nH]1 793962988 AMJUCZOXJWUVGD-UHFFFAOYSA-N 431.290 4.009 10 20 IICD COc1cccc([C@@H](O)CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 799994878 RBNRFFQVAGQUGU-ZHRRBRCNSA-N 431.964 4.118 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Br)c1Cl 802550235 RXKPGUTWSVGFSE-UHFFFAOYSA-N 438.753 4.156 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cc(-c2ccc3ncccc3c2)on1 804255941 HYRAEQBDADLBGK-UHFFFAOYSA-N 434.839 4.218 10 20 IICD CC[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc(Cl)cc(Cl)c1O 806143892 NDJGNVFKQKZAJX-GOSISDBHSA-N 430.420 4.366 10 20 IICD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCCSc1nccs1 806278568 VMKKPFYBOGPQPJ-LLVKDONJSA-N 432.398 4.268 10 20 IICD COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 807056975 MTEYISSVJKPINN-HXUWFJFHSA-N 428.448 4.344 10 20 IICD COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)C(C)=O)c1 808010591 DSWWAANKFQRKPL-MTJSOVHGSA-N 436.533 4.454 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1C 809861439 HMGKJKRNHJBATP-UHFFFAOYSA-N 437.507 4.072 10 20 IICD CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 814274979 JIMTWMBWJSKPHD-XDHOZWIPSA-N 446.619 4.466 10 20 IICD Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)c1 817932125 QNGPFHRBLULMEN-STZFKDTASA-N 448.523 4.289 10 20 IICD O=C(NCc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915774585 GJXIYTREIFXYKZ-UHFFFAOYSA-N 441.491 4.484 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3c3cccc(F)c3)cc2F)C[C@@H](C)O1 917087174 UCVWUTWXFHQRTC-PNCHPQGNSA-N 443.538 4.032 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C(F)(F)F)c1 918183737 UNDOOXIPIWNGHV-MRXNPFEDSA-N 435.490 4.475 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 918303666 DALORHGXHDDIEA-UHFFFAOYSA-N 437.462 4.157 10 20 IICD CCc1cccc(CC)c1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 1318628807 ZBLUITYCGCNXFM-UHFFFAOYSA-N 443.594 4.372 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 1319161965 ZACFPOZAPCBCPA-IYBDPMFKSA-N 427.545 4.298 10 20 IICD C[C@H]1CN(C(=O)Cc2occc2C(=O)N2C[C@H](C)Oc3ccccc32)c2ccccc2O1 498152573 DHRQGUIOCABWHN-IRXDYDNUSA-N 432.476 4.064 10 20 IICD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 726720201 WYISIZFZGZRHEH-LJQANCHMSA-N 442.991 4.368 10 20 IICD Cc1cc(C(=O)OCc2nnc(C3CC3)n2C)c(C)n1-c1cccc(Br)c1 727187326 QSXNCZSRXSQHAI-UHFFFAOYSA-N 429.318 4.220 10 20 IICD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 728188566 KWZQVZLHNSBJKX-NRFANRHFSA-N 430.548 4.198 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2)cc1 730900091 KNCGYJLOYQVALM-OAQYLSRUSA-N 443.519 4.183 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 732569911 WADDDGZSXOIBLM-QHCPKHFHSA-N 428.580 4.181 10 20 IICD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCSc3nccs3)cc2[N+](=O)[O-])C1 733971720 CQFRLYSEMODEBN-GJZGRUSLSA-N 434.587 4.446 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC(F)F 735329755 LOSJFXLAXWPEHM-APSNUPSMSA-N 437.445 4.431 10 20 IICD CCC[C@H]1SCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 736093214 NDVIUIXXKDTRLQ-OBEJXRGXSA-N 426.654 4.431 10 20 IICD Cc1cc(C(=O)COC(=O)CCCc2ccccn2)c(C)n1-c1ccc2c(c1)OCCO2 741338617 NPVUCBIKGUANAA-UHFFFAOYSA-N 434.492 4.009 10 20 IICD COc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)sc(C)c1Br 742584127 TYRPIRGTMZODNR-LBPRGKRZSA-N 439.375 4.155 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc1 742753521 JHZRWYLTZSBBAY-SFTDATJTSA-N 439.556 4.001 10 20 IICD O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2 743282095 IYEODGKBYGTQNS-XOLYJNTKSA-N 425.478 4.407 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N(Cc1ccco1)Cc1ccccc1O 743430301 ITWIQFQTPRNFIJ-UHFFFAOYSA-N 432.524 4.354 10 20 IICD CC(=O)c1cccc(OCCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 746774866 PKEKQHHRHCPACZ-QZTJIDSGSA-N 442.531 4.117 10 20 IICD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccc2c(c1)CCCN2C 746811938 UUTIDGZYAGNIKZ-UHFFFAOYSA-N 426.923 4.345 10 20 IICD FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nnnn1Cc1ccccc1 748034860 XNEHRYLZCGSVHW-UHFFFAOYSA-N 430.459 4.440 10 20 IICD CC[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(Cl)cc1 751930626 IKTZTUISBJNITI-SFHVURJKSA-N 443.956 4.394 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752830172 FLYQSURXLRENRH-IBGZPJMESA-N 448.596 4.482 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc21 754553496 UXHAGCQWHPGVPO-UHFFFAOYSA-N 426.350 4.050 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(-c2ccccn2)ccc1Cl 754999744 QZHSAZKQWQALFP-UHFFFAOYSA-N 437.927 4.283 10 20 IICD C[C@@H](NCCCOC[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O 756604681 OYNFJFRASRRFIR-NEPJUHHUSA-N 437.172 4.011 10 20 IICD CCc1cc(N2CCC[C@H](N[C@H](C)c3cc(Br)cc(Cl)c3O)C2)ncn1 756710957 HHLPQSPAQUCGAT-DOMZBBRYSA-N 439.785 4.480 10 20 IICD C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 765686466 SVXFIMLMEHZNJU-CTIGNXTNSA-N 445.604 4.174 10 20 IICD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770383148 CCXIPQUOOUBYMN-PKOBYXMFSA-N 432.565 4.320 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)N(C)C)cc1OC 772949933 ZNXBXKBFRGMVNW-JTSKRJEESA-N 448.007 4.147 10 20 IICD C[C@H](N[C@H](CCO)c1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 781923400 NPIFNYUURJVZDI-MGPUTAFESA-N 437.353 4.199 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 782772834 JTPTZBDJPBOLDD-UHFFFAOYSA-N 446.617 4.272 10 20 IICD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2O1 785979752 BVVQZNJWPMZLFM-XMMPIXPASA-N 436.464 4.050 10 20 IICD CCc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1C1CCCC1 789624779 LZOVANJYZJTKQW-IAGOWNOFSA-N 428.552 4.243 10 20 IICD CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cccc(Br)c2O)cn1 792185232 CUBHZMNZYMNIQD-HXUWFJFHSA-N 430.346 4.107 10 20 IICD COC(=O)c1ccc(Cl)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 795898704 GGNJCZGXGHJNSA-UHFFFAOYSA-N 442.865 4.272 10 20 IICD CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 797466094 DEXDWHTUVQIMCS-YLJYHZDGSA-N 447.530 4.410 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3c(Cl)ccc4c3CCO4)cc2F)C[C@@H](C)O1 797666259 KIFTTXYQHJQVFD-ZIAGYGMSSA-N 433.911 4.349 10 20 IICD COc1cccc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636578 LFTUJJILRQHPAL-OAHLLOKOSA-N 429.948 4.148 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 809144502 BOLMSNYEUWPXFQ-UHFFFAOYSA-N 432.561 4.027 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nn1C1CCCCC1 810362378 OKMHNVOLDCSEME-UHFFFAOYSA-N 437.588 4.188 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)c2C)cc1 811939090 PXDCMOVGVNPXCS-UHFFFAOYSA-N 443.450 4.098 10 20 IICD Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812393993 MOUWNYQRTMWTSO-ICSRJNTNSA-N 437.613 4.331 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccc4)n3C[C@H]3CCCCO3)CC2)cc1 812436499 IQUBMTINTPJOOL-XMMPIXPASA-N 447.583 4.240 10 20 IICD CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc(Br)cc2OCCCO)c1O 812885372 PLYKEBDYYDYBRP-GFCCVEGCSA-N 440.309 4.108 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1ccc(Br)cc1 915081399 WJNMHRXTNSDAHH-UHFFFAOYSA-N 439.357 4.473 10 20 IICD COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c2C)cc1 915849968 JXFAJNKYLJCPSD-LDADJPATSA-N 430.551 4.169 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2F)C[C@H](C)O1 916682657 XVZIKPIRFLIVGX-GJZGRUSLSA-N 429.492 4.268 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H](C)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 917007169 ZGFROXCIBNIGHE-BBWFWOEESA-N 449.517 4.027 10 20 IICD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 917846002 IKGAHWSZULFJJT-UHFFFAOYSA-N 446.329 4.343 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 918266174 NFNZVONOPMMQKV-UHFFFAOYSA-N 449.473 4.349 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(F)cc(Br)c1 919895628 POZMETAESOTZRM-UHFFFAOYSA-N 432.337 4.373 10 20 IICD CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1cc2ccccc2o1 920087266 GZQOHAUEDGWKAF-GOSISDBHSA-N 439.531 4.108 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1319498940 LIGCXPPWQFSNGX-UHFFFAOYSA-N 432.524 4.156 10 20 IICD CO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCCCO2)C1 1321293130 ULNHUWPJBQPCQX-FGZHOGPDSA-N 435.572 4.147 10 20 IICD CO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCCCO2)C1 1321293131 ULNHUWPJBQPCQX-YADHBBJMSA-N 435.572 4.147 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1Cc2ccc(O)cc2C2(CC2)C1 1343664159 UMZYNBGAUWJTOM-QGZVFWFLSA-N 443.494 4.219 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC1=S 14176989 IUKOAAIKZRATGK-NAVNFMRLSA-N 435.567 4.091 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F 116034267 MECYRTSPGOEXCN-UHFFFAOYSA-N 435.427 4.125 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3nnc(-c4ccccc4)o3)c2C)cc1 195532799 HDUCCXQZIBNXDG-UHFFFAOYSA-N 431.448 4.192 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2)n1 301747585 DZKQBNDDOLWUPR-RUZDIDTESA-N 432.568 4.377 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@@H]3CC(=O)c3cccs3)ccc21 440364487 LCJLLSKQACRRQQ-IBGZPJMESA-N 440.565 4.080 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3c(-c4cnn(C)c4)nc4ccccn34)ccc21 465460093 TZUTXSFAXUIJRT-UHFFFAOYSA-N 442.523 4.205 10 20 IICD Cc1c(CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)n(C)c2ccccc12 553798220 VLZDPIGKWATRIA-REWPJTCUSA-N 429.524 4.002 10 20 IICD CN(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722271 PKDIGIUJAYOHCE-UHFFFAOYSA-N 425.426 4.377 10 20 IICD COc1ccccc1/C(C)=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 727306278 JCAMDWNAIHOPOE-DTQAZKPQSA-N 434.458 4.270 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 728960833 RLMQJYXQFXQBBK-IBGZPJMESA-N 443.613 4.164 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(Br)cc2Br)c1O 729545790 MFCCXKMMQSDESY-UHFFFAOYSA-N 430.096 4.248 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1F 731363578 JCOWLOMJODOGSE-UHFFFAOYSA-N 440.563 4.297 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccnc(-n3ccnc3)c2)cc1 732115336 WYPSAZJHGQUVAK-UHFFFAOYSA-N 427.508 4.189 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1 733661952 CGHOMAXWIQKDNE-UHFFFAOYSA-N 440.503 4.348 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 734016987 UPSVQTHFRLBNRA-UHFFFAOYSA-N 431.495 4.155 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)n2)cc1 734740935 XULCNUDGYUPQQI-UHFFFAOYSA-N 445.591 4.242 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 735576513 CPVHBPHDSXADMG-UHFFFAOYSA-N 431.558 4.009 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741406122 CGCRGWAGIWOLSF-UHFFFAOYSA-N 448.611 4.174 10 20 IICD Cc1nc(-c2ccc(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2)nc(O)c1C 742394191 KYURDTFGKZCYAT-GASCZTMLSA-N 437.519 4.226 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3sccc3-c3ccc(F)cc3)cc2)C1 743868745 FXOMBDIQMUIJOV-SFHVURJKSA-N 437.540 4.186 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)CC2)cc1 747305426 UVZFSVAUGGFMRN-RUZDIDTESA-N 436.600 4.062 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 750059525 JJTKCZWFWSEDLU-LBPRGKRZSA-N 425.819 4.248 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2F)NC(=O)OC(C)(C)C)cc1 750622401 ZSHAFDKVTNEONQ-KRWDZBQOSA-N 437.462 4.166 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2)cc1F 753287828 FCGMWDRRHJTQOM-SFHVURJKSA-N 429.389 4.109 10 20 IICD CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 754547078 DHTFAOVJHTYKSD-QFIPXVFZSA-N 446.890 4.321 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 756075082 BXBUCZDAUNHUGL-UHFFFAOYSA-N 448.592 4.321 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2ccc(Cl)c(Cl)c2O)N2CCOCC2)cc1 756353080 XJZIOXZGWHJWQZ-KUHUBIRLSA-N 425.356 4.432 10 20 IICD CCNC(=O)COc1ccc(N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1 756801680 CRNXHINOHMPROR-LLVKDONJSA-N 427.726 4.496 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1cccc(Cl)c1 765288222 XIKOYLKHYUSQRZ-KRWDZBQOSA-N 439.991 4.289 10 20 IICD C[C@@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)cc(Cl)c1O 769989636 VVLCNYTVJILNKW-LLVKDONJSA-N 437.725 4.356 10 20 IICD CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 770395606 KENAKXMBVLSLPG-UHFFFAOYSA-N 442.629 4.349 10 20 IICD CCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@@H](C)CS(=O)(=O)CC 772118444 RLOJIKIHGYHNLO-KRWDZBQOSA-N 430.574 4.453 10 20 IICD COCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCCCC1 773721847 UUUHJSSEWWWEBC-KDURUIRLSA-N 435.584 4.226 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1SCc1cn2ccccc2n1 773740014 IROKCEJEYLQPCO-MRXNPFEDSA-N 433.533 4.399 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2cncnc2)cc1F 773822928 FXYIOAISASGDCZ-QGZVFWFLSA-N 442.441 4.283 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 775370552 WAMIYPIFDVRVSI-ZWKOTPCHSA-N 447.535 4.181 10 20 IICD CC[C@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Br)ccc1O 775484821 JWWWTNUCAPZWGA-ZDUSSCGKSA-N 429.240 4.457 10 20 IICD Fc1cc(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)ccc1N1CCOCC1 778158245 KFGRVPRGTWMNBT-UHFFFAOYSA-N 448.464 4.216 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)c1 778604488 LGZSTCHZMFOPTB-CYBMUJFWSA-N 426.419 4.162 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Nc2c(F)cccc2F)cc1F 779155086 LVVDFQDMAOAURJ-UHFFFAOYSA-N 442.441 4.168 10 20 IICD O=C(Nc1csc2ccccc12)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 779155345 AUYDZMLFLRREAS-UHFFFAOYSA-N 445.491 4.226 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl 782429259 WOXNXFZDGHWSBW-UHFFFAOYSA-N 425.916 4.475 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C\c3c(Cl)cccc3Cl)cc2)CC1 786259442 PZSNOSQZMCKRDG-PEZBUJJGSA-N 446.378 4.382 10 20 IICD COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OCC2CC2)c1 788197889 HYERPYGSDITXTF-UHFFFAOYSA-N 446.494 4.484 10 20 IICD C[C@@H](NC(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccc(N(C)C)cc1 790523947 CFYGGORRNDKRCV-CYBMUJFWSA-N 444.333 4.126 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)cc2Cl)C1 799995591 PCPXOSVXPCWLNI-IFXJQAMLSA-N 447.929 4.421 10 20 IICD C/C(=C/c1ccccc1C(F)(F)F)CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 800240222 XLCINUFUPOSPLF-VKAVYKQESA-N 438.515 4.133 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H](O)c2cccnc2)c(C)n1-c1ccc(Cl)c(Cl)c1 803957210 IGTFRAYEFMJMSN-HXUWFJFHSA-N 433.291 4.255 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)cc1Br 806738537 HGQDVRWZIZDLND-UHFFFAOYSA-N 446.345 4.466 10 20 IICD O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)N(Cc1ccco1)Cc1ccccc1O 806807596 QRCHGXGFPKEISX-UHFFFAOYSA-N 438.459 4.278 10 20 IICD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807290761 NQXIAINWDRIQQD-UHFFFAOYSA-N 446.378 4.423 10 20 IICD CCC(CC)[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 808071109 MYYDJZVGQSOIJR-NFBKMPQASA-N 430.589 4.154 10 20 IICD Cc1cc(-c2nnc(N(C)CCCCCO)n2C[C@H]2CCCO2)c(C)n1-c1ccccc1 812254074 BNUZWLDUVMGDOY-JOCHJYFZSA-N 437.588 4.130 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 812649713 AYRJDIXMBFKYFX-KXBFYZLASA-N 435.615 4.041 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC12CCC2 813785251 ADZWAVCETZXWOJ-OAHLLOKOSA-N 425.913 4.366 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](C[C@H]3CCOC3)c3ccc(F)cc3)CC2)cc1 813856109 XBBRICZEFAPYTC-QFQXNSOFSA-N 441.591 4.104 10 20 IICD O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccnn1Cc1ccccc1Cl 869880577 KSSLIXHOPDONCT-UHFFFAOYSA-N 433.871 4.470 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(I)cc2Cl)cc1 915343090 DQBKMIOAEAMBFL-UHFFFAOYSA-N 429.689 4.332 10 20 IICD O=C(NCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 915879423 PUXYDMJSEFCLKD-UHFFFAOYSA-N 427.854 4.195 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1OCC(F)(F)F 916673957 YHGRVTRVZAJVCV-UHFFFAOYSA-N 437.462 4.158 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)CC2)cc1 918031458 CPBQJJNOJSILTB-UHFFFAOYSA-N 442.947 4.220 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)cn2)c1 918307139 PIZCBBAFAMCLFM-UHFFFAOYSA-N 446.551 4.490 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)o1 919520705 FXGCMORMJQAUGL-HNNXBMFYSA-N 442.899 4.405 10 20 IICD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Oc2ccccc2)c(F)c1 919819692 XLTKSYKMPJEJCR-CQSZACIVSA-N 444.484 4.186 10 20 IICD COc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1C 1317667031 BMNZIDODJRKPOM-LDADJPATSA-N 430.551 4.169 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cnco4)C3)CC2)cc1 1806326702 TWZIJEBSYPNKTQ-UHFFFAOYSA-N 446.551 4.241 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 10962521 VYICWBMGVUFXBT-UHFFFAOYSA-N 427.976 4.499 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 15134745 PKDQLQMZEUCUTE-UHFFFAOYSA-N 439.625 4.471 10 20 IICD COCCCNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CC(C)C 32881364 QSLWKYNGZQMPHE-UHFFFAOYSA-N 440.407 4.213 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)c2cccs2)cc1 97001944 HNKLLCDBGOEKMN-KRWDZBQOSA-N 437.565 4.174 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 110012783 OXPNIGKDPNVSQH-XMMPIXPASA-N 443.547 4.067 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)n(C)c2ccccc12 476627304 CKXMJUCXPLZMNE-QGZVFWFLSA-N 435.421 4.052 10 20 IICD Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 725864375 OMWOHIPHQXABMS-ZVDOUQERSA-N 425.548 4.447 10 20 IICD C[C@]1(c2ccc(CNC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc2)NC(=O)NC1=O 726230291 MEDASIZDVPMRET-XMMPIXPASA-N 442.479 4.478 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 727436303 DXCDFUUDUUXPMK-OAQYLSRUSA-N 436.383 4.091 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)c2C)c1 727524334 CIONKFKZQDDYTH-UHFFFAOYSA-N 449.532 4.220 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727931345 VPLUXXRTIXEMLG-ROUUACIJSA-N 435.351 4.365 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 728938155 NTIDNXQHNWTLTA-LBPRGKRZSA-N 438.509 4.292 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1 729063060 HOZZZDOCYHGNMV-MRXNPFEDSA-N 426.513 4.176 10 20 IICD Cc1cc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2nccs2)c(C)n1-c1ccccn1 733434871 FDMIFDGWSWVDCD-JOCHJYFZSA-N 446.532 4.008 10 20 IICD Cc1ccnc(-c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)n1 734693634 WRYIMNDQSBEIPV-UHFFFAOYSA-N 443.551 4.039 10 20 IICD C[C@@H](c1ccccc1)N1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 734865397 NFFPTPJTGFYFSC-FQEVSTJZSA-N 438.641 4.265 10 20 IICD O=C(CSc1ccccc1C(=O)N1CCS[C@H](c2ccccc2)C1)N1CCCC1 735453685 IBYXYAUNMVRDIO-NRFANRHFSA-N 426.607 4.331 10 20 IICD COc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OCC(F)(F)F 740905243 CZBIGURSUAFPPW-UHFFFAOYSA-N 435.446 4.012 10 20 IICD Fc1ccc2ccc(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)nc2c1 742396530 WBPGJSVYHZUPIX-UHFFFAOYSA-N 432.478 4.242 10 20 IICD COc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 743115982 XWAAKGSMSRSMAN-UHFFFAOYSA-N 425.529 4.469 10 20 IICD C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 743554630 JMBPBMDOBVOGAI-RBBKRZOGSA-N 433.474 4.071 10 20 IICD CC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1 745930925 RHMRHTOTYHOSNW-INIZCTEOSA-N 442.507 4.291 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cncc(Br)c2)n1 747859468 YOSJEESWNKAAIZ-UHFFFAOYSA-N 440.344 4.085 10 20 IICD COc1ccccc1C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 747948763 HGCFXIHIFBKOCC-AUSIDOKSSA-N 425.573 4.159 10 20 IICD O=C(NCCC1CCN(CC(F)(F)F)CC1)N(Cc1ccco1)Cc1ccccc1O 748966497 KKWJWDPVYVYMPB-UHFFFAOYSA-N 439.478 4.361 10 20 IICD Cc1nc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)sc1Br 754431953 OSJUMKMSQQPVPW-UHFFFAOYSA-N 444.420 4.025 10 20 IICD C[C@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)cc(F)c1O 756737617 WGTRVAXDMBNSSZ-LIRRHRJNSA-N 435.337 4.178 10 20 IICD Cc1cc(C)c(Br)c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 763483884 FWIMWFUXDSHQTC-UHFFFAOYSA-N 430.346 4.020 10 20 IICD COc1cccc(C[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2)c1 765245245 OPQFCAVZROYEJE-SQHAQQRYSA-N 443.591 4.471 10 20 IICD O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1 769429070 ZWLJIXIXYYVLJE-UHFFFAOYSA-N 428.794 4.466 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1 771385042 ADOLLOJPOQXUCZ-QFIPXVFZSA-N 447.535 4.164 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2nc(C(F)(F)F)cn2c1 771406308 IUDYBDXRNZZSJA-UHFFFAOYSA-N 442.235 4.484 10 20 IICD Cc1ccc(-n2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2C2CC2)cc1Cl 773760898 MQJPYGIVZLPLFN-AWEZNQCLSA-N 425.916 4.484 10 20 IICD Cc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1C(C)C 777585754 KUCVDUODDNXUBH-CYBMUJFWSA-N 434.521 4.062 10 20 IICD O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896108 KEVXGPKPPUBCBQ-UHFFFAOYSA-N 436.487 4.017 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccccc1OC1CCCC1 787210298 VQLWUGFXZNGLIR-UHFFFAOYSA-N 449.595 4.273 10 20 IICD COc1ccc2nc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)sc2c1 788679048 VULUMRMSKHLOEI-LZYBPNLTSA-N 428.516 4.439 10 20 IICD C[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc(C(F)(F)F)c1O 788821714 YREHANIPELAEAW-MCMMXHMISA-N 447.457 4.487 10 20 IICD CC(C)(C)OCCCCOC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 789002813 ZVRGRLHVIJNBMU-UHFFFAOYSA-N 425.437 4.122 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ccc(-c2ccco2)cc1F 790500395 DGCHUNMHZZHKKU-UHFFFAOYSA-N 427.451 4.061 10 20 IICD C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(N(C)C)cc1 790833201 AGMZLVHZPLBXMU-CYBMUJFWSA-N 447.333 4.252 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1 790986011 PMQDZLQIOBQXCV-SFHVURJKSA-N 431.602 4.229 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 793574013 GYEICLNTKSLQQE-IAGOWNOFSA-N 437.005 4.382 10 20 IICD CCCCNS(=O)(=O)c1ccc(C)c(NCc2cccc(Br)c2O)c1 796433632 GVLITHMRFFASTG-UHFFFAOYSA-N 427.364 4.154 10 20 IICD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 798113672 QLCFSZAXYKCWBF-HSALFYBXSA-N 445.357 4.401 10 20 IICD Cc1cc(N2CCC(NC(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)CC2)n[nH]1 799978307 BRRQDQNBILCHCA-MRXNPFEDSA-N 445.011 4.076 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2Cl)C1 800544023 SWQAPGCSGRHIRP-LPHOPBHVSA-N 431.968 4.274 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(=O)NCC(C)C)CC1 801949268 LSRCVTMPDLIGEG-UHFFFAOYSA-N 448.615 4.361 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OCC 802610192 TYUSQQVVKAAVPG-UHFFFAOYSA-N 432.542 4.015 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCCc1cccc(Cl)c1 803473403 LIEOLGMABVKBIE-UHFFFAOYSA-N 427.976 4.038 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1c1cc[nH]n1 804277909 JSBDMSWHRCTBKR-YKBBIGDRSA-N 446.623 4.206 10 20 IICD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 807581467 ZXPCIRSWDCRLEM-IBGZPJMESA-N 445.563 4.264 10 20 IICD CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCc2cncn2C)cc1 813256646 IMLJFXKVMQPSJC-RGEXLXHISA-N 437.547 4.451 10 20 IICD Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC(F)(F)F 857455784 IJEDDUYJKMPSAC-ZDUSSCGKSA-N 445.388 4.168 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C(=O)c4ccccc4F)CC3)c2C)cc1 913153537 YIJIOBKWLJVBER-UHFFFAOYSA-N 449.526 4.230 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 915984070 HBTIQEUBFKCFLU-QGOAFFKASA-N 428.535 4.012 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916645502 FMRNBRGUCBRKPD-JXFKEZNVSA-N 447.373 4.477 10 20 IICD COCCOc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1 916691480 JXPJAEWJOBTCBF-HDICACEKSA-N 445.535 4.095 10 20 IICD CC(C)NC(=O)Nc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 916839091 PNKHRKIETQUAPL-UHFFFAOYSA-N 425.533 4.405 10 20 IICD O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 917707874 ATHJOVFZFGNRSN-UHFFFAOYSA-N 434.511 4.415 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918220534 KSOVJHKVQBLZNT-RTBURBONSA-N 442.579 4.237 10 20 IICD COCCOc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1Cl 918546875 OVIZLYCSHHNQFO-UHFFFAOYSA-N 433.936 4.118 10 20 IICD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)c(C)o1 1808259295 MOTNAFJVDSNYGE-UHFFFAOYSA-N 446.931 4.120 10 20 IICD CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1831931318 XAEXXLKXBOTBIF-IBGZPJMESA-N 448.991 4.421 10 20 IICD COc1ccccc1CNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11646395 KROGTMPFSGBTOF-HXUWFJFHSA-N 437.565 4.146 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 302792494 LCHIAZKQWPWKTK-UHFFFAOYSA-N 433.942 4.391 10 20 IICD Cc1cc(-c2nc(-c3ccc4oc(N(C)C)nc4c3)no2)ccc1NC(=O)C1=S=CC=C1 545118251 DSPSJXHBSSMMQU-UHFFFAOYSA-N 445.504 4.135 10 20 IICD COc1ccc(CC[C@H]2CCCCN2C(=O)NCc2ccc(N(C)C)cc2)cc1OC 725860986 YYQGIKDTCIDPEK-JOCHJYFZSA-N 425.573 4.467 10 20 IICD CC(=O)Nc1ccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1 726628089 XYNGNXDEDMDFNP-HKWRFOASSA-N 425.579 4.373 10 20 IICD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc12 727243929 KUIJGMMSVUFQNO-UHFFFAOYSA-N 441.494 4.054 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1C 732910737 JGUFIXQZKSLFGA-UHFFFAOYSA-N 440.550 4.422 10 20 IICD COc1ccc(O)c(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c1 734018411 PWDKXLSTAAVJEH-UHFFFAOYSA-N 432.307 4.312 10 20 IICD O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 735516474 QCMHVPQMIPQWBL-LJQANCHMSA-N 445.441 4.418 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1 738441804 HZPUBCUZXFIGIK-UHFFFAOYSA-N 439.537 4.270 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc(S(=O)(=O)N(C)C)c1C 740800775 FWEXJMDGXBLGCA-UHFFFAOYSA-N 429.586 4.186 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1cccc(F)c1F 741541988 OKLLAXVYSUUVDU-IAGOWNOFSA-N 440.412 4.240 10 20 IICD C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1F 742755457 XHVMULYDSMPJRE-IIBYNOLFSA-N 429.536 4.377 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C(F)(F)F 743222906 WHJHVANNAIQOBD-UHFFFAOYSA-N 425.426 4.436 10 20 IICD C[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(N2CCOCC2)cc1 743564029 BRHQHAWQHFNWGT-INIZCTEOSA-N 426.948 4.261 10 20 IICD Cc1ccc(F)c(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 743572068 WMYABJFRXODLBI-UHFFFAOYSA-N 427.467 4.476 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1 743917154 GVMQYHGVBNAISG-UHFFFAOYSA-N 441.531 4.035 10 20 IICD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744474906 ZYHQLBDCPPMSOY-OAHLLOKOSA-N 443.455 4.045 10 20 IICD COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N)cc3)c2)cc1 746479344 UIKGEQJNHGLQOW-UHFFFAOYSA-N 445.928 4.008 10 20 IICD Cc1cc(-c2csc(NC(=O)c3ccc(C(N)=O)cn3)n2)c(C)n1-c1ccc(F)cc1 748831340 QATJCLJAGNOMJA-UHFFFAOYSA-N 435.484 4.103 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCSCC4)c(C)c3)CC2)cc1 750319856 DNZFCENOPUMBOT-UHFFFAOYSA-N 440.613 4.301 10 20 IICD COCCCOc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 751010268 JKAWNWIQDKDPLA-HDICACEKSA-N 445.535 4.176 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1c1ncc[nH]1 751412527 XSHAUMRCFDVZKQ-XERWBJCMSA-N 446.623 4.206 10 20 IICD C[C@@H](SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc2ccccc2[nH]1 752151471 IJPZGNOAXQRABO-SJLPKXTDSA-N 425.554 4.271 10 20 IICD CCCCOc1ccc(-c2nnc(CN3CCN(c4ccc(OC)c(F)c4)CC3)o2)cc1 753860581 IUZADCONLOWREB-UHFFFAOYSA-N 440.519 4.385 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 757551601 OCERJZKRAZSSKS-UHFFFAOYSA-N 440.905 4.498 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl 758163185 OVTDNBRGGBFVHU-UHFFFAOYSA-N 427.668 4.251 10 20 IICD CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4ccc(SC)cc4)cs3)cc12 762577559 FHHQLEBWWLEMNN-UHFFFAOYSA-N 432.552 4.431 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Br)c(O)c1 764414274 OJMNBPLTNNKZNO-CYBMUJFWSA-N 441.272 4.155 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCc4c(F)cc(Br)cc43)cc2)C1 765240786 BBMALBJRUNAWOB-VFNWGFHPSA-N 446.364 4.067 10 20 IICD O=C(Nc1sccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 767773177 FIFDMCQOVNMKIB-UHFFFAOYSA-N 436.533 4.263 10 20 IICD Oc1cc2c(cc1CN1CCN(Cc3ccc(-c4cccc(F)c4)s3)CC1)[C@H](O)CO2 768442658 YLNYJIINMKOXRV-JOCHJYFZSA-N 440.540 4.003 10 20 IICD CCOc1ccc(Oc2cc(CNCc3ccc([N+](=O)[O-])c(OC)c3O)ccn2)cc1 774977346 NZFIKFBJPYZMQA-UHFFFAOYSA-N 425.441 4.185 10 20 IICD C[C@@H](NCc1cc(Br)cc(Br)c1O)[C@@H](O)c1cccc(F)c1 776230732 LDYARDSGCAZLMK-RFAUZJTJSA-N 433.115 4.268 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1Cl 776405792 SDGFSFGUUVMMAE-GFCCVEGCSA-N 429.369 4.344 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)cc1 777446715 RWNYEEQGFIIYCD-UHFFFAOYSA-N 436.556 4.067 10 20 IICD O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 777648410 SAYLQHPTBDUNPP-CQSZACIVSA-N 432.325 4.448 10 20 IICD C[C@@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1ccc(N2CCOCC2)cc1Cl 777698069 ZMWLSNBUGLEUPR-QGZVFWFLSA-N 442.991 4.051 10 20 IICD Oc1cc(OCc2ccccc2)ccc1CN1CCC(Oc2cncc(Cl)n2)CC1 779190024 YNBVHEPYBRFYRK-UHFFFAOYSA-N 425.916 4.458 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)OCc3ccccc3)CC2)cc1 781931135 XSQCFRVGXNSMAV-UHFFFAOYSA-N 445.519 4.406 10 20 IICD Cc1oc2c(CN3CCN(C4CCOCC4)C[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1 782914657 UPAVYSDYMJDSKB-GOSISDBHSA-N 448.563 4.159 10 20 IICD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 784496732 AUMYQXYSNATPDA-RUZDIDTESA-N 425.573 4.037 10 20 IICD O=C(OCc1cccc2cccnc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O 785408099 QJKBWGHDKZWITL-UHFFFAOYSA-N 440.502 4.160 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC2(c3ccccc3)CCC2)cc1 785841824 HGCDUPYMLHJCSK-UHFFFAOYSA-N 445.563 4.113 10 20 IICD O=C(c1c(F)ccc(O)c1O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 789946888 NIQJBMJPRRVBPJ-UHFFFAOYSA-N 442.437 4.063 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1CCc1ccc(F)cc1 790590620 NFDSVKIWSULZFC-HMMYKYKNSA-N 428.554 4.106 10 20 IICD Cc1cc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1-c1ccccc1Br 791289695 POZRFDNUJKGLJF-UHFFFAOYSA-N 437.301 4.085 10 20 IICD Cc1ccccc1-n1nccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 792918642 BYRXUDGBGXSDON-UHFFFAOYSA-N 430.474 4.326 10 20 IICD Cc1cc(C(=O)CN2CCC(CS(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1 795254789 YZECDDZZCVNMJA-UHFFFAOYSA-N 430.614 4.157 10 20 IICD Cc1cc(-c2csc(NC(=O)C3(S(C)(=O)=O)CCC3)n2)c(C)n1-c1ccc(F)cc1 796531272 KUEUWXZAVKAKBW-UHFFFAOYSA-N 447.557 4.263 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc([S@@](C)=O)cc3)cc2Cl)C1 799994485 BFOYSGTVGPDTDI-HYDGNGQDSA-N 434.005 4.313 10 20 IICD COCCOc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1 801155839 REVICFNAPNFCFO-UHFFFAOYSA-N 435.524 4.028 10 20 IICD CCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801909626 DNCHMRWYOYYQGZ-UHFFFAOYSA-N 441.963 4.003 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCO4)SC2=S)c1 913517395 WROMZRYJGVYKHX-RQZCQDPDSA-N 446.937 4.475 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(I)o1 914506991 WSVWZCCRZJXUKX-BENRWUELSA-N 438.309 4.401 10 20 IICD Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1ccc(Br)cc1 915192992 CEDDRBOOSDWBFA-UHFFFAOYSA-N 442.361 4.005 10 20 IICD O=C(CCc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457893 QUSKXWNVPYPKGD-UHFFFAOYSA-N 426.866 4.444 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 916681213 MPRBHXUBARZMSJ-UHFFFAOYSA-N 439.556 4.174 10 20 IICD COCCOc1cc(C)ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 916696528 ISBYIIAFZPROOI-HDICACEKSA-N 445.535 4.095 10 20 IICD Cc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 916968612 YFUFOARCWLSDPN-ROKPMTFOSA-N 439.575 4.201 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2cccnc2)cc1 919790907 RYIZXJGHVJBNRY-HXUWFJFHSA-N 446.551 4.058 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 920869460 JWTZJGDTXGCYGB-CYBMUJFWSA-N 448.894 4.235 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3C[C@H](C)c4c(C)ccc(O)c43)CC2)cc1 1116565270 NEYHRZPNTJYNMM-LAUBAEHRSA-N 428.598 4.301 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1 1317904694 BLFRQKZOOQWKMR-UHFFFAOYSA-N 431.945 4.049 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC1 303367004 IVJGLRKSMBLFCG-UHFFFAOYSA-N 434.584 4.483 10 20 IICD CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 303845061 JALSNAKCVVWSCY-UHFFFAOYSA-N 448.611 4.085 10 20 IICD Cc1cccc(Cn2nccc2NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)c1 534025701 VPQUCYZGVNYZKS-UHFFFAOYSA-N 430.533 4.017 10 20 IICD CC1=CC(NC(=O)C(C)(C)C)=S=C1C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C 543225321 DSJRYTLQLCFXKR-UHFFFAOYSA-N 438.553 4.019 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)CC2)cc1 727590790 FYMXIRSIXWYGDR-UHFFFAOYSA-N 425.920 4.279 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N4CCCC4)cc3C)cc2F)CC1 730133604 ZZUAGSUBEJDGQD-UHFFFAOYSA-N 439.579 4.198 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c1 732910390 PGAAYVFCEFWUJC-UHFFFAOYSA-N 428.894 4.421 10 20 IICD C[C@@H](NC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 733658182 ROYLBUJJUWMVSE-DENIHFKCSA-N 425.573 4.212 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1OC1CCC1 735634504 SHPCUTZJOINHIL-UHFFFAOYSA-N 434.458 4.403 10 20 IICD CSCC[C@H](C)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 736063239 MFOYVKMOLQAIRE-UESPBHMZSA-N 428.670 4.330 10 20 IICD O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 741137221 PHPNPNAGUUQLBA-UHFFFAOYSA-N 435.914 4.221 10 20 IICD COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N(C)C)c(F)c1 741183844 FQUDNACCLWSELL-KRWDZBQOSA-N 437.353 4.166 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 743099333 TXCLYXAZTDJPJD-UHFFFAOYSA-N 446.345 4.409 10 20 IICD C[C@@H](Oc1cccc(Br)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 743338900 MKJPLOMXWQCQHB-DNVCBOLYSA-N 434.330 4.130 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3cnn(-c4ccccc4)c3)ccc21 744951344 QVPZAPHAJQCWMU-UHFFFAOYSA-N 431.492 4.130 10 20 IICD CN(C)C(=O)C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)c2ccc(Cl)cc21 745836852 IEMVIIUEYJBKJK-SFHVURJKSA-N 438.959 4.008 10 20 IICD COc1ccc(C)nc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 746653300 JXANMPORSCZQCS-RVDMUPIBSA-N 433.580 4.080 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 751306530 WGFVWMYTRPWCLR-UHFFFAOYSA-N 442.479 4.160 10 20 IICD CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC 753739507 XKURDZVSMGEYLL-UHFFFAOYSA-N 436.911 4.248 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)ccc2O)s1 756478093 FFZABVFQDRNMOA-GFCCVEGCSA-N 447.420 4.098 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc(OC)c1OC 759240808 ALSGNKVPCQQNSS-UHFFFAOYSA-N 430.570 4.005 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1cccnc1Sc1ccc(Br)cc1 762264404 WLCAFUMHIGBZQR-UHFFFAOYSA-N 445.338 4.379 10 20 IICD CCOc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(Cl)c1O 762581531 GHGDRVBFNXJQAK-KBPBESRZSA-N 436.911 4.127 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)sc2C)cc1 764527664 OSQCQLAEUFYSTR-UHFFFAOYSA-N 425.539 4.117 10 20 IICD O=C1/C(=C/c2cc(Br)cc3c2OCC3)SC(=S)N1CCc1cccnc1 764884793 GGRYRBNEBLNWHR-YBEGLDIGSA-N 447.379 4.223 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccc(NC(=O)c2cccs2)c1 765771208 VNQQYULIIUSVQY-UHFFFAOYSA-N 431.311 4.399 10 20 IICD Cc1cccnc1[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(C)C 769857932 AUVSOZLKKQJLOB-LJQANCHMSA-N 445.566 4.085 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 773588505 MKUSULDGQCNNFF-IIBYNOLFSA-N 444.373 4.401 10 20 IICD COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OCc2cccnc2)c1 774821392 PRWRMBZZVGIYDO-UHFFFAOYSA-N 433.552 4.138 10 20 IICD Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775138589 ORGIZGOIPNYECH-FUDKSRODSA-N 449.599 4.140 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1Cl 775208539 MOVSHAGJKYIEOV-UHFFFAOYSA-N 437.930 4.231 10 20 IICD CC(=O)N1CC[C@H](NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2ccccc2C1 779020218 KGHNIFWSLYDHJL-XFAGBWLFSA-N 425.548 4.022 10 20 IICD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 779481999 ATZGHKWSVLXSNR-VURMDHGXSA-N 434.458 4.253 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-n2cccn2)c1)c1ccc(N)cc1 783483539 ZVKMJEPIZKURSW-GOSISDBHSA-N 425.492 4.187 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]21 784223792 TZZYCHAYBVQKSB-ILWGZMRPSA-N 442.604 4.122 10 20 IICD CN(C)c1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1F 793371197 ULIYIDVTEKRWIX-MRXNPFEDSA-N 435.259 4.496 10 20 IICD Cc1oc2c(CN3C[C@@H](C)O[C@@]4(CCCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 794890375 OHYSYMCXBNLNLT-QUGAMOGWSA-N 435.520 4.244 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 797649296 UTRFMHRWXSSPSP-YOEHRIQHSA-N 434.920 4.452 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)cc1 799240648 LDLGLIBMBUOUAE-HSZRJFAPSA-N 438.572 4.115 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc([C@H]3CCOC3)n2Cc2cccs2)cc1 802696424 ABUKXIKLXKVVFY-IBGZPJMESA-N 425.602 4.374 10 20 IICD O=S(=O)(Cc1ccc(Br)cc1)NCc1cc(Cl)cc(Cl)c1O 805135862 VFDIXCDQNARQPA-UHFFFAOYSA-N 425.131 4.081 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(C(F)(F)F)cc1 806277642 GZTFBVXQDCXILH-HNNXBMFYSA-N 445.532 4.274 10 20 IICD O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807180715 LOIAPGLTZGDLID-NZQKXSOJSA-N 432.520 4.042 10 20 IICD CC[C@@H](C)N[C@@H](CNC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccco1 807445693 YDTNURZYKPMYCB-PBHICJAKSA-N 438.366 4.409 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Cl)cc1OC(F)F 807513064 RPXSXLBFFHFDSW-UHFFFAOYSA-N 439.629 4.209 10 20 IICD COc1cc(Br)cc(CNC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1O 808427708 BVSRYGYDFBHQAX-LJQANCHMSA-N 437.378 4.343 10 20 IICD c1ccc(CN2CCc3cc(CNCc4ccncc4OC[C@H]4CCOC4)ccc32)cc1 808436513 YTVWNWNAVKBFSN-QHCPKHFHSA-N 429.564 4.349 10 20 IICD Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c1C 812392460 NKVCJTIDCKOVAO-VQTJNVASSA-N 436.556 4.413 10 20 IICD O=C1N[C@H](c2ccc(N3CCCCC3)c(Br)c2)N2CCc3ccccc3[C@@H]12 877857049 KTYMUWBBEAQSEU-SFTDATJTSA-N 426.358 4.167 10 20 IICD Cc1ccc(CN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)CC2=O)cc1 914454654 JSMUNIFBHMKUNZ-QHCPKHFHSA-N 445.563 4.232 10 20 IICD CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 914525433 WDAJSPMZUFYGLP-UHFFFAOYSA-N 444.443 4.087 10 20 IICD CCCC(=O)Nc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916514110 XBDMVNUWNIRUAC-OAQYLSRUSA-N 425.529 4.022 10 20 IICD CC(=O)Nc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1C 916680381 IZGLLKFGQQPICG-HZPDHXFCSA-N 428.508 4.028 10 20 IICD COC(=O)Nc1ccc(CNC(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)cc1 917085434 MNZIMQRNHIFTBI-UHFFFAOYSA-N 433.508 4.197 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1OC 918660259 BLKNTXIVEISSEU-UHFFFAOYSA-N 441.553 4.425 10 20 IICD COc1ccc([C@@H](C)N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 932300684 GAEXEZLZMVOVQJ-CQSZACIVSA-N 444.443 4.212 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1)c1cc(O)nc(O)c1 1788425404 MZLOGARXOTYKFW-UHFFFAOYSA-N 445.466 4.066 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775516 APXMHELPPMYLND-UHFFFAOYSA-N 426.856 4.406 10 20 IICD CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)SC1=S 15187861 NWRJTYDFPOYIJF-VGOFMYFVSA-N 425.507 4.327 10 20 IICD COCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 108661549 MLNRKXLMZYEBSV-UHFFFAOYSA-N 439.600 4.222 10 20 IICD Cc1cc(C(=O)NC2CCN(CC3CC3)CC2)c(C)n1-c1cccc(Br)c1 195587113 QPFQBUBWDYTEAJ-UHFFFAOYSA-N 430.390 4.461 10 20 IICD COc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)ccc1OC(F)F 727176044 FGYGDXHMNCHNJX-DHDCSXOGSA-N 430.542 4.086 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 728839546 HRVKFMDUQBXWJZ-UHFFFAOYSA-N 448.894 4.014 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1 729053658 QXZZFTKOHGEZKY-QMHKHESXSA-N 430.508 4.437 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1 729313928 BLZRRYRUAMZYIQ-UHFFFAOYSA-N 431.536 4.392 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 731756308 HTIWIWXNRRFYDB-VWLOTQADSA-N 442.563 4.336 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CCC[S@](=O)c1ccc(Br)cc1 731863653 AFLKZTZSAXAMIE-SANMLTNESA-N 437.403 4.062 10 20 IICD CN(C)C(=O)COc1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 731900136 GHGPHSWUJDLYNG-UHFFFAOYSA-N 425.529 4.226 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cc1 742749700 KLWPHDSJPGCUQE-NRFANRHFSA-N 436.556 4.240 10 20 IICD Cc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 743930804 RMQGACZODYFGLV-JOCHJYFZSA-N 441.491 4.271 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(OC)nc2ccccc12 745878479 PEFVFONCCSMUOS-UHFFFAOYSA-N 444.329 4.443 10 20 IICD CSc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 747575170 PPPPMDQNTJVJGP-OAHLLOKOSA-N 432.977 4.085 10 20 IICD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)NCc1ccccc1O)CC2 748445242 WIBYGNBVMXMSCB-UHFFFAOYSA-N 447.535 4.289 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCc1ccc(N(C)C)cc1C 750629046 KBRPQDVLIYUKSC-UHFFFAOYSA-N 438.572 4.408 10 20 IICD CN(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccccc1)c1ccc(F)cc1 759594898 NZWCMVJMZKJWCI-WCLOKENTSA-N 435.451 4.041 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1Cc2ccccc2C1 762482577 GWGAMCZXEZPLAG-AQTBWJFISA-N 428.604 4.013 10 20 IICD O=C(NCCCSc1nccs1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762980313 NOYHOIPKFVUCSX-UHFFFAOYSA-N 437.949 4.498 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(SC)c(OC)c3)CC2)cc1 764685611 WUNSGSSQODSQGO-IBGZPJMESA-N 429.630 4.289 10 20 IICD OC1CCN(c2ccc(CNC3CCN(Cc4ccccc4Cl)CC3)cc2F)CC1 765286359 KVGVAQRGMXGWEF-UHFFFAOYSA-N 431.983 4.194 10 20 IICD Cc1cc(C(=O)NC2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c(C)o1 769317978 DPYQJSPPXBEJDY-UHFFFAOYSA-N 440.544 4.189 10 20 IICD Cc1cccc2c1CCCN2C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769860379 XIXKEDGVHSTOJY-UHFFFAOYSA-N 428.535 4.156 10 20 IICD CC(C)(C)c1cnc(SCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)s1 769864663 DZNXONRLZAZWKQ-OAHLLOKOSA-N 440.587 4.016 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2nnnn2-c2ccccc2)cc1 772106824 NRMDWVVTJJPIBX-UHFFFAOYSA-N 426.484 4.074 10 20 IICD C[C@H](CCc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 774542582 LBPJNASGRGEWLC-HXUWFJFHSA-N 433.552 4.012 10 20 IICD O=C(CN[C@H](c1ccc(Cl)cc1)C1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 775378347 IEXLEERKJYNMGH-DEOSSOPVSA-N 445.966 4.063 10 20 IICD CCCCNC(=O)C1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775651063 KGDPREKHNXEAEL-UHFFFAOYSA-N 448.199 4.046 10 20 IICD Cc1cc(Br)cc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)c1O 775756383 HMSOVNQHQSLIOE-UHFFFAOYSA-N 448.766 4.152 10 20 IICD CC(C)Cn1cnc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776744174 QWXPRTOHGJNLLR-UHFFFAOYSA-N 428.539 4.322 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 784026620 WILXNRFXDOYMKC-UHFFFAOYSA-N 441.528 4.425 10 20 IICD COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OC(F)F)c1 788779835 FCHSAYCTEIGYLI-UHFFFAOYSA-N 442.409 4.297 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(OCCC(C)C)c1 790664169 WATNSXIYBJDDKQ-UHFFFAOYSA-N 439.556 4.074 10 20 IICD COc1ccc(CN(CCc2ccccn2)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 793044341 WATNIXGBYJBZIQ-UHFFFAOYSA-N 442.563 4.421 10 20 IICD CNC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 797395785 CMLDDAWKCAMAOO-OAQYLSRUSA-N 429.480 4.034 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc([S@](C)=O)cc2)cc1 797870754 MGQAORLZGVXLSM-HKBQPEDESA-N 436.577 4.275 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1F 799187190 NYEWBHOQXFKXDU-UHFFFAOYSA-N 431.514 4.252 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1[N+](=O)[O-] 800636613 LNYQLSAHMSTPRG-AWEZNQCLSA-N 444.919 4.048 10 20 IICD C[C@H](NC[C@@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1Cl 802315916 FUAFDRORDGLRKO-VBKZILBWSA-N 439.781 4.323 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1 802352265 RDIMDZHVZNFJRW-HXUWFJFHSA-N 425.529 4.214 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 804268552 HHBHDAWMOVTMEQ-UHFFFAOYSA-N 435.955 4.348 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccc2oc(O)nc2c1 805194571 JIIDWMRAWMDHKW-UHFFFAOYSA-N 442.519 4.150 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1c(C)c(C(F)(F)F)nn1C 806423826 JMRBDWPSOHBGOA-UHFFFAOYSA-N 435.244 4.269 10 20 IICD COc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1C(C)C 807512916 BMBKJSYIFPWECS-UHFFFAOYSA-N 441.311 4.095 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCC(F)(F)C3)cc2Cl)C1 807953550 UZDRKWAJKMWFIR-WBVHZDCISA-N 441.950 4.134 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1 811537007 JXEJVSGJUIAOKB-UHFFFAOYSA-N 443.352 4.090 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)C2(C(F)F)CCCC2)NC(=O)OC(C)(C)C)cc1 813465990 XCUFHOBQDWCSMA-KRWDZBQOSA-N 425.520 4.260 10 20 IICD Cc1sc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(C(=O)OC(C)C)c1-c1ccccc1 913193760 XZRWVBHMVAWLDU-MRXNPFEDSA-N 426.538 4.238 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)sc2n1 916525717 VHTALKQAOVFREM-SECBINFHSA-N 439.324 4.381 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 917751175 CWMQQXRKVIBOFO-UHFFFAOYSA-N 430.507 4.148 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 918069934 VOSHELJQOAEVEF-UHFFFAOYSA-N 441.881 4.278 10 20 IICD O=C(NCc1cccc(OCc2ccccc2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918205916 WYRHQYFZBPWSSH-UHFFFAOYSA-N 449.526 4.241 10 20 IICD O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O 1251483503 ZDDGTDBSCGHNQW-OAQYLSRUSA-N 433.508 4.002 10 20 IICD COc1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OCC(C)C 1318339847 XTCJDJJPCUVYMB-LJQANCHMSA-N 429.580 4.472 10 20 IICD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCC1 1818951002 VXRPNUYPTHUUSP-INIZCTEOSA-N 446.935 4.361 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCCSC2)C3)cc1 1845399559 LKVTXYFKKNLJJQ-OAQYLSRUSA-N 437.609 4.054 10 20 IICD CCCn1c(-c2ccncc2)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S 108220313 VBTIHIUNPADVDZ-UHFFFAOYSA-N 438.601 4.064 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 195709151 FMCUZOQRXYUZID-UHFFFAOYSA-N 442.519 4.452 10 20 IICD COc1cc(N2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)cc(OC)c1OC 302151860 KUOCTWUVLCPQON-UHFFFAOYSA-N 449.338 4.289 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cn(-c2ccc(F)c(Cl)c2)nn1 543947529 LELGJSZCTKSWFP-YRNVUSSQSA-N 428.254 4.367 10 20 IICD CN(C)c1ccc(CN(Cn2c(S)nnc2Cc2cccs2)CC(F)(F)F)cc1 728904373 OHIVETULRUEHLM-UHFFFAOYSA-N 441.548 4.307 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1C 729579431 LEGRXHYCUDABIT-UHFFFAOYSA-N 430.574 4.069 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)c3sccc3Br)cc2)CC1 731038149 GHNPZXBAXAMVPO-UHFFFAOYSA-N 429.405 4.225 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 731169426 MJFQPMZAWDEZDP-HXUWFJFHSA-N 447.501 4.196 10 20 IICD COC(=O)CN(Cc1csc(-c2cccc(OC)c2)n1)Cc1cc(Cl)ccc1O 732202969 KIVTZOWXCQWVCW-UHFFFAOYSA-N 432.929 4.353 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 732703853 FIEBCQGQFVAVQJ-UHFFFAOYSA-N 443.547 4.211 10 20 IICD COc1cccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC(F)F 733334502 LAEYOJPKGZFYJG-KRWDZBQOSA-N 426.891 4.410 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3cc4ccccc4o3)cc2F)C[C@H](C)O1 740032773 STFCGJBARKOIBU-IRXDYDNUSA-N 425.504 4.227 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)C[C@@H]3CCOC3)c2C)ccc1Br 740384397 PNXHOZKEFXHICC-INIZCTEOSA-N 434.330 4.318 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 741066928 BWNPRDQYTAEFQE-UHFFFAOYSA-N 447.560 4.358 10 20 IICD Cc1nc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccc12 743580956 KPRZOGQNKTTXGZ-INIZCTEOSA-N 441.482 4.008 10 20 IICD CCC[C@@H](CC)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 743838448 WZBKOFWEXWNFHL-MFYHJKBNSA-N 441.416 4.345 10 20 IICD Cc1ccc(N=Nc2cc(C)ccc2NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744348586 BEMSYLBSIRDKOE-SCPDWHHUSA-N 446.507 4.210 10 20 IICD O=C(N[C@H](CN1CCOCC1)c1ccccc1)N(Cc1ccccc1O)C1CCCCC1 745359293 IVCBKFWJJLSEFD-XMMPIXPASA-N 437.584 4.310 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 745917592 MMZAXGQQASCWLT-LLVKDONJSA-N 425.327 4.128 10 20 IICD CCOc1cccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 748041827 DVKXNAZIHUJBFG-CQSZACIVSA-N 446.550 4.144 10 20 IICD CC(C)[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1 751612187 OVIWFNPLGLZMHG-NRFANRHFSA-N 432.515 4.391 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 753800347 RJGUHFQVJZTXHE-UHFFFAOYSA-N 425.529 4.239 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 754918524 BNIRJTUGHRGBTF-UHFFFAOYSA-N 444.535 4.461 10 20 IICD C[C@@H](NCCCOC[C@@H]1CCCO1)c1cc(Br)cc(Br)c1O 756357092 BMUBRWVQGAMLRH-YPMHNXCESA-N 437.172 4.154 10 20 IICD C[C@H](NCCCOC[C@H]1CCOC1)c1cc(Br)cc(Br)c1O 756604682 OYNFJFRASRRFIR-NWDGAFQWSA-N 437.172 4.011 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccnc1OCc1ccccc1F 765752726 ZHOBVTMSQLOFHO-UHFFFAOYSA-N 431.261 4.198 10 20 IICD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1cccc(Br)c1O 765770990 UUUKLNZSDMGEPJ-UHFFFAOYSA-N 436.693 4.107 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 772625226 DVQJBHRRRCOYMS-GOSISDBHSA-N 445.844 4.419 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc(N(C)C)cc1 773615387 WVCPHBQMYQLTSQ-YLJYHZDGSA-N 434.540 4.164 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)cc1 775565849 RDGCUAYJKYKPAM-CHWSQXEVSA-N 430.339 4.115 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1ccc(N2CCOCC2)c(F)c1 780590230 KDBMWVLPNQMLDV-UHFFFAOYSA-N 443.563 4.288 10 20 IICD Cc1cc(Br)cc(CN[C@H](CCO)c2ccccc2Br)c1O 781927585 OXOSTCLGQWGIRK-MRXNPFEDSA-N 429.152 4.439 10 20 IICD CN(Cc1nccn1CC(F)(F)F)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 784380125 YZJIVVGALXYOEJ-UHFFFAOYSA-N 444.417 4.458 10 20 IICD CCc1c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccc(Cl)cc1 792488867 SFNWSGDTTJGGNT-UHFFFAOYSA-N 439.947 4.451 10 20 IICD C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cc2c(cc1O)CCCC2 793558811 IAACKBKQTWDPGG-DXPJPUQTSA-N 433.552 4.347 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 796504283 MHFCIWNVLIJISB-UHFFFAOYSA-N 437.584 4.100 10 20 IICD CC(C)(C)c1ccc([C@@H](O)CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 798297432 WAAVSKRKKXAYBO-DEOSSOPVSA-N 442.575 4.214 10 20 IICD COc1ccccc1[C@@H](CO)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 799993247 FIHWHHGGQDAEPN-OXJNMPFZSA-N 431.964 4.118 10 20 IICD O=C(NCc1cccc(Br)c1O)c1nc(Br)sc1C1CC1 807417477 YUXDCXXFNWRGGT-UHFFFAOYSA-N 432.137 4.181 10 20 IICD CC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1O 810212428 AYRKOYMQVXHHLT-NRFANRHFSA-N 438.490 4.363 10 20 IICD CCCCc1noc([C@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1 913224503 ZANFFJLTDKHSGR-LBPRGKRZSA-N 449.419 4.014 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 914505594 MPAWZYPZABBBCD-UHFFFAOYSA-N 440.565 4.370 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 916503286 MRGHOQXQEFEQIL-UHFFFAOYSA-N 426.542 4.002 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1 918434949 XEXLPEWDZZUXBS-UHFFFAOYSA-N 447.583 4.156 10 20 IICD C[C@@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1116172270 ZIWNWEDPQHHPLS-CYBMUJFWSA-N 449.409 4.026 10 20 IICD c1csc(-c2noc(CCCN3CCN(Cc4ccc(N5CCCC5)cc4)CC3)n2)c1 1319934297 ZRAQGCDHLJFRJM-UHFFFAOYSA-N 437.613 4.149 10 20 IICD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc(N3CCCC3)cc2)N1 1324230165 BJZPVYVENSIURH-MHZLTWQESA-N 427.548 4.496 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)CC2)cc1 108885166 LKALSGFQBWPVOW-UHFFFAOYSA-N 428.960 4.136 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 248133797 MCQDAPCVIFOMQH-SFTDATJTSA-N 429.358 4.300 10 20 IICD O=C(Cc1occc1C(=O)N1CCc2c(F)cc(F)cc21)N1CCc2c(F)cc(F)cc21 498170761 MDUOCPKAQUSZIQ-UHFFFAOYSA-N 444.384 4.171 10 20 IICD COc1ccc(Br)c2[nH]c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc12 608250468 RVZDPXLHSKFXFD-UHFFFAOYSA-N 430.302 4.044 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 613786347 GOUGINZXRFKEKX-RVDMUPIBSA-N 446.894 4.495 10 20 IICD Cc1cc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(C)n1-c1ccccn1 726166293 NYSIITZOBCPPOO-SFHVURJKSA-N 445.567 4.236 10 20 IICD C[C@H]1CN(Cc2cccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)CCO1 726241421 HCBACSUIAKKSOY-FQEVSTJZSA-N 449.551 4.118 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@H](c2ccccc2)C1 726722379 QUQKBTNWTWZJSU-NRFANRHFSA-N 431.483 4.040 10 20 IICD CNC(=O)COc1ccc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 729435219 KCHVHCVIWGTEDF-UHFFFAOYSA-N 425.916 4.054 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc4cnccc34)c2C)cc1F 731345997 PBUHUSQASRRCLU-UHFFFAOYSA-N 432.503 4.039 10 20 IICD O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 731855752 AJGCAHZVCMUJLT-OXJNMPFZSA-N 446.956 4.056 10 20 IICD CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1F 732046957 RJHNJYODCAAMLL-UHFFFAOYSA-N 431.436 4.189 10 20 IICD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCSc3nccs3)cc2[N+](=O)[O-])C1 733971719 CQFRLYSEMODEBN-GASCZTMLSA-N 434.587 4.446 10 20 IICD O=C(CC1CCCC1)NC1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 735519767 UQLZPKFERZIUNG-IQWMQGJTSA-N 442.600 4.155 10 20 IICD CC(C)OCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc2ccccc12 736196658 SQZDKSHVTJIKJW-UHFFFAOYSA-N 436.552 4.497 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(-n3cccn3)ccn2)c(C)n1-c1ccc2c(c1)CCC2 736854259 DVTZULXROOBKBL-UHFFFAOYSA-N 440.503 4.203 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(CCc2ccncc2)n1 743188965 XLZURHJIYCTNRA-UHFFFAOYSA-N 444.333 4.043 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Oc1cccc(OC)c1 745884035 XACMJTHUDNPMIW-AWEZNQCLSA-N 437.334 4.162 10 20 IICD Cc1cc(C(=O)NCCn2cnnc2C(C)C)c(C)n1-c1ccccc1Br 746286811 VZIBVWGZGFTTBV-UHFFFAOYSA-N 430.350 4.002 10 20 IICD Cc1cc(C(=O)COc2cccc(CC(N)=O)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1 747086889 JDOVPXGAZZHQGM-UHFFFAOYSA-N 446.425 4.282 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnc2ccccc12 748698815 SFJOJDZMARFLGC-UHFFFAOYSA-N 429.442 4.329 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)c2C)c1 749364510 WGDLQMAEKBOLIE-UHFFFAOYSA-N 430.552 4.141 10 20 IICD O=C(NCc1ccc(OC2CCCCC2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 750322643 KIUVTIGZYIEHPD-JOCHJYFZSA-N 439.556 4.390 10 20 IICD C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)cc(F)c1O 756355114 NDQHXPWWHQHMKI-LRDDRELGSA-N 429.355 4.079 10 20 IICD C[C@@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)c(F)cc1O 756735449 CVZVXDCPOGFYHQ-AUUYWEPGSA-N 435.337 4.178 10 20 IICD Cc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)c1 765671731 XQVSCHZIBRXBGX-CPJSRVTESA-N 430.552 4.376 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(C)C)c(OC)c3)cc2F)CC1 767973356 BNFHOZNKBIADNG-UHFFFAOYSA-N 444.551 4.085 10 20 IICD CCO[C@@H](C)c1noc(CN(C)Cc2cc(Br)cc(Br)c2O)n1 775724592 IBHRZIXLGYNGRU-VIFPVBQESA-N 449.143 4.030 10 20 IICD CC(C)c1ccc(C2(O)CCC(NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 781892149 WCZWHECDXHMEBF-NTRJEVEDSA-N 449.639 4.432 10 20 IICD CC[C@H](Nc1cccc(N2CCN(C(C)=O)CC2)c1)c1cc(Br)ccc1O 783298634 NNYSXXTYEJBYIX-FQEVSTJZSA-N 432.362 4.386 10 20 IICD O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NCCc1ccc(O)c(O)c1 787130918 CMWNSVHHXKTXNE-UHFFFAOYSA-N 436.295 4.136 10 20 IICD COc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)cc1C 794368225 XGQUWOIBIGBBIU-UHFFFAOYSA-N 432.523 4.132 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cs1 797668142 KAKIBDWSXYFFKO-SFHVURJKSA-N 449.580 4.142 10 20 IICD Cn1nccc1[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 800796728 LWYZTMJGSFOFRN-MBSDFSHPSA-N 442.523 4.347 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl 806860135 IEDIRVGXOQVHGY-IIBYNOLFSA-N 432.948 4.067 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)oc1ccccc12 807386676 DVJVOGLLUGONAE-UHFFFAOYSA-N 439.265 4.309 10 20 IICD COc1cc(Cl)cc(CN[C@H](C)c2ccc(Br)cc2OCCCO)c1O 812783891 MGBARMSTCFZSTM-GFCCVEGCSA-N 444.753 4.429 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 814880165 SUOVVBSQELLYIM-UHFFFAOYSA-N 436.434 4.203 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1C 914874963 NSRKGTQKLINMPF-UHFFFAOYSA-N 440.493 4.223 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 916387071 ZIDPGGBHPUMJAJ-NHCUHLMSSA-N 438.616 4.094 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 916697380 KWVAWVGPULADRW-OALUTQOASA-N 440.613 4.175 10 20 IICD CCCC(=O)NC1CCN(CC(=O)c2cc(C)n(-c3ccc(OCC)cc3)c2C)CC1 917109686 CQIZLUZOIMOJQL-UHFFFAOYSA-N 425.573 4.056 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3Cl)cc2F)C[C@@H](C)O1 917168418 PCGDDFCUTQRNPN-ZIAGYGMSSA-N 441.330 4.441 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)cc2F)C[C@@H](C)O1 917707851 CMBGVMJGTMPDMW-GASCZTMLSA-N 440.437 4.153 10 20 IICD CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@H](C)c1ccc(F)cc1 918197758 LGLLFYGCCRNBAB-HXUWFJFHSA-N 442.579 4.139 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@H]1c1ccccn1 919870897 LVAJGUYFFGNHFS-AATZCTEQSA-N 443.619 4.488 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2csc(COc3ccc(C)cc3)n2)SC1=S 920471768 JMOJCDPRZXKCFB-MHWRWJLKSA-N 448.591 4.185 10 20 IICD Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)c(F)c3)SC2=S)c1 1115864047 UABMROISXLLFNM-ZHZULCJRSA-N 427.570 4.292 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(CC(C)C)cc3)n2)cc1 1322376784 IMAVWAPXUUKUAY-UHFFFAOYSA-N 443.594 4.446 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCO3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1785890478 WFXTZPGSWQLGKJ-LJQANCHMSA-N 444.915 4.068 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825795947 CGZVYGQNYJDVKJ-SFHVURJKSA-N 448.972 4.360 10 20 IICD COc1ccccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845399164 WYNLSGZOGJSBFG-UHFFFAOYSA-N 443.547 4.234 10 20 IICD COc1ccc(N2CCCN(C(=O)c3[nH]c4ccccc4c3Br)CC2)cc1 108690804 VJGPQYZTSOZMMY-UHFFFAOYSA-N 428.330 4.292 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCCOc1ccccc1 109622011 HTYDFISFRZMYFG-UHFFFAOYSA-N 435.471 4.400 10 20 IICD COc1cc(CCC(=O)NCc2ccc(N3CCCC3)cc2)ccc1OCC(F)(F)F 109971699 PHVBQTKSSNHQGP-UHFFFAOYSA-N 436.474 4.486 10 20 IICD COc1ccc(C(=O)Nc2cccc(CNCc3ccc(N4CCOCC4)cc3)c2)cc1 237494953 WUIYKNVXJNIAQH-UHFFFAOYSA-N 431.536 4.074 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)ccc1O 726801245 FIVZVTBZBZJZKU-MOSHPQCFSA-N 443.546 4.006 10 20 IICD COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 727802652 WXMUTDJPWLWOSO-WOJBJXKFSA-N 448.394 4.044 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 728981221 VUHRYPAJNUJYBU-YPMHNXCESA-N 447.582 4.227 10 20 IICD O=C(CN1CCCc2cc(OC(F)F)ccc21)N[C@@H](c1ccccc1)c1nccs1 731030126 DJEUYYWOUWXGFX-FQEVSTJZSA-N 429.492 4.403 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)cc1F 731346386 VPUFWFURWRMASO-UHFFFAOYSA-N 432.503 4.039 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1 731845376 YTFCEGKZGYWAKS-HSZRJFAPSA-N 448.567 4.205 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)CC2)cc1 732458492 ICABKJXXRWYIND-HXUWFJFHSA-N 438.355 4.004 10 20 IICD C[C@H]1CSCCN1C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 737709036 CWYATGKXEAZRAY-RNXZQOMOSA-N 444.666 4.441 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 742371270 NCEOHKJCPMUKLO-INIZCTEOSA-N 440.874 4.130 10 20 IICD CCOCCOc1ccc(Br)cc1/C=C1/SC(=S)N(C2CC2)C1=O 742834216 NYCQCEFSLXNEGM-XNTDXEJSSA-N 428.373 4.228 10 20 IICD CNC(=O)Cn1ccc2ccc(NC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc21 743203919 BMVLOHAMNHJTSN-UHFFFAOYSA-N 447.583 4.478 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCC(F)(F)C(F)F 744677606 KVXSCVMYOKMWMX-YFHOEESVSA-N 427.466 4.173 10 20 IICD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C 745116843 FVOSFPPBNOLYMV-UHFFFAOYSA-N 447.535 4.136 10 20 IICD CCOC(=O)c1cnc(C(=O)N(CC)Cc2cc(Br)ccc2O)c(Cl)c1 746218577 HOIDNPKVGCEMRC-UHFFFAOYSA-N 441.709 4.042 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc23)cc1C 751144933 FXWDSLBWLFFTRP-UHFFFAOYSA-N 444.987 4.426 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn(-c2cccc(C(F)(F)F)c2)nn1 751306278 RISGVGQSQGJBRC-UHFFFAOYSA-N 449.396 4.248 10 20 IICD CC[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)CCO1 752846025 RAYNBTGVYGNPCP-IRLDBZIGSA-N 435.572 4.004 10 20 IICD Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 754199560 IMQGYVMPHCAWOH-UHFFFAOYSA-N 427.504 4.418 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)ccc21 754534282 DMEWPFOOVCQVNA-HXUWFJFHSA-N 444.512 4.157 10 20 IICD C[C@H]1CCN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2S1 756334871 DHUXLHGDOOMUON-ICSRJNTNSA-N 426.582 4.291 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)cc1OC 756434891 VFDSCADIOLKAQD-GFCCVEGCSA-N 427.328 4.073 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc(OC)c1OC 759222875 YGTPZVUQSDEGRU-UHFFFAOYSA-N 440.471 4.074 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 761965119 SKZAVQSSPYGLRX-UHFFFAOYSA-N 445.567 4.159 10 20 IICD CCOC(=O)c1sc2ncnc(N(Cc3ccccc3O)C[C@H]3CCCO3)c2c1C 762177307 MKWLGSDMPGFKPQ-MRXNPFEDSA-N 427.526 4.068 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 764804308 DWJRWAMZXLIUIR-LBPRGKRZSA-N 442.716 4.025 10 20 IICD COCCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 765077001 FQESYNOAQRUSNX-KRWDZBQOSA-N 438.490 4.418 10 20 IICD CC(C)(C)c1cc(NC(=O)NCc2cccc(Br)c2O)n(-c2ccccn2)n1 765344717 OZZSIUAEWYINIY-UHFFFAOYSA-N 444.333 4.355 10 20 IICD Cc1nn2c(CN[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c(C(C)C)nc2s1 766468883 KDEWZSIDGQCMOK-KRWDZBQOSA-N 434.009 4.336 10 20 IICD Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)c2)n1 767381669 IGJPBILFLJCHOA-UHFFFAOYSA-N 431.584 4.331 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4c(cnn4C(C)C)c3=O)c2C)c1 768467274 VODIRAWVWASNCD-UHFFFAOYSA-N 435.553 4.186 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 770302741 YLINUWZCCCSQEG-GDBMZVCRSA-N 449.382 4.256 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771060071 TVNWFTDDCWIIAN-CRAIPNDOSA-N 432.923 4.174 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(Oc4ccccc4)cc3)nc12 775333584 UOFBLPIDOGWTKZ-INIZCTEOSA-N 432.480 4.255 10 20 IICD CC[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O 775498169 HULPQCPXEYMHEK-SFTDATJTSA-N 432.406 4.184 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 781375491 KEQLXKNETBVNET-UHFFFAOYSA-N 441.336 4.000 10 20 IICD CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc2C1 783483102 NEDDLFJQAXLXIU-BXKMTCNYSA-N 429.520 4.115 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 783831290 UOKVLINJSUAPTD-UHFFFAOYSA-N 437.930 4.231 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C/c3c(Cl)cccc3Cl)cc2)CC1 786259441 PZSNOSQZMCKRDG-JQIJEIRASA-N 446.378 4.382 10 20 IICD CN(Cc1ncnn1CC(F)F)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 786493916 OIVIQRDHSDBGFV-UHFFFAOYSA-N 427.459 4.297 10 20 IICD C[C@@H](O)CSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 788097313 IMYMEHVPRJPHAT-ONDHQXCVSA-N 447.507 4.212 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3c(-c4ccccc4C)noc3C)cc2F)CC1 793455271 BEXUEEOFQDITOK-UHFFFAOYSA-N 436.531 4.169 10 20 IICD COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1 793555470 YMSGMRFYAHKRLY-HSZRJFAPSA-N 436.508 4.146 10 20 IICD CO[C@@H]1CCC[C@@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 793570545 GCYIEEZZJODMRL-DUXKGJEZSA-N 433.593 4.030 10 20 IICD CN1CCN(c2ccc(/C=C/c3nc(O)c4cc(Br)sc4n3)cc2)CC1 794946748 YHEYOBBSVUDADL-QPJJXVBHSA-N 431.359 4.082 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)o1 796732334 MXLIFGBQEGDDTL-LJQANCHMSA-N 447.535 4.216 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 798337654 CCTBKSDVYDNTMQ-OAHLLOKOSA-N 444.940 4.097 10 20 IICD Cc1ccc(-n2[nH]c(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)cc2=O)cc1 800571283 HUUFYTDFEISRPR-QGZVFWFLSA-N 438.959 4.294 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cnc4ccccc4c3)cc2Cl)C1 800637017 SEWASDBTZXQSKZ-INIZCTEOSA-N 436.943 4.379 10 20 IICD COc1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc(Cl)cc1C(=O)N(C)C 803799242 YXIRZBUKERZTHJ-UHFFFAOYSA-N 426.904 4.105 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccnc(Oc2ccc(F)cc2F)c1 804253329 QLJUSIKNHGYSKE-UHFFFAOYSA-N 445.809 4.480 10 20 IICD Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 805167880 QMGNBXDUNBIRFP-RYUDHWBXSA-N 426.319 4.380 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(F)ccc1N1CCCCC1 807511524 NTMNDQGILSXYGC-UHFFFAOYSA-N 440.302 4.083 10 20 IICD C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cc(Br)cc(Br)c1O 808729506 KWBZPCYVOXZNPL-QPWKKTDDSA-N 443.135 4.062 10 20 IICD COc1cc(Br)cc(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1O 809704282 YDFFQQADDVDZPA-JOCHJYFZSA-N 431.374 4.261 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(-c2ccccn2)cc1 810351348 KSEWBDLLGVNQQG-UHFFFAOYSA-N 428.536 4.336 10 20 IICD COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2Cc2cccs2)c(OC)c1 812356604 RSBZXGMUXYMMJU-UHFFFAOYSA-N 436.537 4.414 10 20 IICD COc1cccc(OCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1 916969621 AMSLSAOLOJMCBG-UHFFFAOYSA-N 447.399 4.361 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 918437451 HJYCRPHQDXSREA-UHFFFAOYSA-N 446.016 4.273 10 20 IICD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918463681 UPCMVGRYFURACP-UHFFFAOYSA-N 433.424 4.274 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 919779441 VNKPQTVBZTZUFC-HSZRJFAPSA-N 425.598 4.131 10 20 IICD C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 920869279 RHSMBAPBGSVRKA-IBGZPJMESA-N 436.556 4.032 10 20 IICD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 1116511330 PDSQUMDCKVQLMX-KRWDZBQOSA-N 439.947 4.449 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1c[nH]c(C(F)(F)F)c1 1324650237 SZERJZAASMOYPF-UHFFFAOYSA-N 439.444 4.144 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1 1344042406 GTRITQULFPCHHE-UHFFFAOYSA-N 448.932 4.082 10 20 IICD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)c[nH]1 1800514231 CPSZRVBKFRNXJF-VILGAWFOSA-N 430.552 4.296 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(F)F)CC3)cc1 1823438255 GFPJVRLINFHZGV-OAHLLOKOSA-N 444.507 4.042 10 20 IICD CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)c2ccc(C)nc21 3366409 LCDXKYJRDPAZMG-UHFFFAOYSA-N 443.503 4.172 10 20 IICD CC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1 25267600 KVWOPAUPWZBNOS-UHFFFAOYSA-N 439.489 4.169 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(-c4nnco4)cc3)c2C)cc1 28082839 LLKBVZJLOJVEPD-UHFFFAOYSA-N 431.448 4.192 10 20 IICD CC(=O)N(c1ccc(F)cc1)c1nc(CNCc2ccc(N3CCOCC3)cc2)cs1 236802172 GMYWDKWXNLDHDI-UHFFFAOYSA-N 440.544 4.093 10 20 IICD Cc1c(CNC(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)n(C)c2ccccc12 460678898 RSNNAWXRRIQSGH-MRXNPFEDSA-N 435.450 4.411 10 20 IICD O=C1/C(=C\c2ccc(-c3cccc(F)c3)s2)SC(=S)N1CCCN1CCOCC1 725904801 PVEDQTWBJQGOSO-XMHGGMMESA-N 448.610 4.478 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1 728207209 IDPQOOVRLAVMNU-UHFFFAOYSA-N 432.568 4.319 10 20 IICD CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731049373 WOXBAHZQIBERPU-RBBKRZOGSA-N 428.621 4.149 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccnc2OCC(F)(F)F)cc1F 731364646 VYYXQRUNPLXDFS-UHFFFAOYSA-N 428.430 4.007 10 20 IICD Cc1cc(CC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)c(C)n1-c1ccc(Cl)cc1 732075661 DPXQWFCOIBEFFN-INIZCTEOSA-N 444.004 4.113 10 20 IICD COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CCC(=O)N2C)cc1 734424263 BDBZYDPWHSVVHX-AZGAKELHSA-N 449.595 4.254 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)c(C)s3)cc21 734739901 HNVYTCKXCFVSPH-UHFFFAOYSA-N 447.969 4.482 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)c1 743285811 XPUFVCXGEMNSTL-GIJQJNRQSA-N 426.498 4.211 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 743808647 AXEZGXHXSQZXJT-LLVKDONJSA-N 435.343 4.250 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 743892577 JMTYCIPDUAJPKK-UHFFFAOYSA-N 429.398 4.070 10 20 IICD CCOC(=O)c1cnn(-c2cccc(NC(=O)NCc3ccccc3O)c2)c1C(F)(F)F 748441958 BCMOZJGQRRDAAU-UHFFFAOYSA-N 448.401 4.095 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N(Cc1ccccc1O)C1CCCCC1 752706112 RLTDAVNCMDUTQX-FQEVSTJZSA-N 444.597 4.489 10 20 IICD Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752828201 AYDMYGMZHHMEHG-CTNGQTDRSA-N 449.599 4.393 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2SC)SC1=S 755034836 UYVYUTCMYLKYFU-JYRVWZFOSA-N 446.413 4.325 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)C(C)(C)C)nc3)cc2F)C[C@@H](C)O1 758403707 OEJONTRWYIIHBC-IYBDPMFKSA-N 435.565 4.019 10 20 IICD O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 759588475 LSKMDLQTGKNPHB-IYNHSRRRSA-N 437.879 4.213 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC3CC(c4cccc(Br)c4)C3)cc2)C1 762606916 QTDOBZBVUJARSN-JSOIOWGOSA-N 442.401 4.187 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1OC 764986388 DJJKKZKIWTWPTL-GOSISDBHSA-N 443.563 4.190 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccn3)cc2F)C[C@@H](C)O1 765340314 XCXRRQXXSRQJOF-CHWSQXEVSA-N 426.414 4.175 10 20 IICD C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1Cl 765529888 SSMMQHOUWWIMJC-NTKDMRAZSA-N 442.003 4.061 10 20 IICD C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1 772874340 DIMSYEZMDBSUBT-MJGOQNOKSA-N 435.584 4.055 10 20 IICD Cc1nc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)sc1C(=O)O 779440848 NGSWBJJMGOAGGQ-UHFFFAOYSA-N 448.342 4.250 10 20 IICD Cc1cc(C(=O)CN2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 781344596 POPZNZPBNLPXRN-UHFFFAOYSA-N 449.517 4.486 10 20 IICD CC(C)n1ncc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cnc21 783483431 WPNZDVPEGLKEDP-QGZVFWFLSA-N 442.523 4.327 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccc(N)cc1 783483497 ZBUMSZJLRZSVJT-QGZVFWFLSA-N 443.482 4.327 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc2ccccc12 785193205 SSTJIALVMIQFMN-UHFFFAOYSA-N 427.298 4.295 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 785544437 VDQVNKXTPFRVHU-UHFFFAOYSA-N 438.552 4.084 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)cc2)CC1 786656578 OKYYXKKCEXURPX-PNIUZAESSA-N 445.607 4.020 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1F 788301947 QIICNJAPOXFWPW-UHFFFAOYSA-N 427.929 4.051 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 788462997 JUJUGPDVFMEYLP-MRXNPFEDSA-N 437.565 4.440 10 20 IICD C[C@H](NCc1cnc2n1CCCC2)c1cc(Br)cc(Br)c1O 793566937 VYYIGOLZAYCZIW-JTQLQIEISA-N 429.156 4.301 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCC[S@@](=O)Cc3ccccc3)cc2Cl)C1 799930434 NYYMTIPZFPQCGH-YVGXBJCXSA-N 448.032 4.324 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)c2C)cc1 912065566 DAVSSNRWQXQYKF-FQEVSTJZSA-N 447.583 4.440 10 20 IICD Cc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 915291019 MHQIZFUUJLJRSZ-UHFFFAOYSA-N 433.942 4.457 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 915930712 GUSVPAGRIYGDDA-QFIPXVFZSA-N 434.540 4.086 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(=O)n(C)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 919204766 SREJHXDMUITISI-UHFFFAOYSA-N 433.291 4.139 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1ccc(Br)cc1 1320807647 HZZCBHADZOSKCS-GOSISDBHSA-N 449.389 4.012 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC(F)(F)F)cc1 1795842982 FMCCOCGOSCYKFB-FNLKRUPLSA-N 433.474 4.298 10 20 IICD CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1802024390 ICJSZQYMIHGUHS-PZTJNICRSA-N 434.964 4.219 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@]2(C)CC2(F)F)cc1 1804147253 ICFARABJWNQNGM-UQWVPHONSA-N 441.522 4.391 10 20 IICD Cc1occc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1825909804 WCHWWIHQTGWMPQ-IBGZPJMESA-N 446.931 4.200 10 20 IICD O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(N3CCOCC3)cc2)s1 26222882 ZQJIUPPSCLUAGO-JXAWBTAJSA-N 426.929 4.364 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1F 97554489 LIRUNKCJAXKSAQ-LJQANCHMSA-N 426.536 4.232 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565232 HQWORXUFVYNYLO-UHFFFAOYSA-N 448.558 4.475 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)COCc1ccccc1 726613849 RYBNUJCBIUIYCP-GOSISDBHSA-N 447.526 4.409 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)c1 726625512 IXNKNIDGMTZXLP-JMIUGGIZSA-N 437.546 4.354 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)s1 727243581 AISIKNRMTOWUSC-UHFFFAOYSA-N 444.563 4.487 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 741416301 OTSVYJCARADLLM-UHFFFAOYSA-N 448.502 4.182 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1F 742071637 QJSBDOGUPUTVIQ-UHFFFAOYSA-N 425.460 4.028 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1ccc(Cl)cc1 745310790 NIKLNPNBVFGQOR-UHFFFAOYSA-N 427.726 4.419 10 20 IICD CN1CCCc2cc(CNC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc21 746811481 HUENLQUGRPFNPH-UHFFFAOYSA-N 432.490 4.016 10 20 IICD Cc1cc(CC(=O)NCc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 749149408 PXIWJLDFOLGVIU-UHFFFAOYSA-N 444.984 4.151 10 20 IICD Cc1cc(O)c(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C(C)C 749888995 CZCRFRQNVRZFTH-UHFFFAOYSA-N 443.034 4.436 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)c2C)cc1 753734672 YINFGJGJPKTRBB-UHFFFAOYSA-N 447.535 4.264 10 20 IICD C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 754159020 KDIBIOPUGJWNCZ-IIBYNOLFSA-N 448.489 4.230 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1 754876634 DWBYADLGNRAJDL-VXGBXAGGSA-N 425.298 4.294 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](Cc3ccccc3F)c3ccccc3)cc2)CC1 759998894 JVCCQTGZFUBCQH-VWLOTQADSA-N 438.568 4.134 10 20 IICD O=C(CCc1nnc(C2CCCC2)o1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760571913 CBMAOYUKPTYFNE-MRXNPFEDSA-N 434.487 4.046 10 20 IICD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N(CC)CC)cc2)c1 760818067 NWUZZBSMNKLBMB-SFHVURJKSA-N 446.617 4.072 10 20 IICD COC[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761363768 SUFUJECMZDKTKW-MRXNPFEDSA-N 442.821 4.216 10 20 IICD CC[C@H](c1nc(C(F)(F)F)cs1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761782795 QSRFXIOHAYFGPW-LLVKDONJSA-N 433.839 4.436 10 20 IICD Cc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 764413254 XSJSYDUGCHHCES-UWVJOHFNSA-N 439.518 4.212 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3c[nH]c4cc(Br)ccc34)CC2)cc1 765386995 XTJDMFMIZGJAFN-UHFFFAOYSA-N 442.357 4.267 10 20 IICD CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccc(F)cc2O1 765677811 IRUGQUYEXUTDBC-HXUWFJFHSA-N 429.561 4.481 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1COC1CCOCC1 767892567 IQINWSBMZQRBGN-UHFFFAOYSA-N 449.595 4.167 10 20 IICD Cc1cc(C(=O)CSc2nnc(-c3cnccn3)n2C)c(C)n1-c1ccc2c(c1)CCC2 768407605 SQVDFTGVBFWVNM-UHFFFAOYSA-N 444.564 4.143 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccco3)c3ccccc3OC)CC2)cc1 769096364 SDRFBJQUTMMWFJ-DEOSSOPVSA-N 435.524 4.354 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772597426 FQNZFYHZPSRBLO-BHIFYINESA-N 427.495 4.284 10 20 IICD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773854300 BJIZQWZZJFXYQQ-GOSISDBHSA-N 444.535 4.129 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 774405256 VNIFCSMGRFHJBS-DEOSSOPVSA-N 431.536 4.142 10 20 IICD COc1cc(O)c(CN(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cc1OC 775657865 AJVACHIBKDDOBC-UHFFFAOYSA-N 442.462 4.329 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1ccccc1Br 779074878 VRJKFOMMDOQTKT-UZLBHIALSA-N 445.357 4.067 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1 787419216 WGKUABLZDFKGCW-OCCSQVGLSA-N 429.464 4.319 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3c(F)cccc3F)C3CC3)cc2F)CC1 790304933 KVNUUVLKVZNVIR-UHFFFAOYSA-N 446.517 4.120 10 20 IICD COc1cc(N2CCN(C(=O)C[C@@H]3C[C@@H](C)c4c(C)cccc43)CC2)cc(OC)c1OC 792607817 BVDHLRNKGSRCID-MOPGFXCFSA-N 438.568 4.351 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cnc1Cl 800635890 APXZZILQYOHXPH-CYBMUJFWSA-N 435.355 4.188 10 20 IICD CCCc1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 800637466 ZIBHJXJAMLTMAI-AWEZNQCLSA-N 434.993 4.240 10 20 IICD C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)cc(F)c1O 800994018 PLBVLRMGMDVEEY-YOEHRIQHSA-N 435.337 4.178 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC=C(c2ccco2)C1 804969842 NWQGRFKJNGMRLI-UHFFFAOYSA-N 435.446 4.134 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)cc1F 806282009 FIXNHISJWCVFMH-OAHLLOKOSA-N 429.970 4.048 10 20 IICD CCOC1CC(N(C)Cc2c(O)ccc3ccc(O)c(CN(C)C4CC(OCC)C4)c23)C1 808213114 ZBNPMNUOFNGXSV-UHFFFAOYSA-N 442.600 4.250 10 20 IICD CC[C@@H](NC[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1O 810255987 SIUIOQNAYVTQIT-DYESRHJHSA-N 427.463 4.463 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]nc1-c1ccccc1Cl 857471835 CBYXVQLOKWEZRZ-INIZCTEOSA-N 445.350 4.484 10 20 IICD CC(=O)NCC1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 917119705 DFFXPSPMVQLMOE-UHFFFAOYSA-N 435.490 4.144 10 20 IICD CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918213716 RIULCTNDSLGDPD-IBGZPJMESA-N 425.573 4.243 10 20 IICD CC(C)c1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 920880312 FIMXEZYPJJFCLM-SFHVURJKSA-N 436.531 4.462 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1248704186 XSEHCERSGPAIOA-XMMPIXPASA-N 429.568 4.408 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1ccc(N2CCCC2)cc1 1318522162 WTUNIZQKQSLAOS-UHFFFAOYSA-N 446.595 4.331 10 20 IICD O=C(CCc1nc2ccccc2s1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1319299676 FTNIFRVGCMTHAH-KRWDZBQOSA-N 429.973 4.369 10 20 IICD Cc1nocc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1787461798 MLYDZYULWPVKQG-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2)CC1 1829876261 LSNBNGUERWDKLU-HXUWFJFHSA-N 442.943 4.298 10 20 IICD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)c1ccc(Cl)cc1 1845500575 QEAJEFWNSWQXIJ-ZDUSSCGKSA-N 449.334 4.025 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 444002928 LQIDCJHVMKPGCG-HXUWFJFHSA-N 443.547 4.184 10 20 IICD CCn1nccc1C1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 469295136 FDWNQABZLYXOSI-UHFFFAOYSA-N 433.600 4.030 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1 725779324 XVPDISPSJIKGOS-UHFFFAOYSA-N 440.559 4.021 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 728978972 AOGLDMLIFIMDKO-ZDUSSCGKSA-N 438.484 4.340 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnc(C3CC3)s2)c(C)n1-c1ccc2c(c1)OCCO2 729771346 KCIKZYXKMIHSNO-UHFFFAOYSA-N 438.505 4.239 10 20 IICD CCOc1ccc(OCC)c(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1 730133826 HIGUKDURROVLAD-UHFFFAOYSA-N 444.551 4.087 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1F 731346076 QXUKEXUTZWOAEZ-UHFFFAOYSA-N 426.511 4.472 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1F 731347197 PXXMPYFSHVNKDI-UHFFFAOYSA-N 435.499 4.284 10 20 IICD CN(CC(=O)N[C@H](c1ccccc1)c1nccs1)Cc1ccc(N2CCCCC2)cc1 738298976 KMMYIKOTUCBPEP-XMMPIXPASA-N 434.609 4.471 10 20 IICD C[C@H](OC(=O)[C@H](C)c1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 738829867 SLKOMZLXKUDMQQ-KGLIPLIRSA-N 433.485 4.197 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)CC1 739767429 BZZFEYSHDPPYAV-UHFFFAOYSA-N 436.737 4.057 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 740813251 ZVKFJSFJCPZBFD-UHFFFAOYSA-N 437.370 4.336 10 20 IICD Cc1cc(C(=O)CN2CCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 740942322 BRAVBLGSXMUBCX-NRFANRHFSA-N 449.517 4.092 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c1 741096200 TXBVQCBMGUGZLI-OAHLLOKOSA-N 428.554 4.393 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)CC(=O)c3ccccc3F)cc2F)C[C@@H](C)O1 742557974 YFJJRBFKZZVCSD-ZACQAIPSSA-N 430.495 4.104 10 20 IICD Cc1cc(C(=O)COC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c(C)n1-c1ccccc1 745494303 RRTFQMGNUFJGLM-UHFFFAOYSA-N 430.504 4.411 10 20 IICD CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCCN(c2ccc(OC)cc2)CC1 745983059 CNESVROXYXETJD-UHFFFAOYSA-N 435.524 4.239 10 20 IICD Cc1cnc([C@H](C)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 750086756 NCQBFQYQBUJWCG-IGVUGNCQSA-N 437.637 4.372 10 20 IICD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1Cc1ccccc1 751098367 GINKTXJOZVGFOY-FGCOXFRFSA-N 437.584 4.136 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CC(=O)N(CCc4ccccc4)C3)ccc21 751184619 BPSYJABRJUMRET-QFIPXVFZSA-N 448.563 4.153 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 752889306 HCAXBORDCLNSOD-MOPGFXCFSA-N 427.511 4.063 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](c3ccccc3)c3ccc(F)cn3)CC2)cc1 753612751 TXSLQBWJYCMZSX-AREMUKBSSA-N 434.559 4.121 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccccc1C(=O)NC1CCCC1 756327866 SRTVURLJVFVRNZ-UHFFFAOYSA-N 447.535 4.299 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 756864272 VHNBKPGJPBONNG-OLZOCXBDSA-N 429.355 4.053 10 20 IICD CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc21 760304149 IAFRITHCSFVIEK-UHFFFAOYSA-N 433.942 4.494 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2C[S@](C)=O)cc1 762922225 ZWTWDGVNVOBYKC-PMERELPUSA-N 425.554 4.458 10 20 IICD COc1ccc(N2CCC(NC(=O)N(CCCO)[C@H]3CCCc4ccccc43)CC2)cc1 763075979 ICLUCCFPMYXLLU-VWLOTQADSA-N 437.584 4.136 10 20 IICD C[C@H]1CCCCN1CCC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 764357389 VKBHQYWCHJSZLA-FCHUYYIVSA-N 442.648 4.270 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 765383498 ZAZIRJOBTXWADZ-HXUWFJFHSA-N 427.614 4.312 10 20 IICD COc1ccccc1OCc1ccc(C(=O)NCc2cccc(Br)c2O)o1 765766045 VCROHBBFEXLIPV-UHFFFAOYSA-N 432.270 4.265 10 20 IICD O=C(Nc1ccc(Br)nc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766170285 WFDFUGBTTBUVIN-ZDUSSCGKSA-N 441.276 4.236 10 20 IICD C[C@H](NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 766599557 JVECWCQZLWZWJT-NJYVYQBISA-N 425.592 4.470 10 20 IICD O=C(Cc1c[nH]c2cc(Br)ccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 767977120 UMSOWCZLZBSDMR-GOSISDBHSA-N 443.341 4.386 10 20 IICD Cc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1NC(=O)C(C)(C)C 772010574 GVKADGFSMIBOHE-UHFFFAOYSA-N 429.904 4.307 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1SCc1cn2ccccc2n1 773740013 IROKCEJEYLQPCO-INIZCTEOSA-N 433.533 4.399 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](C[C@H]2CCOC2)C1 774193578 SVQUAHDUECRNIC-QZTJIDSGSA-N 437.531 4.105 10 20 IICD C[C@@H](NCCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1Cl 775577985 RQQFIDCUANFPHK-OAHLLOKOSA-N 443.897 4.406 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc2ccccc2o1 781825481 DGYSWABZQJSFPT-LBPRGKRZSA-N 442.383 4.429 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1 788974792 HLNXYRZLKJMJOO-KRWDZBQOSA-N 437.540 4.090 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2ccc(Br)cc2C1 790675463 ZVGBKTBCUCVUDR-UHFFFAOYSA-N 446.414 4.270 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(F)c(N4C(=O)CNC4=O)c3)c2C)c1 794295417 IVLKEMQMPTXZMT-UHFFFAOYSA-N 434.471 4.159 10 20 IICD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 802558166 LMEPDWIETRPPLP-UHFFFAOYSA-N 433.483 4.035 10 20 IICD CC(C)c1ccc(O[C@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 806005803 HTHZGOWTPBADMI-HXUWFJFHSA-N 425.573 4.256 10 20 IICD C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 806494692 UYFDSDPBJCNKMU-CUNXSJBXSA-N 448.611 4.042 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(OCC(F)(F)F)c1 857471776 ABYPABMNKYXMOL-QGZVFWFLSA-N 442.865 4.381 10 20 IICD O=C1C[C@H](c2ccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)NC(=O)N1 864044853 MSIOYJCIZZNAJO-HSZRJFAPSA-N 426.520 4.132 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c(C)c1 916111036 UIUXJFKYDKQCSW-UHFFFAOYSA-N 448.482 4.353 10 20 IICD CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCc2ccccc21 916631874 LJZYUJYXXAJXIU-NRFANRHFSA-N 433.474 4.371 10 20 IICD Cc1nc2ccnn2c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 917095941 VLIJAVOVIBVMFN-UHFFFAOYSA-N 431.540 4.167 10 20 IICD O=C(Nc1nncs1)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 917412082 WHZABVLOLBBPMN-UHFFFAOYSA-N 447.358 4.010 10 20 IICD Cc1ccc(-n2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2C)cc1 917645273 HRZKWHOTZFRECO-UHFFFAOYSA-N 429.524 4.386 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1-c1nccs1 918141360 VRLGNFOSLFCIKE-HOTGVXAUSA-N 442.560 4.233 10 20 IICD COC(=O)CC1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 918747967 USLYUULJPJEJHE-NRFANRHFSA-N 434.496 4.009 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 919687086 SNEVHNSAPLDPHS-DTSIOAQHSA-N 425.960 4.117 10 20 IICD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCCC4)c3)cc2)C1 919823655 UVNDMAPGVPAHCY-LJQANCHMSA-N 441.597 4.350 10 20 IICD Cc1ccc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1Cl 1253730389 CRZQXOAYMLUHLW-UHFFFAOYSA-N 426.319 4.006 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2noc3ccccc23)c1 1317923618 HSTGBYXIDHWJJD-UHFFFAOYSA-N 443.912 4.149 10 20 IICD CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1800715454 MMFWPSXWZHYTFB-RDGPPVDQSA-N 442.943 4.197 10 20 IICD Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)c1 26763783 NLRUXLKIPWLANM-JCMHNJIXSA-N 444.560 4.209 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 302993582 WUGSHNNTFCYGDW-UHFFFAOYSA-N 447.539 4.137 10 20 IICD CCOCc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 726603928 BYSYWJBOWNTWMQ-MRXNPFEDSA-N 428.488 4.438 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)COCc1ccccc1F 726856387 IXWCTNXAPQSZAI-GOSISDBHSA-N 444.528 4.150 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1F 727491234 KYJUMQYIKZUZGU-YBFXNURJSA-N 448.516 4.216 10 20 IICD CC(C)Cc1noc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n1 731798749 FZONMZGGDHKNAT-MDWZMJQESA-N 438.372 4.432 10 20 IICD O=C(CCN(Cc1ccco1)Cc1ccccc1O)Nc1ccc(N2CCCC2=O)cc1 732201923 ALMKCFQOTLXFRM-UHFFFAOYSA-N 433.508 4.143 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 734315921 FLXAVIZPMJRYLC-ZCYQVOJMSA-N 437.584 4.110 10 20 IICD Cc1cc(C(=O)COC(=O)CCCn2ccccc2=O)c(C)n1-c1ccc(F)c(Cl)c1 735146328 WXUFGLPNZUNTMS-UHFFFAOYSA-N 444.890 4.255 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)COC1CCOCC1 735250436 IFAPQCBCIWSBJP-FQEVSTJZSA-N 436.474 4.494 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccccc2Br)cc1)C1CCCCC1 743421985 VSNIETKAFXFAPF-UHFFFAOYSA-N 444.373 4.473 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)CC2)cc1 745801088 VRFSDMFRBKZXDZ-LJQANCHMSA-N 425.598 4.488 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1F 746975325 CFEFAEARZOGCGA-HXUWFJFHSA-N 448.583 4.213 10 20 IICD COc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCc2ccccc2O)cc1 748486174 NFPKMUUCFNJBSZ-UHFFFAOYSA-N 426.856 4.101 10 20 IICD CN(c1ccc(CNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)cc1)C1CCCCC1 749942308 WWADKCQNFJMGMZ-UHFFFAOYSA-N 446.551 4.157 10 20 IICD Cc1cc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Br 751378081 FGZXLXBWKVRBFR-UHFFFAOYSA-N 445.401 4.215 10 20 IICD CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H](c1ccc(C)cc1)n1cncn1 756160205 WZRQYDCGONAUEE-VWNXMTODSA-N 428.540 4.187 10 20 IICD C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O 756509838 FNZFAHRYULQPRU-LIRRHRJNSA-N 435.337 4.178 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 757831601 XFPKHIAEOWPEHI-UHFFFAOYSA-N 442.519 4.082 10 20 IICD COC(=O)COc1ccc(NC(=O)NCCCSc2nccs2)c2ccccc12 758651436 NDZUTXGIQAACAS-UHFFFAOYSA-N 431.539 4.152 10 20 IICD COc1cccc(C2(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)c1 758743424 ZXWMOIXZARCOAD-UHFFFAOYSA-N 431.483 4.254 10 20 IICD CSCc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 759356509 CXZWHGVQPTWBGI-UHFFFAOYSA-N 432.457 4.486 10 20 IICD CCC(CC)c1noc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1 762034438 FSOINTQSTRGAHS-UHFFFAOYSA-N 432.458 4.055 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CC(=O)N(C)Cc3ccccc3Cl)CC2)cc1 765639068 RBWZBDXJQIBJGW-SFHVURJKSA-N 429.992 4.344 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1c1cccs1 769615983 SKZYXSPOBYIHML-HNNXBMFYSA-N 434.564 4.293 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])cc1 771055156 BGMMPYXKGWAUAD-SFHVURJKSA-N 431.920 4.012 10 20 IICD O=C(CSc1nc2ccccc2o1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771058152 LUYNPJFEWGPLBB-INIZCTEOSA-N 431.945 4.060 10 20 IICD C[C@H](NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 772959757 NLVQBUARQXPFGC-UUOWRZLLSA-N 447.982 4.040 10 20 IICD C[C@H](NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)c(F)c1 773017520 SAMGRCOBQKXTCA-ZDUSSCGKSA-N 447.860 4.459 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c1 775370736 PVGGFNXJGNBFOK-VGOFRKELSA-N 433.508 4.331 10 20 IICD C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)c1ccc(N(C)C)cc1 775402464 BTPOTCVRBHMBHJ-GFCCVEGCSA-N 425.407 4.060 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1nnnn1C1CCCC1 777822630 JGMLBCYRJJBQRB-KRWDZBQOSA-N 437.569 4.376 10 20 IICD CCOC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 779673079 JELJMNCRUBSXOC-GOSISDBHSA-N 431.577 4.494 10 20 IICD CCn1c(=O)c2ccccc2n2c(CN(Cc3cccs3)c3ccc(OC)cc3)nnc12 782969345 OKDSMWDSTSXFRV-UHFFFAOYSA-N 445.548 4.341 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-c2nnco2)c1)c1ccc(N)cc1 783486567 OILFPBYYFOCBRO-MRXNPFEDSA-N 427.464 4.052 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783486828 RGLVHBNCLZBXRY-IBGZPJMESA-N 439.519 4.496 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CSc3ccc(C(C)(C)C)cc3)cc2)CC1 786257924 WSJKKCPPUULOMU-UHFFFAOYSA-N 439.625 4.061 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(-c4ccccc4F)o3)cc2)CC1 786258932 IQXNDVNQYUSMFL-UHFFFAOYSA-N 449.526 4.003 10 20 IICD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc(N4CCCCC4)cc3)cc2)C1=O 790609814 LTMGILJUPVSVKT-AREMUKBSSA-N 432.568 4.192 10 20 IICD CSc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 792703317 UAPJERZVSDUKIO-UHFFFAOYSA-N 432.498 4.306 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)CC2)cc1 798169027 PMILDVYEBHQWTJ-UHFFFAOYSA-N 428.439 4.082 10 20 IICD Cc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)NC(N)=O 800048818 IOSGKFGNPNZBIC-IIBYNOLFSA-N 442.991 4.301 10 20 IICD CCCCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1O 801596357 WKZSLMRMFBSHJA-OAQYLSRUSA-N 426.557 4.375 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1 916502934 CLTFMLYQIWLZQW-UHFFFAOYSA-N 440.544 4.240 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1OC 918207826 JSWIVWZUKQIXNH-LLGFUMIMSA-N 429.536 4.398 10 20 IICD Cc1cccc2sc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)c(Cl)c12 918340969 ZGWKMBGLYRHQPO-UHFFFAOYSA-N 448.997 4.028 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2C)cc1 918674957 KKKSFUTUKCDYCC-UHFFFAOYSA-N 427.545 4.186 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)s1 918746877 ZIHKPJVOCYNPPQ-SNVBAGLBSA-N 425.557 4.079 10 20 IICD C[C@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 920920636 KGQDAOHHASCEHU-FQEVSTJZSA-N 446.551 4.058 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(C)(=O)=O)c(Cl)c3)c2C)cc1 1318280422 IECQELNKBQLDKH-UHFFFAOYSA-N 432.929 4.412 10 20 IICD Cc1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(C)n1-c1ccc(F)cc1 72025209 FEMIYXCUBNOCAH-UHFFFAOYSA-N 425.529 4.329 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(c3ccncc3)CCCC2)C1 444310235 HKSYLMWOCNSHFN-UHFFFAOYSA-N 430.596 4.431 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 475945675 MSBXYVDMLVOCHC-LJQANCHMSA-N 448.350 4.090 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 542923534 KFQIGLQQRMFNCH-QGZVFWFLSA-N 431.920 4.395 10 20 IICD CN(Cc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1)C(=O)C(F)(F)F 726460155 YRAGZNBTAOIAKJ-UHFFFAOYSA-N 438.519 4.020 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCCOc2ccccc21 726615496 BNBMFWMWOXEJOU-FQEVSTJZSA-N 431.483 4.470 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 726707134 NXWNETVUDMLPQR-UHFFFAOYSA-N 444.963 4.036 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccccc3OC(F)(F)F)CC2)cc1 726715350 OHXRSJDWFSTNPO-UHFFFAOYSA-N 437.462 4.404 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)cc2C)nc1-c1ccccc1 727245089 BJFKLJZOPPKEMB-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)c3ccc(OC)c(OC)c3)ccc21 728639166 NVGWMDUKUCPHHG-QGZVFWFLSA-N 439.508 4.350 10 20 IICD COC(=O)CCSCc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 729041843 OJFMYWWCWACQCH-UHFFFAOYSA-N 427.570 4.187 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCn4cccc4[C@H]3c3ccccc3)CC2)cc1 729610946 KYUMEJTYAJKMOI-RUZDIDTESA-N 430.552 4.280 10 20 IICD COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 730915857 PJAZVLVPCSOWPD-UHFFFAOYSA-N 437.544 4.046 10 20 IICD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Br)s2)cs1 731079349 VXTJBTRRBNMPCQ-UHFFFAOYSA-N 446.329 4.343 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c(F)cc1F 732526002 SUXKLLIFQSMHJS-UHFFFAOYSA-N 430.479 4.046 10 20 IICD C[C@@H](NC(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 733847777 HWQVTVJEOYAOQG-CJFMBICVSA-N 437.584 4.368 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)c2)CC1 739598829 LMQMVAXULZSKJR-UHFFFAOYSA-N 429.586 4.204 10 20 IICD COc1cccc(-c2noc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)n2)c1 742393695 RXXQWWGSYAMVRQ-UHFFFAOYSA-N 434.418 4.213 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 743100474 ACEGXDQTJWREGT-UHFFFAOYSA-N 449.473 4.448 10 20 IICD CCOc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC 743106181 AGHOLPCDPIUEMN-INIZCTEOSA-N 435.471 4.486 10 20 IICD O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2 743282082 IYEODGKBYGTQNS-FWKIOYGQSA-N 425.478 4.407 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1)C1CCCCC1 743421526 KMGKINACHRRJNN-UHFFFAOYSA-N 444.373 4.473 10 20 IICD COCCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 744417690 WPFNTYBHMGQJCR-GOSISDBHSA-N 438.490 4.281 10 20 IICD COC(=O)c1cc2c(/C=C3\SC(=S)N(c4cccnc4)C3=O)ccc(OC)c2o1 748994267 LGEFVLNMZASEIP-PXNMLYILSA-N 426.475 4.029 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)cc1 750034905 BIOKMOMOQDJRLF-AWEZNQCLSA-N 438.977 4.130 10 20 IICD C[C@@H](NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(N2CCOCC2)cc1 752917128 ODAJPXIVGZSKJC-QGZVFWFLSA-N 447.501 4.487 10 20 IICD O=S(=O)(CCNCc1ccc(OCc2ccccc2)cc1O)c1ccc(Cl)cc1 753550366 DAPGICUVPYNOAI-UHFFFAOYSA-N 431.941 4.188 10 20 IICD Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753645818 YJEYOHFPEYDUFM-GFCCVEGCSA-N 432.929 4.456 10 20 IICD C[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cc(Cl)c1O 756765744 QXAXXCSJBZGZKP-IGNZVWTISA-N 431.802 4.227 10 20 IICD CCn1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(=O)c2cc(Cl)ccc21 757890499 QNMRBQHANRABKX-MRXNPFEDSA-N 439.943 4.002 10 20 IICD CCS(=O)(=O)c1ccc2oc(/C(Cl)=C/c3ccc(N4CCOCC4)cc3)nc2c1 764437772 JEDIBBWRRFIMGO-AQTBWJFISA-N 432.929 4.195 10 20 IICD Cc1c([C@H](C)NCc2ccc(N(C)C)c(F)c2)nnn1-c1cccc(Br)c1 765476211 QITVGNKEKGJMLT-ZDUSSCGKSA-N 432.341 4.394 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 769281419 AXXYMFSYRGWOOO-UHFFFAOYSA-N 427.547 4.219 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)c(Br)c(F)c1 775378891 OHCZODAXGAOOTM-UHFFFAOYSA-N 440.288 4.228 10 20 IICD COc1ccc(OC)c(-c2csc(NC(=O)CN[C@H](C)c3ccc(N(C)C)cc3)n2)c1 775833913 HJENFPKJFITLCM-OAHLLOKOSA-N 440.569 4.183 10 20 IICD CCOC(=O)c1cnc(C)c(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 779088608 VVPZLGFXQWSCJE-UHFFFAOYSA-N 436.512 4.460 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 780810035 JTTYLFJDHJJGAK-UHFFFAOYSA-N 447.501 4.415 10 20 IICD Fc1cc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1N1CCN(c2ncccn2)CC1 782523414 VIETUZWXODHYDF-ZWKOTPCHSA-N 437.485 4.153 10 20 IICD CCOc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1OC 782895856 GLNRVYCEHNPSPV-UHFFFAOYSA-N 426.513 4.100 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1-c1nc(CC)no1 784024433 OOXQRFCRSGNOIC-UHFFFAOYSA-N 442.903 4.035 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1SCC(F)(F)F 784030445 PJXVSMDTDGFJMD-UHFFFAOYSA-N 426.460 4.424 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(OC)c1 785543042 HXATVHGQBQDCRA-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(OCCOC(C)C)c1 789748860 YURIQIGERJMWJG-UHFFFAOYSA-N 426.557 4.419 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1 796506204 VNIGYPHVJSOZDC-NRFANRHFSA-N 446.613 4.209 10 20 IICD O=C(NCc1ccncc1OCC(F)(F)F)N(Cc1ccco1)Cc1ccccc1O 798523560 LZRJIAHBAXTKDC-UHFFFAOYSA-N 435.402 4.233 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 807512535 YEWLGMFEIHATII-KWBADKCTSA-N 440.352 4.314 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)c1c(F)cccc1F 857472317 KEMAYKFFEPVBHI-CQSZACIVSA-N 430.829 4.196 10 20 IICD COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1 913077427 BXINDEWRMWEPAM-UHFFFAOYSA-N 434.564 4.428 10 20 IICD CCC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 914674477 MEXSSSPDNWKROA-LBPRGKRZSA-N 425.312 4.042 10 20 IICD O=C(CCOc1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 917365119 VJDFLYUKJNHYLM-IBGZPJMESA-N 434.330 4.131 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(-n2cccc2)c1 917380686 LMAYYYHXYOFHQF-UHFFFAOYSA-N 429.442 4.263 10 20 IICD CC(C)CCOC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918220546 KXAOVSLOZAWRDO-KDURUIRLSA-N 435.584 4.176 10 20 IICD CCOc1ccc(C2(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)CCOCC2)cc1 919923074 JMQMPMQPEWEWJI-UHFFFAOYSA-N 425.573 4.041 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 1321765204 YBKQWZOVARVNOA-UHFFFAOYSA-N 437.927 4.051 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1324121009 MHWVOYZTORRUGK-HNNXBMFYSA-N 428.492 4.070 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](C)Cc3ccco3)C2)cc1 1846642009 QXDWPOGLMKVHOD-LJQANCHMSA-N 445.563 4.383 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)ccc1OCC(N)=O 71962967 NABJVIJOELDLAX-UHFFFAOYSA-N 449.551 4.020 10 20 IICD Cc1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)c(C)n1-c1cccc(Br)c1 71996566 NJPCHSUPRIGNJC-AWEZNQCLSA-N 438.329 4.390 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)cc1 108427603 ZYORZNDNMOJTJE-UHFFFAOYSA-N 429.520 4.300 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1Nc1ccccc1F 303670733 GGDDLJRGJJUXLZ-UHFFFAOYSA-N 434.515 4.103 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 303830568 LLQGUVKZGDVAOL-UHFFFAOYSA-N 429.586 4.348 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCn4c(C5CCCC5)nnc4[C@@H]3C)ccc21 566639776 MNGDBNUCFBXSKK-SFHVURJKSA-N 435.572 4.371 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 583597479 NXADACCEMFRPMD-UHFFFAOYSA-N 435.471 4.436 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1-n1nnnc1C 726547368 FBRAHODWKDBXCF-UHFFFAOYSA-N 436.903 4.293 10 20 IICD COCCn1c(C)cc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c1C 726625250 DYURSBZBPFRWSY-ODLFYWEKSA-N 432.567 4.174 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)cc2)C1 729948371 ZNRJGKAWLMPQJN-FQEVSTJZSA-N 449.501 4.264 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1F 731398146 AOPFBSWPDQGZNS-OAQYLSRUSA-N 428.508 4.111 10 20 IICD CCN(CC)c1ccc(CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1F 733153224 LSHKLMRZKHQFIB-XQNSMLJCSA-N 446.526 4.154 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)SC2=S)cn1 733370150 WRLUJIBHFPKWHG-VIZOYTHASA-N 443.535 4.341 10 20 IICD COCCCOc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 735328758 FEYODHJEVLFSSY-YBFXNURJSA-N 429.519 4.236 10 20 IICD Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1Oc1ccncc1 739768998 ZLCVGMHVMHDWKT-UHFFFAOYSA-N 430.508 4.136 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CC2)cc1 739952738 DBIAXNWIPHDGQY-UHFFFAOYSA-N 448.894 4.315 10 20 IICD O=C(Nc1ccc(-n2cccn2)c(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743108815 MUTTZNXBYVAEIU-MRXNPFEDSA-N 445.445 4.403 10 20 IICD CCOc1ccc(OC)cc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743149060 ULLBHTWNTDTXDR-OAHLLOKOSA-N 435.471 4.486 10 20 IICD C[C@H](NC(=O)Nc1c(F)cc(Br)cc1F)c1ccc(N2CCOCC2)cc1 743214302 GYLUEYMRLREDIQ-LBPRGKRZSA-N 440.288 4.447 10 20 IICD CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)NCc2cccc(OC)c2O)cc1 745831727 UMOHHTJTNQVECW-LEWJYISDSA-N 428.529 4.379 10 20 IICD Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746729000 DFEKNESFSWESGY-MRXNPFEDSA-N 434.462 4.037 10 20 IICD Cc1cc(C(=O)COC(=O)c2csc(C3CC3)n2)c(C)n1-c1ccc2c(c1)OCCO2 747505012 KRJQCRJQYSZJNX-UHFFFAOYSA-N 438.505 4.239 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)OC(C)(C)C 747741075 MSDOTIDTGPZGSB-UHFFFAOYSA-N 425.529 4.142 10 20 IICD Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c(C)n1-c1ccc(F)cc1 749274274 HNHFZDSZZOJZIK-XMMPIXPASA-N 433.527 4.197 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O 750617328 VGKPJEQJKVMUCW-LJQANCHMSA-N 443.547 4.486 10 20 IICD Cc1cc(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 751245180 COQYHVBYNFZLAW-KRWDZBQOSA-N 431.374 4.404 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752839267 PHQZEJZGXSVQFI-IBGZPJMESA-N 448.596 4.482 10 20 IICD Cc1nsc(C)c1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 752878157 RJTWDEBWUBYFIJ-UHFFFAOYSA-N 434.524 4.045 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Oc1ccc(Br)cc1 753636557 NMJMPJUXFIVABH-ZDUSSCGKSA-N 443.297 4.409 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c1 756735714 HCTLPZNEGAGIGG-PIGZYNQJSA-N 425.312 4.172 10 20 IICD C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)c1ccc(N2CCOCC2)cc1 757877799 QMVOPLKCWPMNAM-GFCCVEGCSA-N 425.273 4.055 10 20 IICD CC[C@H](C)n1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C1CC1 762985747 VIQUMUZITPKHCO-HNNXBMFYSA-N 429.540 4.153 10 20 IICD C[C@H](N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764816077 SRDCLCRSQUVOOE-AOMKIAJQSA-N 428.939 4.489 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc(C3CCC3)cs1)c2[N+](=O)[O-] 767104269 SOONFJSPCUGTLA-UHFFFAOYSA-N 433.445 4.347 10 20 IICD CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 769926739 ROGNIPVFOXODAI-JOCHJYFZSA-N 434.939 4.160 10 20 IICD O=[N+]([O-])c1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1 776173804 NBUGRAFFSQLIIQ-UHFFFAOYSA-N 430.096 4.158 10 20 IICD Cc1cc(NS(=O)(=O)c2cc(Br)c(Cl)c(C(=O)O)c2)c(C)c(C)c1O 777650255 GAYQMXKNODNFHA-UHFFFAOYSA-N 448.722 4.232 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 777965374 ZKFIEEMYZLYYKD-UHFFFAOYSA-N 425.554 4.075 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC[C@H]2c2ncc[nH]2)sc(C)c1-c1ccccc1 778224779 FIQGEIZVMOFNNA-KRWDZBQOSA-N 438.553 4.399 10 20 IICD C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)cc(Cl)c1O 779190650 BWEDXFBBLDCTFU-CYBMUJFWSA-N 429.369 4.432 10 20 IICD COc1cc(N(C)Cc2cnn(-c3ccc(Br)cc3)c2)cc(OC)c1OC 780776003 ZVJFGOPDSASGOC-UHFFFAOYSA-N 432.318 4.297 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1 790501321 LHKQGUJJFJDTAL-CYBMUJFWSA-N 447.329 4.350 10 20 IICD COc1ccccc1-c1nc(C2CCN(Cc3cc(Cl)cc(OC)c3O)CC2)no1 792185291 JPHTZSXSSRIPIT-UHFFFAOYSA-N 429.904 4.492 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)cc1 793574980 LLRHUNOUQHFQOK-VXGBXAGGSA-N 430.339 4.499 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 797610547 DAOWWKHFCICWDZ-INIZCTEOSA-N 435.528 4.226 10 20 IICD Cc1cnn(-c2c(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)c(C)nn2C)c1 800048559 FCHCMNVKVXQPCC-OAHLLOKOSA-N 440.979 4.042 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800719875 ORVPENAIZPTWAI-BTYIYWSLSA-N 445.995 4.199 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc1 802297941 HBZYPLWUAJHQPQ-WOJBJXKFSA-N 437.588 4.365 10 20 IICD CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 802300364 FOKVGJHKDLKQHI-FYYLOGMGSA-N 426.532 4.058 10 20 IICD COC(=O)c1ccc(CNCc2cc(C)cc(Br)c2O)c(Br)c1 809753576 LMQMGRGUJWXSOX-UHFFFAOYSA-N 443.135 4.302 10 20 IICD O=S(=O)(Cc1ccccc1)Nc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 813792018 OKGGPQOCZFRXKV-UHFFFAOYSA-N 437.565 4.077 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cc1 814283262 CXGDSNKIWZMZLM-HADWXUJASA-N 441.574 4.471 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3csc(Br)c3)cc2F)C[C@@H](C)O1 917711551 HEGBLYBYTYMXHE-VXGBXAGGSA-N 427.339 4.193 10 20 IICD CC1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CC1 918294248 NZCQTPUTCLLBGN-UHFFFAOYSA-N 447.535 4.389 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1cc(Cl)ccc1I 1117507095 AXDOXNHSKCYOHV-UHFFFAOYSA-N 434.020 4.387 10 20 IICD CO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1822454867 PSYGRFXWGPKRTM-AVRDEDQJSA-N 449.555 4.158 10 20 IICD CC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 16553324 NGACVRXVPXEGAI-UHFFFAOYSA-N 430.485 4.151 10 20 IICD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 97576303 PVTJLEYKVOURMN-HXUWFJFHSA-N 426.900 4.451 10 20 IICD COc1ccc(N2CCN(CCCNCc3csc(-c4ccsc4)n3)CC2)cc1 237275868 PDSDRFVJJMLEAZ-UHFFFAOYSA-N 428.627 4.182 10 20 IICD Cc1c(CNC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)n(C)c2ccccc12 471773021 QXHXKNMXHSCLIO-UHFFFAOYSA-N 427.508 4.133 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 475945553 HJUYUAAQYKPZLC-IBGZPJMESA-N 448.350 4.090 10 20 IICD COc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1OC(F)F 726565081 ZLNSXVGTCDCVLW-UHFFFAOYSA-N 442.409 4.297 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2)cc1 726715728 YWTSMMZKWJGYNJ-QFIPXVFZSA-N 439.556 4.228 10 20 IICD COc1cccc(N2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)C2)c1 728219153 PSSNPQNBODFBQA-NRFANRHFSA-N 448.567 4.345 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)c1 728983946 HZUZVZSLCHCQMS-CHWSQXEVSA-N 441.553 4.046 10 20 IICD Cc1cc(C(=O)COC(=O)CC2CCOCC2)c(C)n1-c1cccc(Br)c1 735354697 JYYYGOGPERTCDI-UHFFFAOYSA-N 434.330 4.399 10 20 IICD Cc1ccc(Nc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2)nn1 736073176 BWLKIAGTURYPIH-DEOSSOPVSA-N 445.567 4.416 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)C2CC2)cc1 741095617 ONBKUPFFCGVDPI-UHFFFAOYSA-N 434.584 4.263 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(CSC4CCCC4)c3)ccc21 741096242 VQJOUOUWWUPETF-UHFFFAOYSA-N 437.609 4.500 10 20 IICD CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 742799569 LTGPYCXTIBKUIT-ZIAGYGMSSA-N 425.501 4.241 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(CCCc2ccccc2)oc1=S 743350311 YQIRSFGEIUVCHB-UHFFFAOYSA-N 438.597 4.307 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 743809000 JZIOSGISBOKREJ-UHFFFAOYSA-N 431.330 4.094 10 20 IICD CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N(CC)CC)c(F)c3)ccc2NC1=O 745933161 UFZSEDFUBSNMDU-YCRPNKLZSA-N 442.535 4.342 10 20 IICD CC(C)CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 746945884 FWLQZIYOMSKZLE-UHFFFAOYSA-N 431.527 4.212 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 748848814 JPJOSRWDADOGQA-WQRHYEAKSA-N 430.507 4.404 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)cc1 754184580 LKSNNOWHDVPYSM-UHFFFAOYSA-N 447.539 4.021 10 20 IICD CCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1-c1ccccc1 756659047 PRQCZPCWVUYQMW-ROUUACIJSA-N 436.531 4.253 10 20 IICD CN(C(=O)c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1)c1ccccc1 756939097 QNXBMZNAAJNMIB-UHFFFAOYSA-N 445.588 4.446 10 20 IICD CCOc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)c1O 762623596 QGOCPRCFTLQAQG-MRXNPFEDSA-N 439.339 4.198 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 764894123 DQDBHFANBRROPO-UHFFFAOYSA-N 435.425 4.154 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cc(F)c(N2CCCC2)c(F)c1 765254405 ZGVCLGIKWKZLJH-UHFFFAOYSA-N 426.261 4.355 10 20 IICD C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 769424100 QZUXVMLXPCDVTC-MJGOQNOKSA-N 432.565 4.320 10 20 IICD COc1ccc(I)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 775581076 FWSOOEYMVXTREO-GFCCVEGCSA-N 439.297 4.249 10 20 IICD Fc1cc(CNc2cncc(-c3ccccc3)n2)ccc1N1CCN(c2ncccn2)CC1 776807031 VTQGXZBXIMXRAH-UHFFFAOYSA-N 441.514 4.011 10 20 IICD C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 777302444 PRERUSWIQOWJBV-ZKHIDJGUSA-N 445.629 4.407 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(O)(c4c(F)cccc4F)CC3)ccc21 779245766 TVRXXLAZUFWYIG-UHFFFAOYSA-N 442.506 4.307 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCc3ncsc3C2)sc(C)c1-c1ccccc1 782634402 RCPDPCZHWOAOIC-UHFFFAOYSA-N 441.578 4.354 10 20 IICD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896971 RVPWMQDMJPBPKY-UHFFFAOYSA-N 449.551 4.349 10 20 IICD CCOC(=O)c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1Cl 784107282 CSIKCVVBTWAPLS-UHFFFAOYSA-N 443.931 4.261 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Br)cc1OC(F)(F)F 789456553 PDZPOHWEOZAYRS-UHFFFAOYSA-N 435.196 4.123 10 20 IICD CC[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc(Br)ccc1O 794826619 DCHZEMLHUSTAPE-HOCLYGCPSA-N 442.151 4.185 10 20 IICD CC[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1O 796774726 HFFGOQKBSVBLQW-SFHVURJKSA-N 426.579 4.051 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(O[C@H]4CCOC4)CC3)cc2Cl)C1 799995159 YXAPUFVFBSXGKO-XLIONFOSSA-N 435.996 4.056 10 20 IICD COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 800047043 GGYSXMZWSCYXMC-UHFFFAOYSA-N 431.897 4.389 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](c2ccco2)C1 802363877 KIESHRGPWPGVBQ-HSZRJFAPSA-N 447.539 4.170 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OC)CC1 802624802 GHBKACCRXGLAIM-UHFFFAOYSA-N 437.588 4.394 10 20 IICD CCc1cnccc1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807955017 KVEJHOLATZWNKO-SJORKVTESA-N 442.991 4.027 10 20 IICD CCC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(F)cc1F 808920658 KMTPBDJDBORIRS-QFIPXVFZSA-N 429.511 4.179 10 20 IICD Cc1c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cccc1-c1ncco1 815361702 RNULVBXSGVRMJM-UHFFFAOYSA-N 431.448 4.116 10 20 IICD CCCNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1 823813052 MTVZQQFOAIEMHW-UHFFFAOYSA-N 427.614 4.237 10 20 IICD COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCN(C)CC3)cc2)c1 877843484 NRVYZXCMOAMAAB-VWLOTQADSA-N 428.536 4.218 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1[N+](=O)[O-] 914793550 RXKZPRYRWGFGOO-UHFFFAOYSA-N 441.437 4.429 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(SCc2cccnc2)cc1 915778519 JNYFQSUSTFIJMI-UHFFFAOYSA-N 446.576 4.229 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCC(=O)NC(C)C 915931812 HIQAILPLRJKWQQ-SFHVURJKSA-N 436.478 4.006 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 916461564 BXCOPNVHWYBFLZ-DEOSSOPVSA-N 434.584 4.182 10 20 IICD COc1ccc(N2CCCN(C(=O)COc3ccc(Oc4ccccn4)cc3)CC2)cc1 917822169 KFFBPQUWUHTOAU-UHFFFAOYSA-N 433.508 4.000 10 20 IICD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1 917859116 GSPBUVJBFVBEFH-UHFFFAOYSA-N 448.547 4.069 10 20 IICD Cc1cc([C@@H]2CCCN2C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)on1 918583872 ZZCKXGVIYARTJD-ZKMNFCBKSA-N 447.607 4.390 10 20 IICD O=C1N[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Nc2ccc(Br)cc21 1317911790 QTUDBQYQOKBEGQ-SFHVURJKSA-N 431.290 4.202 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)cs2)cc1 1320500412 OMZFXYRCHMMREG-UHFFFAOYSA-N 448.298 4.344 10 20 IICD O=C(/C=C/c1ccsc1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1786943083 RGDDRCYMCNKXKE-FARCUNLSSA-N 435.505 4.015 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)n2)cc1 1798755607 LBEZERUNZNIESJ-QQFNCUIESA-N 446.526 4.194 10 20 IICD O=C(CCC1CCC1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707864 DQAQXWAWLFYUHO-ZDUSSCGKSA-N 449.960 4.014 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 25520606 WEHQTUHFKWAVPX-UHFFFAOYSA-N 425.916 4.375 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(C2SCCS2)cc1 27358594 AGHBYFGANINJST-UHFFFAOYSA-N 430.595 4.047 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1=O 110357491 QLDAUIYFEGFMQY-PMACEKPBSA-N 449.595 4.347 10 20 IICD CCOc1ccc(Oc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)cc1 115731682 NKLZATBASJQWLL-UHFFFAOYSA-N 442.493 4.207 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccnc(N3CCN(C)CC3)c2)cc1 236971904 SOSLNQYRVWWGTF-UHFFFAOYSA-N 429.612 4.150 10 20 IICD Cc1cc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C#N)cc1 303525052 QPGQUXHECSTRLG-QHCPKHFHSA-N 446.938 4.497 10 20 IICD CCN(C)C(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1 729123784 GJOQADKAGRJLQE-UHFFFAOYSA-N 436.483 4.365 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3coc(-c4cccs4)n3)cc2F)C[C@@H](C)O1 729947961 NAWCHUOIHMGGRC-GASCZTMLSA-N 429.517 4.015 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](COc1ccccc1)c1ccccc1 730902853 JAHXWZQXFVIGDK-RUZDIDTESA-N 431.536 4.143 10 20 IICD CS(=O)(=O)c1cccc([C@@H](NCc2ccc3c(c2)CCO3)c2cc(F)ccc2F)c1 742384732 KPISSHDSHLCPIA-HSZRJFAPSA-N 429.488 4.182 10 20 IICD COc1cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc(NC(C)=O)c1OC 742590726 UCHJPTAJZDQYBP-UHFFFAOYSA-N 439.556 4.361 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCCCCC2)nc1 742805589 MLPJUFAMWOELEW-LJQANCHMSA-N 444.526 4.462 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Br)c(F)c1 743045898 DVANPGSLFMMLBF-UHFFFAOYSA-N 441.303 4.405 10 20 IICD CCN(CC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1)C(=O)OC(C)(C)C 745836247 DVIWKPAUMSWOTL-UHFFFAOYSA-N 442.604 4.241 10 20 IICD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)C1 747017910 SFKKMVRKEHBUHH-CYFREDJKSA-N 449.595 4.419 10 20 IICD Cc1cc(CC(=O)N2CCC(OC[C@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 751339440 QSHZXIIHPYCMDT-HSZRJFAPSA-N 430.976 4.477 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1F 752969535 UEUJOIUNCHAEMQ-INIZCTEOSA-N 425.508 4.206 10 20 IICD C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)c(F)cc1O 756797680 ULPPGQUNNQOSLI-NSHDSACASA-N 429.311 4.007 10 20 IICD COC(=O)COc1ccc(NC(=S)NCCCN(C)c2ccccc2)c2ccccc12 758445208 JVRDLOJLUFYGOO-UHFFFAOYSA-N 437.565 4.205 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)c1 760895006 FLLQTGVXQMKMAO-GFCCVEGCSA-N 435.318 4.103 10 20 IICD COC(=O)c1cn([C@@H]2CCCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nn1 762819277 ZSUQZEUTZYFURS-LJQANCHMSA-N 433.472 4.349 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCC(=O)N(C)C 765381159 HRSHHNKJVFTKSN-IBGZPJMESA-N 425.573 4.003 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cc1I 765414354 XARLLXXHHMIHNO-UHFFFAOYSA-N 440.281 4.450 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)C2)c1 766437318 JKNPIEHJRWPNLE-ROUUACIJSA-N 445.991 4.123 10 20 IICD COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 775375104 IVTKQTKWFNTKCR-RYUDHWBXSA-N 433.480 4.480 10 20 IICD COc1ccc(-c2nnc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)s2)cc1 775837199 KYXPGOFAEXSGBE-SFHVURJKSA-N 440.525 4.132 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 779475771 QWUSXBOCIMUXFZ-YFTVHVBSSA-N 437.517 4.364 10 20 IICD CC[C@@H]1C[C@@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782002802 SVODOLBPPICMOM-WMQCIHAUSA-N 433.593 4.030 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3cnc4cc(Cl)c(Cl)cc4n3)cc2)C1 782291341 RETPMAONAGMUFO-AWEZNQCLSA-N 430.339 4.250 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 782565929 DOWKBUQVNZAVIZ-UHFFFAOYSA-N 432.977 4.390 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cc(Cl)cc2c1OCC2 782954141 ZFFSDCPTABCWSW-UHFFFAOYSA-N 426.866 4.420 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCOc2c(F)cccc21 785582723 AQANMOPDJHUGGP-IBGZPJMESA-N 435.446 4.219 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)cc1)C1CCCCC1 789409531 VOTOQZOXGCVPLL-UHFFFAOYSA-N 426.586 4.434 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)CCC4)C2=O)cn1 790107366 GPOPJQHFJMXKTD-XDHOZWIPSA-N 425.579 4.059 10 20 IICD CCn1ncc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C(F)(F)F 799237760 JQBUMXFJJZDVDS-LBPRGKRZSA-N 447.408 4.314 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC1CCC(F)(F)CC1 799887833 JDJZJEFXEJYZSQ-UHFFFAOYSA-N 435.437 4.167 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H](c1cncc(Br)c1)C1CC1 806958229 FBVCCIIVJLDTLA-CQSZACIVSA-N 427.393 4.233 10 20 IICD COc1ccc(-c2nsc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n2)cc1 809928163 LRDWLYLNYOPHBE-GOSISDBHSA-N 440.525 4.132 10 20 IICD Cc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812394136 PAVISDHPXALUHD-PZJWPPBQSA-N 437.613 4.331 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CC[C@H]3CCCC[C@H]3C1)c2[N+](=O)[O-] 823716844 SUFNVLJDKGAJAF-OWCLPIDISA-N 432.476 4.459 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 857439170 GHMVTBREKNOFDZ-UHFFFAOYSA-N 449.313 4.085 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCCN1C(=O)CCC1=O 913538477 WQUCOXXFHQKLCQ-UHFFFAOYSA-N 436.375 4.210 10 20 IICD C[C@@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1=O 914455162 MVPHGKNHEWVMPI-IBGZPJMESA-N 447.535 4.079 10 20 IICD C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H]2CCCC[C@H]21 915175974 HDZSJZFLKYCPFJ-SIFCLUCFSA-N 432.476 4.411 10 20 IICD Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(Br)c1 917658071 NASUJWFDPMOXEX-UHFFFAOYSA-N 425.392 4.423 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 918461327 SPBIWKDIDIEZQI-UHFFFAOYSA-N 429.520 4.040 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CC(C)(C)[C@@H]3c3ccccc3)CC2)cc1 919899968 CIWHOWRSBMUYCH-DEOSSOPVSA-N 436.600 4.000 10 20 IICD C[C@@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 920920637 KGQDAOHHASCEHU-HXUWFJFHSA-N 446.551 4.058 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 1116309929 ZCVCGOZNDIQJEA-DHIUTWEWSA-N 429.992 4.245 10 20 IICD Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cc1 1800719200 XSCVEBNPVALJQK-FZDIXFNVSA-N 442.943 4.115 10 20 IICD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c(O)c1 1845399570 MRFOTVSZQRBJLM-UHFFFAOYSA-N 443.547 4.239 10 20 IICD CN(C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C1CCCCC1 10732799 QQIWWEZRCKPXRF-UHFFFAOYSA-N 439.895 4.063 10 20 IICD CCn1c(/C(Cl)=C/c2cccnc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 18064665 ZWPBDTQNPVFQFW-AQTBWJFISA-N 430.961 4.363 10 20 IICD COc1ccc(N2CCN([C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1 39561477 NUEQDIYGIBMTPL-CVEARBPZSA-N 438.597 4.001 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)CC1 303376268 LKIJWOGQJIVCTM-UHFFFAOYSA-N 447.583 4.113 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)n(C)c2ccccc12 501433395 BXYFYRJVFBZRAO-CQSZACIVSA-N 433.430 4.071 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)c2C)cc1 725758224 ZRSJSLTWULRVIC-UHFFFAOYSA-N 447.535 4.450 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OCC(C)C 726627964 STYZRBXEUILKLN-ODLFYWEKSA-N 442.562 4.235 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccn2)SC1=S 727176767 ONWQJDXSLBCXNI-DEDYPNTBSA-N 441.622 4.450 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 727245416 CXELZDLJHFAEHI-UHFFFAOYSA-N 440.905 4.498 10 20 IICD Cc1cc(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(C)n1-c1ccccn1 728965182 QYSJUTXEHHYSHB-FQEVSTJZSA-N 437.849 4.322 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3C3CCOCC3)c2C)c1 729937377 ZJZYIIJXTLYSRC-UHFFFAOYSA-N 443.598 4.129 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN(CC)C(c3ccccc3)c3ccccc3)nc12 730261506 LQVDXPOSBDNDFW-UHFFFAOYSA-N 430.508 4.223 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)cc2)CC1 731109984 UZFKGJVUVUUISL-HSZRJFAPSA-N 436.556 4.362 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2csc(-c3cnn(C)c3)n2)cc1 731884592 DBIAKHYIPRAHDR-UHFFFAOYSA-N 447.564 4.465 10 20 IICD CCN(CC)CCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 735745420 ICMUAOBHGKHEBH-HXUWFJFHSA-N 440.588 4.127 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2ccco2)nc1O 742801716 SCLWGUJQUJTWTP-CQSZACIVSA-N 429.423 4.047 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)N[C@@H]3CCc4ccccc4C3)CC2)cc1 742991980 DHGQIVRFRPIMJQ-LJQANCHMSA-N 431.552 4.278 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 747643983 VECLWUOGAWPULA-UHFFFAOYSA-N 438.509 4.079 10 20 IICD CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1F 747876000 AWUUVNBTNDYBIJ-YPCIICBESA-N 438.409 4.222 10 20 IICD C[C@H](C[C@H](O)c1cccs1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752662455 BTMWQHWPTKHDLC-KDOFPFPSSA-N 439.528 4.130 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2cc(Br)c(F)cc2O)cc1 756356989 ATAYWMIPGKMOTC-QRWLVFNGSA-N 437.353 4.326 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)cc1 758416748 QZYKZTCELMQDCK-VBEHJTROSA-N 429.519 4.041 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC[C@@H]1CCCCO1 760722736 RUNQEYHTLAKWDD-JEFCNZTNSA-N 438.640 4.195 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1)c1cccs1 761571484 XNTSGIXGVKNVSE-UHFFFAOYSA-N 438.490 4.453 10 20 IICD C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 766074644 YPVQHHNQMIPLIS-HNNXBMFYSA-N 439.419 4.418 10 20 IICD Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)c1 766610338 SYWWKYHTMVOTJQ-UHFFFAOYSA-N 428.496 4.093 10 20 IICD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc(Br)ccc2O)CC1 768815975 OVIWXBLSEDBVAO-HNNXBMFYSA-N 443.345 4.084 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 769126487 NGEOODGPNPQZGP-MSOLQXFVSA-N 437.531 4.438 10 20 IICD C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 769424102 QZUXVMLXPCDVTC-PKOBYXMFSA-N 432.565 4.320 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F 771193342 YFYURPANIVUUAG-UHFFFAOYSA-N 445.445 4.049 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4cnc(OCC(F)F)cn4)no3)ccc21 771747271 UJTQFRACCLRFHS-UHFFFAOYSA-N 429.427 4.055 10 20 IICD CC(C)c1ccc(N2Cc3ccc(NC(=O)C(=O)NCc4ccccc4O)cc3C2)cc1 772226815 QPUIULPWOQGPJC-UHFFFAOYSA-N 429.520 4.291 10 20 IICD C[C@@H](NCC[S@@](=O)c1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1 775261503 VRCIERJIOUVZKN-YVORESIASA-N 427.397 4.288 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 775369102 JFJOIIAQLMFGOV-SNVBAGLBSA-N 447.251 4.471 10 20 IICD O=S1(=O)CC[C@@H](NCc2ccc(N3CCCC3)cc2)c2cc(Br)ccc21 775492401 NVBVOACQXYFFJT-LJQANCHMSA-N 435.387 4.058 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1sc(-c2cccs2)nc1C 777829473 YDBUUBGBRAALCL-UHFFFAOYSA-N 436.942 4.354 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 778585652 VJRNPRKLQUVCQC-AEFFLSMTSA-N 440.540 4.064 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cncc3ccccc23)cc1 782424042 WNZXLAYRBJCESP-UHFFFAOYSA-N 428.492 4.061 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(F)cc(F)c3Br)CC2)cc1 785869105 NBYWKLVBCLAGJJ-UHFFFAOYSA-N 440.288 4.480 10 20 IICD Cc1ccc(-n2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cn2)c(C)c1 786428102 XKXKIPNOULMBIQ-UHFFFAOYSA-N 431.540 4.376 10 20 IICD Cc1cc(C)c([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)c1 788564019 RKFOPYCYLXVDAT-IBGZPJMESA-N 435.547 4.116 10 20 IICD Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1Br 791060164 OAPQJTHCEMITFQ-MRXNPFEDSA-N 447.373 4.267 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)c(F)cc1O 800993367 KFRQKPJZFZWWNI-GDBMZVCRSA-N 435.337 4.178 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc1 802297938 HBZYPLWUAJHQPQ-PMACEKPBSA-N 437.588 4.365 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O 806332206 KWUXAWSDCVILMW-UHFFFAOYSA-N 426.300 4.121 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807094257 UFILHUFNGNDIPT-XMSQKQJNSA-N 435.593 4.400 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 807410596 QHZYYXDIZPGPHY-UHFFFAOYSA-N 439.987 4.137 10 20 IICD CCc1cc(Br)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513091 SZGQDDLKYSLSPO-UHFFFAOYSA-N 446.128 4.279 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)cc2F)C[C@H](C)O1 810167988 RZKJZVZFKDEHMJ-HOTGVXAUSA-N 444.934 4.010 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)OCCCO3)c(C)n1-c1ccc(Br)cc1 815159590 WCFZKMXFCYDVAI-UHFFFAOYSA-N 447.373 4.268 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]cc1-c1ccccc1 917380798 MEWRYIUBUQRCOK-UHFFFAOYSA-N 429.442 4.467 10 20 IICD COC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 917938424 MJZPEQDIHZMUPK-AWEZNQCLSA-N 443.459 4.079 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3Cc3ccccc3)cc2)C1 918027127 XQXVTFQNTFYTCB-HSZRJFAPSA-N 442.563 4.301 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCSCc3ccccc3F)cc2F)C[C@H](C)O1 918189529 YXRLONAVIOCKSR-IRXDYDNUSA-N 449.567 4.311 10 20 IICD O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293663 BTYGWLYRHTYDPH-UHFFFAOYSA-N 448.397 4.094 10 20 IICD O=C(Nc1ccccc1N1CCCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293896 HPULGBQCGFWQGL-UHFFFAOYSA-N 433.508 4.143 10 20 IICD CCCc1ccccc1NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919772805 LFYFLVKPJPFDTC-UHFFFAOYSA-N 448.546 4.217 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2c(s1)-c1ccccc1OC2 919968635 LVIPSYVZZZMMIB-UHFFFAOYSA-N 434.561 4.446 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)/C=C\c3cc(Cl)cc(Cl)c3)cc2)C1 1317900617 GIRIKPNCPUYWGO-CTEOGUNLSA-N 432.351 4.025 10 20 IICD CC(=O)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790777288 RCVIDDWMOBKRBN-ZDUSSCGKSA-N 444.915 4.114 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC=CO2)C3)cc1 1800513237 CUYNNWNUPYZWAY-IGABQKFOSA-N 433.552 4.039 10 20 IICD CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cn1 1842357888 GNHVNKQSNRVVRM-UHFFFAOYSA-N 442.563 4.182 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210723016 YVJYNGNVFZERIC-RVDMUPIBSA-N 433.536 4.276 10 20 IICD CCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 216485470 JEWHLVYJCHKNKG-IBGZPJMESA-N 431.536 4.344 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1cccnc1Cl 320823116 POWDKLPWEDNGDW-UHFFFAOYSA-N 430.736 4.422 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)ccc21 461432007 SGVMPDFLFAOQQU-JWQCQUIFSA-N 445.607 4.499 10 20 IICD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)NCc1c(C)c2ccccc2n1C 472219386 INRHJBLKQXYZQI-OAQYLSRUSA-N 434.540 4.116 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21 481906386 IXMGLYYOZIJDBA-IBGZPJMESA-N 431.540 4.318 10 20 IICD O=C(NCc1ncc(-c2ccccc2)o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610890 LPPZNLAJZMJSEE-UHFFFAOYSA-N 442.466 4.411 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(F)cc3Br)CC2)cc1 726708030 KIFCHSCDYJYALI-UHFFFAOYSA-N 436.325 4.065 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)CC2)cc1 726708340 LFLZKCKDKOBKIW-GOTSBHOMSA-N 427.520 4.023 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O 727420797 WRNPGSFTRYJRKE-NRFANRHFSA-N 434.993 4.103 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 729062313 PTIPLNVLXPUCOU-QGZVFWFLSA-N 434.492 4.104 10 20 IICD O=C(NCCCSc1nccs1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 733884281 PNBSEDAROPABRB-OAHLLOKOSA-N 444.409 4.353 10 20 IICD COc1ccc(N2CCCN(C(=O)NC3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1 734866439 ZBQPKRMOZSEJGS-OAQYLSRUSA-N 436.600 4.143 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)c1C 735407395 FRMANEQPTLCGAA-UHFFFAOYSA-N 433.511 4.453 10 20 IICD C[C@H](Oc1cccnc1)C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 735422502 ZCIPURDZLNHVJY-AWEZNQCLSA-N 432.388 4.136 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 742637294 MZDTUAAPGMIHEK-INIZCTEOSA-N 449.642 4.193 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(OCc2ccccc2F)cc1 743958157 ONSIBNPNVJPPNX-UHFFFAOYSA-N 448.494 4.244 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@@H]([C@H]3CCOC3)C2)sc(C)c1-c1ccccc1 750261359 KYDAXFUZWUKARG-MOPGFXCFSA-N 442.581 4.197 10 20 IICD O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1C[C@H]1CCCO1 750302590 MNHIDCOOQVAJKE-JPYJTQIMSA-N 436.512 4.331 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1Cl 751359178 HPEBMWSPUDLGLQ-UHFFFAOYSA-N 440.924 4.277 10 20 IICD CCn1c(-c2ccccc2)nn(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1=S 754014022 PWTJGSLQSTYTLB-UHFFFAOYSA-N 427.549 4.028 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3csnc3C(=O)OC)n2)cc1 755735928 DCFLNZMZRFINPQ-UHFFFAOYSA-N 437.568 4.197 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1C 755963164 QGJCKVQYQFYRDL-UHFFFAOYSA-N 438.958 4.364 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cc(Br)cc(F)c3O)C2)c1 756635898 BPWINJTUZBVNPI-JSGCOSHPSA-N 439.325 4.241 10 20 IICD CCOc1cc(C)ccc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 757426710 ZEILOSFFDAVSEH-UHFFFAOYSA-N 444.443 4.007 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1-n1nnnc1C 757594488 NCSOCHSYAXRAQU-VIFPVBQESA-N 438.713 4.274 10 20 IICD C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(Cc2ccc(C(F)(F)F)cc2)C1=O 761163208 NKOGPILNPAIELO-MRXNPFEDSA-N 447.457 4.067 10 20 IICD C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 765076926 FBLPLBLKVABFQM-OAHLLOKOSA-N 439.453 4.188 10 20 IICD Cc1c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1 765332438 XWYFZIFCIXHWEX-DLBZAZTESA-N 425.964 4.478 10 20 IICD C[C@H](NC(=O)C[C@@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 766908782 DSLRTYBBVXLQPB-ACDBMABISA-N 438.616 4.290 10 20 IICD COc1cc(O)c(CN(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cc1OC 768465714 QTAASSYBOLECNY-UHFFFAOYSA-N 428.577 4.156 10 20 IICD CCc1nc2cc(NC(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)ccc2o1 769714660 UYJGXMIYBNXJMP-UHFFFAOYSA-N 443.506 4.210 10 20 IICD CCN(CCC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1)CC1CC1 771425267 YXIHERQFNCOBQX-NRFANRHFSA-N 442.648 4.128 10 20 IICD Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1ccc(N2CCN(C)CC2)cc1 771846845 MMKSDWYNFKQWAK-UHFFFAOYSA-N 430.600 4.344 10 20 IICD CC(C)c1nccn1Cc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 771906799 XKRMVJGXAXHYQY-UHFFFAOYSA-N 438.915 4.383 10 20 IICD CSc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 775153286 PFMGCQBFDKQZNA-OAHLLOKOSA-N 449.523 4.042 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 775522095 QDEAEDDPBASQDP-UHFFFAOYSA-N 429.542 4.204 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)c(Br)c2)SC1=S 775637995 VBUXGDOSYUJMQG-WQLSENKSSA-N 434.764 4.257 10 20 IICD CC(C)(C)OC(=O)C1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775679405 ZOAGHHHWDKZGCV-UHFFFAOYSA-N 449.183 4.471 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccccc1OCc1cccc(Br)c1 778924736 YXUMCDKXPLMAJM-UHFFFAOYSA-N 428.282 4.369 10 20 IICD Brc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)cc1 779023676 VSACOLJRCHGJMG-FCHUYYIVSA-N 431.374 4.296 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1 783088530 NDDDUSLDMABGIX-UHFFFAOYSA-N 447.583 4.355 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 792037436 BCFPVNOSVIEDAK-UYAOXDASSA-N 429.511 4.061 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 792884725 ZRIKMFJTKNWFIE-AZUAARDMSA-N 429.511 4.061 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1 795397539 FDQPYHABYMYPCK-UHFFFAOYSA-N 429.520 4.300 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 801980589 BDFAOYCRRAVOQJ-UHFFFAOYSA-N 438.616 4.042 10 20 IICD COc1ccccc1Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)C 802665421 UCWFEMNJVFVPML-UHFFFAOYSA-N 449.599 4.007 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cscc1Br 802782204 PEHGGVULMZQIJC-CYBMUJFWSA-N 429.767 4.264 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N(Cc1cccs1)Cc1cccs1 806281219 QRNZZDNSDWUNRB-UHFFFAOYSA-N 437.637 4.094 10 20 IICD CC[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1O 810234082 XDPKUCVJDZQMAK-IBGZPJMESA-N 437.462 4.245 10 20 IICD C[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(N(C)C)cc1 813720085 QTBTVHJDRBVQPG-MJGOQNOKSA-N 430.593 4.435 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCSC)C2=O)cc(Br)c1O 814267167 UFRIKCHLDSTALD-XYOKQWHBSA-N 434.402 4.118 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)cc1 814274471 OAABDLQUEZIKCD-YVLHZVERSA-N 443.502 4.006 10 20 IICD C[C@H](N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 815653223 HHJALCWZMAWHGN-YZZKKUAISA-N 443.538 4.204 10 20 IICD C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917252318 ZFOKQXQAPQHPLU-LBPRGKRZSA-N 435.505 4.262 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 917380489 AEZAPTCZDFGYNW-UHFFFAOYSA-N 448.363 4.371 10 20 IICD CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 917835997 JTUJVAMQEHUCBL-NRFANRHFSA-N 442.563 4.086 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 918139445 DJMXSPLABJQECK-GASCZTMLSA-N 442.922 4.413 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 920940124 WWHVHJXDFCIZFB-QZTJIDSGSA-N 445.633 4.261 10 20 IICD CC(C)n1ncc2c1[C@@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CCC2 1116629036 HRYIEXCQWYEDMH-FQEVSTJZSA-N 447.530 4.411 10 20 IICD CC(C)/C=C/C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673618 AIHUQWVHDVWIGY-NTEUORMPSA-N 444.535 4.126 10 20 IICD O=C(c1ccsc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830734650 AOEVKAMRPJRFAH-SFHVURJKSA-N 448.972 4.360 10 20 IICD Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 18215366 LUVQPYORIMMADJ-UHFFFAOYSA-N 437.565 4.100 10 20 IICD COc1cc(Br)c(/C=C2\SC(=S)N(CCCSC)C2=O)cc1O 28843212 DDNOQLYLCNIWNN-QPEQYQDCSA-N 434.402 4.118 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 105176073 PSRYXWIWTPTSEB-UHFFFAOYSA-N 443.547 4.331 10 20 IICD Cc1ccc(C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccn2)cc1 303645234 ILQBYQHHBZQTTB-DEOSSOPVSA-N 448.542 4.149 10 20 IICD Cc1ccc(C2=CCN(C(=O)Cn3c4c(c5ccccc53)CN(C(C)C)CC4)CC2)cn1 444353231 RUNTUCJQAVESBG-UHFFFAOYSA-N 428.580 4.427 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)ccc21 728637026 GTJGFORRIOMAHU-SFHVURJKSA-N 440.515 4.248 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 728950489 QEKKVPAMPNCUOU-LSDHHAIUSA-N 448.361 4.050 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3N(C)C)cc2F)C[C@@H](C)O1 737009557 TUTHLASZKUJKPV-GASCZTMLSA-N 434.943 4.480 10 20 IICD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)N(Cc1ccco1)Cc1ccccc1O 740483862 ISGMTUKHHSHJAS-FQEVSTJZSA-N 439.899 4.156 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3SC)SC2=S)cn1 741302715 VQGSVOIKOYIGLB-LZYBPNLTSA-N 434.564 4.235 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3cc(N4CCNC4=O)ccc3Cl)cc2)CC1 742071075 FJHHLYAPCGSUOT-UHFFFAOYSA-N 426.948 4.036 10 20 IICD CCCc1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742753647 LBIXNZDBTUXVJE-QGZVFWFLSA-N 432.590 4.157 10 20 IICD FC(F)(F)Oc1ccc(CNC(=S)NCc2ccc(N3CCSCC3)cc2)cc1 742988691 WQDPZCCUNIZVSX-UHFFFAOYSA-N 441.544 4.303 10 20 IICD OCC1CCN(c2ccc(CNc3ncnc4cc(F)c(Br)cc34)cc2)CC1 753549333 MJHYLNLVBDUTDL-UHFFFAOYSA-N 445.336 4.352 10 20 IICD COC(=O)C1=NOC2(CCN(C(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)CC2)C1 753693305 MTBAIVMQNLSSJK-UHFFFAOYSA-N 437.540 4.142 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)C2CC2)cc1 754179734 HGHQUJATXJENSS-UHFFFAOYSA-N 433.474 4.377 10 20 IICD C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(Br)c(F)cc1O 756461789 VSRSHHIVYCPRSO-HXPMCKFVSA-N 437.309 4.262 10 20 IICD CN(CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C(=O)OCc1ccccc1 756464459 ZHAAYVVMVUBYSW-UHFFFAOYSA-N 435.524 4.143 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1O 756477333 YTPWUDJBBUCKKX-CYBMUJFWSA-N 429.369 4.334 10 20 IICD C[C@H](NCCc1ccc(OCCN(C)C)cc1)c1cc(Br)cc(F)c1O 756548463 KPOATNBSBLPWFR-AWEZNQCLSA-N 425.342 4.128 10 20 IICD C[C@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cc(Br)cc(F)c1O 756843317 BZSJEAWHITUYKJ-ZDUSSCGKSA-N 437.357 4.392 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1Cn1cncn1 758387548 FBAUQCVEHNRBEK-UHFFFAOYSA-N 449.920 4.043 10 20 IICD C[C@H](c1ccc(F)c(Br)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761283090 YKGWAGAVQBEUDU-SNVBAGLBSA-N 441.684 4.473 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)cccc12 766744429 XKQACQMEWHUYDU-UHFFFAOYSA-N 439.518 4.254 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 767931146 LQQANTJRXGEWJO-UHFFFAOYSA-N 428.558 4.490 10 20 IICD COc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1 769203452 PPGIJURVKMPMMN-DEOSSOPVSA-N 435.524 4.056 10 20 IICD Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccc2)cc1 773749702 BQPKXWHYNPSYRT-GCJKJVERSA-N 432.520 4.015 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)CC1 781045073 CCFSHIXMXIZIMZ-UHFFFAOYSA-N 427.595 4.086 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1 787576847 SSPHYADSAISJLP-UHFFFAOYSA-N 449.345 4.238 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccnc(Oc2ccc(F)cc2F)c1 788742674 ICOPOOZPEWMHPJ-UHFFFAOYSA-N 440.450 4.310 10 20 IICD C[C@@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 788909358 OGCOLXHWGXGNRG-GOSISDBHSA-N 439.531 4.028 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 790479621 YECHYRJHKVXWDR-UHFFFAOYSA-N 430.429 4.360 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)C[C@@H]2CCCOC2)sc(C)c1-c1ccccc1 795914622 XBUKTVRGFGBHJE-INIZCTEOSA-N 445.537 4.199 10 20 IICD Cn1cc(Oc2ccccc2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 800902894 FDQYHGSXAQCBOT-MRXNPFEDSA-N 442.466 4.213 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1nccn1-c1ccccc1 801757422 QEYZFFOITKJDIQ-UHFFFAOYSA-N 445.445 4.049 10 20 IICD O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1cc(Cl)cc(Cl)c1O 807833630 COAHGXOGMGBZMI-UHFFFAOYSA-N 442.349 4.328 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 808095766 RRUWRLGZBRJWCW-UHFFFAOYSA-N 426.444 4.459 10 20 IICD COC(=O)c1ccc(Cl)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 810318537 DYHHWUKVEHEZLD-UHFFFAOYSA-N 438.858 4.127 10 20 IICD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc1 811262881 WAFLHDRYFOONBY-HNNXBMFYSA-N 442.471 4.164 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1 813886180 XQZWPTMGSCEVRW-INIZCTEOSA-N 440.521 4.294 10 20 IICD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 815017470 LYTUNIXRKRHXRC-UHFFFAOYSA-N 428.869 4.226 10 20 IICD Cc1ccc(OCCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914333555 FJJGCBHEFFDPKZ-JXAWBTAJSA-N 446.619 4.233 10 20 IICD COc1ccc(OC)c([C@H](O)CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 915071442 LVWAVTSLAJUOGK-JOCHJYFZSA-N 442.943 4.157 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 916387073 ZIDPGGBHPUMJAJ-SFTDATJTSA-N 438.616 4.094 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(Cl)cccc4s3)cc2)C1 917832888 JESCYZQUVIPLHE-OAHLLOKOSA-N 427.957 4.186 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 918308541 LEFMERPSDYNXNW-UHFFFAOYSA-N 432.524 4.293 10 20 IICD Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 919970520 IMAAOLAKERBKBZ-UHFFFAOYSA-N 446.522 4.256 10 20 IICD CCCCOc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920179755 AOLABGMQHCYZRV-UHFFFAOYSA-N 449.574 4.411 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1)c1cc(O)nc(O)c1 1788429100 VGSUTDJIZKIAOA-LEWJYISDSA-N 443.503 4.044 10 20 IICD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCCCC1)CC2)c1cc(O)c(O)c(Cl)c1 1823708536 FQCRUANMOGEROM-ZDUSSCGKSA-N 449.960 4.014 10 20 IICD O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501353 FUMKXYIEWCLOIW-CGTJXYLNSA-N 446.975 4.175 10 20 IICD COCc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)sc2cccc(F)c12 27860828 JYWCOFPSKKRNHV-UHFFFAOYSA-N 444.528 4.068 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 105175239 UPVVJJREWMANAX-UHFFFAOYSA-N 437.565 4.216 10 20 IICD O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1ccc(-c2nc(C3CC3)no2)cc1 433727878 JVAMHSWNVJVPCW-UHFFFAOYSA-N 427.489 4.140 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(-c2ccc(F)cc2Cl)nn1 535148128 UPEMMRIQHNASAN-GHXNOFRVSA-N 427.892 4.392 10 20 IICD COc1ccc(N2CCC(NC(=O)CSc3nccn3-c3ccccc3C)CC2)cc1 726562065 DSAFBQMLDIRCHY-UHFFFAOYSA-N 436.581 4.067 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCSCC4)c(C)c3)CC2)cc1 726697461 JXQRRDAYSKKNAF-UHFFFAOYSA-N 440.613 4.347 10 20 IICD Cc1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2c(CC(C)C)csc2n1 726968332 JQNQUFIXJZLWLW-UHFFFAOYSA-N 444.626 4.045 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 727393378 UEMXLQXPORAUHQ-UHFFFAOYSA-N 434.565 4.239 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)[C@H](C)c3ccc(F)cc3)ccc21 728637775 PXVLPWLJNMIZNL-GOSISDBHSA-N 440.515 4.420 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 729049368 NWEXCLAKRFOUHO-OAHLLOKOSA-N 437.471 4.353 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1Cl 731058988 KXHHMCXCIUUJDH-UHFFFAOYSA-N 438.914 4.044 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1F 731345804 JQEOBFQOBJANCU-UHFFFAOYSA-N 428.504 4.113 10 20 IICD CC(C)N1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)CC1 733903070 GTVBHBMJYYSXEP-UHFFFAOYSA-N 440.535 4.194 10 20 IICD CN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 734430334 ZGLWETOFRUPQKO-GGAORHGYSA-N 425.960 4.166 10 20 IICD C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 737037709 QRZQPEZTTZMYIL-VQIMIIECSA-N 429.511 4.014 10 20 IICD C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)c1ccc(N2CCOCC2)cc1 740924411 ZLZBVXXIQZXOLE-INIZCTEOSA-N 441.528 4.067 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N3CCn4c(Cc5ccccc5)nnc4C3)c2C)c1 741714823 PUYRYPAKYXPFLX-UHFFFAOYSA-N 425.536 4.241 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc1 742753516 JHZRWYLTZSBBAY-LEWJYISDSA-N 439.556 4.001 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(-c2ccccn2)s1 742799676 MMNRMEAKGAAXHR-CQSZACIVSA-N 430.480 4.205 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(-c2ccccc2F)c1 743045506 NAUBKZOTGJKCLR-UHFFFAOYSA-N 436.440 4.214 10 20 IICD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1c(O)ccc2c1CCCC2 743719764 RCIUKTFBGZFKGU-UHFFFAOYSA-N 442.515 4.117 10 20 IICD Cc1ccc(C(=O)N2CCC(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2)cc1 745799357 IHPQMSLFWCMNCQ-UHFFFAOYSA-N 436.600 4.286 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)CC2)cc1 746315228 LGWOFUYAUCPSFY-UPVQGACJSA-N 441.547 4.101 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1F 753740979 AGOKAGMWGHOHST-UHFFFAOYSA-N 432.293 4.041 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(NC(C)=O)ccc2O)cc1 755173536 JTSWCNOMGUBXCQ-UHFFFAOYSA-N 433.508 4.272 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cc(Br)ccc1O 756760435 OZOWMKKCROCYNL-DGCLKSJQSA-N 445.151 4.008 10 20 IICD C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 757645391 NCUWCVCUZJLJRV-DTQAZKPQSA-N 442.562 4.430 10 20 IICD Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 765679416 SQSKMLRBIVCIDR-OAQYLSRUSA-N 448.489 4.292 10 20 IICD COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 765994827 RZDXMAOMCQRTLS-JXFKEZNVSA-N 431.964 4.026 10 20 IICD C[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccc(N2CCOCC2)cc1 770159058 OULSLFUDAGPRAC-GOSISDBHSA-N 429.520 4.011 10 20 IICD CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)OCC3 773769493 WMRANVIKODXEFC-AKJBCIBTSA-N 436.552 4.457 10 20 IICD C[C@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Cl)c(Cl)cc1O 774140947 IAKXSRXCOKZEFR-HNNXBMFYSA-N 425.356 4.261 10 20 IICD CC[C@@H](CN(CC)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 776122386 FNSPWXSCCMVPFA-GMAHTHKFSA-N 436.600 4.114 10 20 IICD Cc1cc(C(=O)CSc2nnc(C)n2C(C)C)c(C)n1-c1ccc2c(c1)OCCO2 777579461 CSTYKGLKGDGSEE-UHFFFAOYSA-N 426.542 4.321 10 20 IICD CC[C@H](C)n1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 778290654 WOZYRNAWHKVKOW-HRAATJIYSA-N 443.592 4.224 10 20 IICD COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 780883411 RNCDDMNZEUYNKA-GASCZTMLSA-N 442.512 4.079 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3ncsc3c2)cc1 782424893 FDYJCHBJEIVQMJ-UHFFFAOYSA-N 434.521 4.123 10 20 IICD CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 787871040 HDKJLMANIDLOOH-GOSISDBHSA-N 436.508 4.179 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 792101152 KMVJYRKJGGAIQO-FXAWDEMLSA-N 430.321 4.320 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)c2C)cc1 794193633 LANXXZWTBWAJLI-XOBRGWDASA-N 444.578 4.201 10 20 IICD Cc1onc(-c2cccc(Cl)c2)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 794897684 DIXVPRFPLDNNHI-UHFFFAOYSA-N 425.916 4.412 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](N2CCCCC2)C1 802374551 SKJLPASGKUZESO-HSZRJFAPSA-N 448.615 4.064 10 20 IICD O=C(NCc1cccc(C(=O)NCc2ccco2)c1)NCc1cc(Cl)cc(Cl)c1O 806455975 CJZWRWZONIWFGA-UHFFFAOYSA-N 448.306 4.221 10 20 IICD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)sc2C1 806877608 BJCHAQMPSNMQGJ-HNNXBMFYSA-N 446.592 4.144 10 20 IICD Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807754822 RRULFBFVAHEKQF-UHFFFAOYSA-N 446.425 4.158 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCN(c2ccccc2F)C1 810318990 TWGTXPXWTXJMEA-INIZCTEOSA-N 433.474 4.039 10 20 IICD O=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc(N=Nc2ccccc2)cc1 811485139 AYXYUEFUTFSNME-UHFFFAOYSA-N 445.479 4.129 10 20 IICD CCN1CCC[C@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 884410848 UYIUBGMPNFDWGF-QFIPXVFZSA-N 426.630 4.127 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(OCCOC)cc3)n2)cc1 917907144 SXKLVNZYHKFMPL-UHFFFAOYSA-N 434.539 4.035 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918141739 ZZLGQFYARBEZMG-IAGOWNOFSA-N 436.531 4.172 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](COc1ccccc1F)c1ccccc1 919789709 ACUOZLZRIWTOOT-XMMPIXPASA-N 449.526 4.282 10 20 IICD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1 919882842 QCYHZFQXTOBCNA-HHHXNRCGSA-N 443.591 4.440 10 20 IICD CS(=O)(=O)c1cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1F 920308331 BXXYJBLJPSIYBV-UHFFFAOYSA-N 433.486 4.445 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1F 1322332796 DKZWBZFPEDOEKA-UHFFFAOYSA-N 425.894 4.362 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1843939002 NSPJUUZASAQFRP-RYQLBKOJSA-N 446.975 4.175 10 20 IICD Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 19352955 NKSKSRSQBRFTMK-UHFFFAOYSA-N 429.567 4.061 10 20 IICD COc1ccc(N2CCN(C(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)CC2)cc1 248040052 SKHVGQVTNZJBPD-UHFFFAOYSA-N 442.922 4.003 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSc1nnc(-c2cccs2)n1C 726767680 FUKVPUGHUJCRLO-UHFFFAOYSA-N 441.626 4.285 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)cc1 727105497 GLKUDJBBYYMSGF-UHFFFAOYSA-N 425.529 4.280 10 20 IICD CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 727977804 WTWTXDKFRHRTRX-UHFFFAOYSA-N 438.509 4.370 10 20 IICD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 729316102 HZKQOYYWHXWVMH-UHFFFAOYSA-N 443.613 4.028 10 20 IICD CN(C)S(=O)(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 731899974 YUBYVPYSNPOZNW-UHFFFAOYSA-N 431.558 4.009 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1 732114577 IAOQEZIQLIIBKU-QHCPKHFHSA-N 429.520 4.420 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(Br)cc1 733836360 FCPONELDSJDBHC-YVWKXTFCSA-N 432.314 4.150 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 734702027 QSQYPBYPBDJRDP-UHFFFAOYSA-N 438.915 4.157 10 20 IICD COCCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)c(OC)c1 742186612 PBRIUYHMTVSHGE-UHFFFAOYSA-N 438.524 4.413 10 20 IICD CCCCC[C@H](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 742572832 HVYIULQWKRIDDN-IBGZPJMESA-N 427.568 4.165 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CSc2ccccc2)NC(=O)OC(C)(C)C)cc1 742754516 PEIUSFRFULGHOK-HXUWFJFHSA-N 429.586 4.227 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2noc(-c3cccs3)n2)cc1 745281436 PFOLCXUECHFKPI-UHFFFAOYSA-N 437.525 4.369 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1CN1CCCC1 745362125 ABKVYBJRFYLENY-UHFFFAOYSA-N 446.389 4.482 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 745899500 RQWLFRWJNLBJMU-CQSZACIVSA-N 437.334 4.162 10 20 IICD Cc1oc2c(CN3CCO[C@@H]4C[C@@H](N(C)C)CC[C@@H]43)c(O)ccc2c(=O)c1-c1ccccc1 746647379 INLGRMLKDHHTSL-NGYIFUPDSA-N 448.563 4.158 10 20 IICD CCc1ccc(CN(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 748013158 NSEKTJAUZZPBTM-UHFFFAOYSA-N 430.551 4.089 10 20 IICD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCCCSc2nccs2)c1 749729895 DOVRELMBBZKPCU-UHFFFAOYSA-N 449.545 4.343 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2nc(O)oc12 752987042 CMJSSASZRZEFQF-GXDHUFHOSA-N 445.547 4.215 10 20 IICD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c([N+](=O)[O-])c1 753137132 LMJULUIVDPMKPP-UHFFFAOYSA-N 440.500 4.344 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C)c3)CC2)cc1F 753891889 PUIXCBLDSLTGND-UHFFFAOYSA-N 441.425 4.438 10 20 IICD COc1cc(N2CCN(C(=S)Nc3ccc(OC(C)C)cc3)CC2)cc(OC)c1OC 758919021 PKBLQXBAJZLEHE-UHFFFAOYSA-N 445.585 4.019 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccnc(-c4ccccc4)c3)CC2)cc(OC)c1OC 759992912 CBCILWSMDWMYHD-UHFFFAOYSA-N 448.523 4.129 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2ccccc2cc1OC(F)F 761360715 QHXNQGJBKIJQCN-UHFFFAOYSA-N 430.426 4.347 10 20 IICD Cc1cccc([C@H]2NC(=O)N([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)c1C 761634148 APPSJZAZXCEXPY-FXAWDEMLSA-N 429.467 4.167 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(CCc2ccco2)no1 762330965 GKIOCLPTBQLWIH-QINSGFPZSA-N 431.564 4.343 10 20 IICD C[C@@H](N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1 764775301 JQWAZOWQDNGZLB-OPAMFIHVSA-N 428.939 4.489 10 20 IICD C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C)c1ccc(N2CCOCC2)cc1 765330158 LJUWDOKQIFVFLV-OALUTQOASA-N 429.992 4.264 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 769597595 KNHHRTUSWBEIRV-UHFFFAOYSA-N 431.334 4.157 10 20 IICD COc1ccc(C[C@@H](C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 781162746 OPAYNXAXVCFNNO-AEFFLSMTSA-N 448.510 4.269 10 20 IICD Fc1cc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1N1CCN(c2ncccn2)CC1 782523410 VIETUZWXODHYDF-QZTJIDSGSA-N 437.485 4.153 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CCCCC2)cc1 784061437 CNTHNGGPEVHBEB-UHFFFAOYSA-N 448.426 4.083 10 20 IICD COC(=O)COc1ccc(CN(Cc2ccccc2O)C2CCCCC2)cc1[N+](=O)[O-] 789477935 IRHBPYFBXFZJGA-UHFFFAOYSA-N 428.485 4.187 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(C)n1-c1ccccn1 792783078 AFYGTTHRRCHXIP-FQEVSTJZSA-N 435.528 4.134 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(-c2csc(C)n2)cc1 799717801 LKYXBQLKDPBSHN-UHFFFAOYSA-N 430.913 4.293 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1-n1cccn1 805742037 ASIPPQWUXRZUFV-LJQANCHMSA-N 446.551 4.117 10 20 IICD COCCNC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 806627959 ORLHNZPOYANIPF-UHFFFAOYSA-N 425.529 4.135 10 20 IICD COc1cc(Br)cc(CNc2cccc(F)c2Cn2cccc(C)c2=O)c1O 808437132 BBOSXDHRIQHSLA-UHFFFAOYSA-N 447.304 4.433 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 812271358 XZUVNDATGHXKON-UHFFFAOYSA-N 442.506 4.110 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OCC)cc2)nc1-c1ccccc1 864887107 FILPKJJLDSLSTM-UHFFFAOYSA-N 432.523 4.186 10 20 IICD CCn1c(SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnc1-c1ccco1 914506155 HGLMQIFKPFNMQQ-UHFFFAOYSA-N 427.574 4.153 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3Cl)cc2F)C[C@H](C)O1 917916724 APBSMRBGGKNCNU-STQMWFEESA-N 447.359 4.225 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C)c1 918671650 GUAMCHLDYAODTQ-JOCHJYFZSA-N 444.579 4.034 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(N2CCCC2)c1 919778881 MGBXDVBJPZMTNT-UHFFFAOYSA-N 448.489 4.464 10 20 IICD CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 920233956 JLPSOPMSFZEVHG-UHFFFAOYSA-N 441.425 4.402 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)o1 920661988 HSSQSPAALNPXQS-HNNXBMFYSA-N 442.899 4.405 10 20 IICD C[C@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 920873288 SWOIVFAXPWBEIZ-UGKGYDQZSA-N 439.556 4.354 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)O)cc3)CCC2)cc1 1791429743 RGLMQTGSHKAKGT-IBGZPJMESA-N 431.536 4.223 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1 45899394 YJFOIBZBEXBTFN-UHFFFAOYSA-N 445.588 4.364 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccccc4C)c4c3CCC4)CC2)cc1 110354042 QLXGBZXUIIWLHC-UHFFFAOYSA-N 430.552 4.077 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)ccc21 473914620 ZOHFOHAEHZCJLV-KRWDZBQOSA-N 432.524 4.369 10 20 IICD CC(C)(C)c1cc(CNCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c(C(C)(C)C)c1 726190381 ZMEIFKPCJQOBSM-AREMUKBSSA-N 437.584 4.332 10 20 IICD COc1ccc(Br)cc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O 726196969 IIRBAGJNZYMQJJ-LFIBNONCSA-N 435.368 4.297 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)SC2=S)cn1 726197476 SQOPZRSRJBYYKM-VCHYOVAHSA-N 439.518 4.355 10 20 IICD CCOc1ccc(CN(CC(=O)NCc2ccccn2)c2ccc(OC)c(Cl)c2)cc1 727828645 FZNUNTZYUPKIPM-UHFFFAOYSA-N 439.943 4.465 10 20 IICD Cc1ccccc1COc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1 729968823 UFLMXNKZVCETGV-UHFFFAOYSA-N 430.548 4.270 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc2F)CC1 730118875 VBHOQKZYDOAXQQ-IBGZPJMESA-N 442.579 4.315 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21 730796442 ALDHUZYWKLSWGR-IBGZPJMESA-N 429.561 4.034 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1Cl 732911423 ZLUFDGBFCNGURE-UHFFFAOYSA-N 446.941 4.459 10 20 IICD COC(=O)[C@H]1CC12CCN(C(=O)c1cc(C)n(-c3ccccc3Br)c1C)CC2 733787851 LFHCUGJTWCHMGA-QGZVFWFLSA-N 445.357 4.272 10 20 IICD CC(C)(NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nccs1 734804581 SWSHPYNMDKXOSD-ACCUITESSA-N 437.637 4.238 10 20 IICD CC(C)Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)n2)cc1 734975722 YYLYIGSJEIIILZ-UHFFFAOYSA-N 441.578 4.095 10 20 IICD Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 738978761 WZTFRCFOFCTSPP-QUCCMNQESA-N 425.548 4.183 10 20 IICD O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1Cl 742333961 BDKSMWXPAURANI-CYBMUJFWSA-N 434.867 4.028 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1C 743045567 PEDCUUJMPOVFAE-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c(OC)c1 743841457 NJCXRUNPNDOMPM-DEOSSOPVSA-N 437.584 4.098 10 20 IICD CN(C)CCOc1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 745458506 PIHHRUKDRMUMGW-UHFFFAOYSA-N 425.573 4.377 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(OCC(F)(F)F)cc1 747458154 BFWULNYFQGOGNC-UHFFFAOYSA-N 428.476 4.097 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC1CCCC1 752426732 UNOSJJUWOWGSLH-UHFFFAOYSA-N 438.568 4.155 10 20 IICD CO[C@@H]1Cc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2C1 752969193 NDSLHQQJSULQIM-WIYYLYMNSA-N 431.483 4.192 10 20 IICD CC(C)c1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(C(F)(F)F)cn1 753640988 XGDLEGIJNMURSZ-CYBMUJFWSA-N 448.445 4.182 10 20 IICD COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO[C@H]3c3ccc(C)cc3)CC2)cc1F 753919752 VRJDEOZNSCLSHX-RDPSFJRHSA-N 441.547 4.142 10 20 IICD COc1ccc(CCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(OC)c1 753965907 ZDJIICVERLVNHU-QZTJIDSGSA-N 444.547 4.096 10 20 IICD C[C@@H]1C[C@@H](NCc2cccc(OCCN(C)C3CCOCC3)c2)c2c(O)ccc(F)c21 756539171 JHENEDWWXJJEBM-VGOFRKELSA-N 428.548 4.359 10 20 IICD C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756713887 WFPKOEOAXXDUIF-VFZGTOFNSA-N 433.115 4.441 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccnc(-c2ccc(Br)cc2)n1 759594080 FSDDNFBTAZYGQX-KRXBUXKQSA-N 427.254 4.074 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(Br)nn2C)cc1 760316740 ZHMYTXDEYKXKEA-UHFFFAOYSA-N 443.345 4.104 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCc4c(F)ccc(Br)c43)cc2)C1 760325602 IMQDTHGLLPDNAL-YWZLYKJASA-N 446.364 4.067 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 765764107 JDLAGUQSDRJOGS-UHFFFAOYSA-N 440.219 4.289 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cnccc3-c3ccccc3)cc2F)C[C@H](C)O1 766115584 WURNITHJBKAVLP-OALUTQOASA-N 449.526 4.197 10 20 IICD Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 769872801 FORAFTSXLBUHLN-AVRDEDQJSA-N 427.976 4.354 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@]2(C1)OCc1ccccc12 771330437 IDHCTCWSOYRMIP-KOSHJBKYSA-N 443.494 4.098 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3c(C)cccc3F)sc2C)s1 775149734 VPJARTJNNOMKFP-UHFFFAOYSA-N 439.559 4.064 10 20 IICD CC(C)Sc1ccc([C@@H](C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 775353034 QENQUWBYURNETP-GOSISDBHSA-N 445.604 4.130 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)n3)cc2F)C[C@@H](C)O1 775751030 UEKFDBTYJRCWBV-BETUJISGSA-N 426.414 4.175 10 20 IICD Cn1cc([C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2cccc(F)c2)cn1 779018579 MJBCGOJINVOFQV-QFIPXVFZSA-N 448.464 4.294 10 20 IICD COc1ccc(NC(=O)C2(NCc3cc(Cl)cc([N+](=O)[O-])c3O)CCCC2)cc1OC 779177556 FLKBZHIZDJUWDB-UHFFFAOYSA-N 449.891 4.012 10 20 IICD Cc1ccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 782858496 BXZLWGAYJVDBSQ-UHFFFAOYSA-N 429.480 4.446 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cnc1Br 782896399 MRTBVZVFESMTIG-UHFFFAOYSA-N 446.345 4.158 10 20 IICD COc1cc(Br)cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O 783596685 ZVMGGBSTCWIQAM-CYBMUJFWSA-N 434.256 4.216 10 20 IICD CO[C@@H]1Cc2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1 784080190 YCTAAQZJQQJPLE-MGPUTAFESA-N 440.499 4.015 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1)C1CCCCC1 787101216 MCPIGUJIBYUTPY-UHFFFAOYSA-N 440.548 4.107 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 788932214 MBEDHQJTNZCNCH-VWLOTQADSA-N 445.538 4.142 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3SC)cc2F)CC1 792074344 KQYBPLLJBPYPMZ-UHFFFAOYSA-N 430.593 4.031 10 20 IICD Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1F 799187589 WABQVVHSASJUEP-UHFFFAOYSA-N 431.514 4.252 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800637107 TXTGRAQLZHSRFC-INIZCTEOSA-N 429.948 4.230 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 801549658 VCEIMCAQAZFPCV-UHFFFAOYSA-N 429.314 4.439 10 20 IICD CCO[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 802754415 VQXJNVKPLTZXKH-GGAORHGYSA-N 449.599 4.394 10 20 IICD CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)NCCCSc1nccs1 806278098 MLEZMXJPRJRSOT-UHFFFAOYSA-N 425.579 4.067 10 20 IICD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807675459 XWXFURMTNVQYLD-INIZCTEOSA-N 435.490 4.386 10 20 IICD CCOCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)no1 811941368 GBENZSPTIAYHGD-ZDUSSCGKSA-N 447.333 4.267 10 20 IICD COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2Cc2ccccc2)c(OC)c1 812049417 HTLYZYWREHSJTQ-UHFFFAOYSA-N 430.508 4.353 10 20 IICD COc1ccccc1NC(=O)[C@H](OC(=O)c1sc2nc(C)cc(C)c2c1N)C(C)C 877874275 KWGSZFLPYIHPFI-GOSISDBHSA-N 427.526 4.324 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1ccccc1Br 915699462 GJWVMWIROPHOIO-UHFFFAOYSA-N 447.373 4.103 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(Cl)c3)n2)cc1 916088708 CQMIOYIQZQHODS-UHFFFAOYSA-N 426.878 4.190 10 20 IICD Cc1cc2ccccc2n1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457918 RIODOJJAXVSPQL-UHFFFAOYSA-N 431.458 4.122 10 20 IICD C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 916836389 AWNZRRJWLJZOEZ-HNNXBMFYSA-N 439.453 4.188 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3ccccc3C(F)(F)F)cc2F)C[C@@H](C)O1 917200596 GNWJZVWOEOPDDL-HUUCEWRRSA-N 440.437 4.153 10 20 IICD CN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 917310082 LXGKTTREADQFOJ-UHFFFAOYSA-N 430.533 4.391 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 917512428 DZGPBFANQUDFME-UHFFFAOYSA-N 425.529 4.329 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(OCc2cccs2)c1 919969593 SUJQNGRPNKOGBO-UHFFFAOYSA-N 440.540 4.357 10 20 IICD C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 920880847 OCOPIIZMOKXARW-INIZCTEOSA-N 441.528 4.189 10 20 IICD O=C1/C(=C/c2cc(Br)c3c(c2)OCCCO3)SC(=S)N1c1cccnc1 921259140 IUVSJLJPZYZPSA-DHDCSXOGSA-N 449.351 4.411 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 1123555736 AIIFUOCFKOESET-GOSISDBHSA-N 449.395 4.021 10 20 IICD CC(C)(C)c1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n(Cc2ccccc2)n1 1317984010 QQSIISPBGPLDPX-UHFFFAOYSA-N 447.583 4.387 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cc1OCC(N)=O 71960846 BJLYSCUYBQUHBN-UHFFFAOYSA-N 435.524 4.343 10 20 IICD CCOc1cc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 108429365 CBVUMQVXHJEIPS-UHFFFAOYSA-N 442.556 4.244 10 20 IICD OC1CCN(c2ccc(CNc3ncnc4ccc(Br)cc34)cc2F)CC1 261374364 WENRMJKGCJWHCY-UHFFFAOYSA-N 431.309 4.105 10 20 IICD O=S(=O)(c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1)C(F)F 301456829 HTGMIPCIVZTPRD-CQSZACIVSA-N 432.439 4.365 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-n3ccnc3)nc2)cc1 303508236 SLNBJTPQBNLBTL-UHFFFAOYSA-N 427.508 4.189 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)nc3C3CCCCC3)cc2F)C[C@@H](C)O1 726755179 ZNZRTRDYLXJHKW-CALCHBBNSA-N 428.552 4.151 10 20 IICD CCc1ccc([C@@H](NC(=O)COC(=O)c2ccc(C)c(O)c2O)c2cccs2)cc1 727004586 YJNPOXYTJKMSMY-HXUWFJFHSA-N 425.506 4.093 10 20 IICD CCCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 728020645 YCCSBAMTJJNGHU-UHFFFAOYSA-N 429.586 4.101 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(C)cc1 728082107 NDLHRFVXWKASSP-GOSISDBHSA-N 428.554 4.406 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1 728951262 FHNHNVVERGKSFM-INIZCTEOSA-N 443.544 4.028 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)cc1F 731345887 MXFQUJHCBUEHDE-UHFFFAOYSA-N 429.927 4.453 10 20 IICD COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3cc(O)cs3)c2C)cc1OC 732354638 PANXQQWJWCGLEL-UHFFFAOYSA-N 443.521 4.172 10 20 IICD C[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1 734273279 WCEAPGFXQPBHRP-SQJMNOBHSA-N 436.600 4.111 10 20 IICD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 738513036 FWONVBWKAKXYMZ-HNNXBMFYSA-N 438.465 4.301 10 20 IICD COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cc(OC)ccc1O 741282765 MDYJYTBJBYZGSI-GDBMZVCRSA-N 436.346 4.236 10 20 IICD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 743707408 GKUJIHCUOKKKMA-ZCYQVOJMSA-N 437.584 4.141 10 20 IICD O=C(Cc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1)Nc1ccccc1 744402249 LAWKKDBIKNMOTN-OAQYLSRUSA-N 437.565 4.211 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1C 746362407 TZLHHGBZXLTNEB-CXUHLZMHSA-N 433.576 4.318 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 753635003 ASJBYXCVEZKGPO-INIZCTEOSA-N 433.533 4.399 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](CN1CCCCC1)c1ccccc1 761028872 CEISHABWCQVTIS-FQEVSTJZSA-N 427.932 4.037 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 761973237 OPSVASBZVYKOFK-LLVKDONJSA-N 430.863 4.334 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCSC2)sc(C)c1-c1ccccc1 762022990 IBDGCZXCUDTDSN-OAHLLOKOSA-N 433.551 4.135 10 20 IICD Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCc1cccc(Br)c1O 764762629 JNSANFSVTQIEJI-UHFFFAOYSA-N 443.345 4.081 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)n2)s1 764951926 TXOLSEIBEMNOER-UHFFFAOYSA-N 445.591 4.070 10 20 IICD CCS[C@@H](C)c1noc(CN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)n1 765455482 YDTLSVNWGKYNIF-AWEZNQCLSA-N 427.526 4.158 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC([C@](C)(O)C(F)(F)F)CC3)cc2)CC1 767319172 FCCOQHDNUFAXNY-NRFANRHFSA-N 427.511 4.158 10 20 IICD COc1ccc(Br)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 767383376 NHPMJCZDLPTTMK-UHFFFAOYSA-N 432.362 4.240 10 20 IICD COc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC1CCCC1 771894613 QYMXVWRWZRGLRE-UHFFFAOYSA-N 430.888 4.344 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(C)c1 772654902 ATGFARCUZLVXMG-UHFFFAOYSA-N 433.556 4.292 10 20 IICD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773854311 BJIZQWZZJFXYQQ-SFHVURJKSA-N 444.535 4.129 10 20 IICD C[C@H](NC(=O)C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1)c1ccc(N(C)C)cc1 775406187 VMNCTHLWZCRBEI-KDURUIRLSA-N 436.600 4.044 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)cc1F 775819752 LSCROOKVUKUCJM-UHFFFAOYSA-N 447.923 4.360 10 20 IICD Cc1cc(-c2ncccc2NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cs1 782403950 NDLNKYLGQXPJSK-UHFFFAOYSA-N 434.565 4.314 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1 783088060 FMHRQVPPJUDERE-UHFFFAOYSA-N 437.519 4.122 10 20 IICD O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 785604310 YBQYJFVIYHQYPS-UHFFFAOYSA-N 447.510 4.151 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccc4ccccc4c3)cc2)CC1 786258395 DLYZVIPTXDBQKL-UHFFFAOYSA-N 429.564 4.147 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 788092353 WWZUUPANRMCBHA-PZJWPPBQSA-N 446.494 4.194 10 20 IICD CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 790833060 OSXSRQJWSSRKMD-UHFFFAOYSA-N 432.520 4.122 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(-c4cccc(F)c4F)o3)cc2)C1 790954081 KIZDLOOSTVAWIV-QGZVFWFLSA-N 425.479 4.216 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 796504277 MAPMTQFYSONHTK-UHFFFAOYSA-N 443.632 4.189 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](CN(C)CC4CC4)C3)cc2Cl)C1 800718745 CYNNVEVILLLKBL-WIYYLYMNSA-N 433.040 4.450 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ncccn2)cc1C 802609842 MNLRKCKCXBJLJJ-UHFFFAOYSA-N 434.496 4.050 10 20 IICD COc1ccc(Oc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cn2)cc1 804247651 VDBHIRDXEDFJKO-UHFFFAOYSA-N 439.855 4.210 10 20 IICD CCc1ccc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)cc1 806496075 OVEYBBCDPYANSC-DNQXCXABSA-N 448.611 4.040 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1 806855548 QDHCPQRQYVRVGY-UHFFFAOYSA-N 439.581 4.205 10 20 IICD CCn1c(SCC(=O)NCc2cc(Cl)cc(Cl)c2O)nnc1-c1cccs1 807839986 OONATPDWCFKVSG-UHFFFAOYSA-N 443.381 4.447 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OCC(F)F 808383503 HGGZCFMTIXZLSI-INIZCTEOSA-N 436.499 4.035 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@H](O)c3ccccc3)CC2)cc1 812023910 FKYQUPMEFHBUQB-IZZNHLLZSA-N 445.563 4.438 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(N4CCCNC4=O)cc3)cc2)CC1 812884944 FUAKQEDQCOZDLK-FQEVSTJZSA-N 449.599 4.403 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cc2C[C@H]1C 832310545 UDGKAUUOAVDWAW-GFCCVEGCSA-N 431.514 4.048 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 916503252 JMORWXCGBRDJBS-FQEVSTJZSA-N 445.510 4.055 10 20 IICD O=C(COc1ccc(F)cc1Br)N(Cc1ccco1)Cc1ccccc1O 917361584 UFXSELVJCUEXPT-UHFFFAOYSA-N 434.261 4.495 10 20 IICD COc1cc(C(=O)N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)ccc1C 918100343 QABHVDOVUNBZCR-UHFFFAOYSA-N 437.565 4.071 10 20 IICD Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc12 920882810 ZPIILWXXXMEORJ-GOSISDBHSA-N 441.535 4.057 10 20 IICD Cc1cc(COc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2Br)on1 921276852 WNRZGNUCHKYFPE-UHFFFAOYSA-N 444.329 4.321 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(C4CCCCC4)n3)cc2F)C[C@H](C)O1 1324729445 QMSTZZFAMYOSSZ-IRXDYDNUSA-N 429.540 4.463 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c(F)c1 1329535433 YVKOMLDMNOIAKV-CYBMUJFWSA-N 428.401 4.240 10 20 IICD C/C=C/C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1812543198 ZZJITUVYXNJURO-VHCMEYNQSA-N 442.563 4.385 10 20 IICD CN1CCCc2cc(CNC(=O)c3cccc(OCc4cn5ccccc5n4)c3)ccc21 116167078 NRQHJRUCIIFQAH-UHFFFAOYSA-N 426.520 4.226 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)cc1 303598470 JNCKGLMXORWSLC-UHFFFAOYSA-N 441.531 4.498 10 20 IICD Cc1cc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)ccc1NC(=O)C1=S=CC=C1 547168554 SWUXUGBQPUBOKF-UHFFFAOYSA-N 436.512 4.129 10 20 IICD COc1ccc(N2CCN(C(=O)CSc3nnc(CCC4CCCCC4)o3)CC2)cc1 727265334 BGEFHWZEAMKMNK-UHFFFAOYSA-N 444.601 4.032 10 20 IICD COc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 730025342 XSZWWPULZRTAOZ-UHFFFAOYSA-N 443.613 4.034 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(Cc2ccccc2F)CC1 732449668 MZNOITPAPSYHNG-UHFFFAOYSA-N 443.538 4.090 10 20 IICD Cc1ccc(OCc2cccc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2)cn1 733950435 DPKQTHQPKAFVGN-UHFFFAOYSA-N 433.577 4.452 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 734407367 PWBSTPURKOVXLK-UHFFFAOYSA-N 437.853 4.244 10 20 IICD COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CCC(=O)N2C)cc1 734433975 PKFFYMXYVXJEPQ-AZGAKELHSA-N 449.595 4.157 10 20 IICD Cc1cccc([C@@H](C)CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 741270366 OYYOYZWQCRMIFA-KRWDZBQOSA-N 435.490 4.453 10 20 IICD CN(C)c1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1F 742384562 IFUOJCVYLBJKKX-HSZRJFAPSA-N 448.510 4.453 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(Nc2ccccn2)n1 742799702 MSTKPFRSZJOXFH-CQSZACIVSA-N 445.495 4.282 10 20 IICD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 744474799 XSDZLFFDIXOGNY-AWEZNQCLSA-N 445.496 4.368 10 20 IICD O=C(NCCNc1nccc(C(F)(F)F)n1)N(Cc1ccccc1O)C1CCCCC1 745833034 PDIWMTWMXHGXOT-UHFFFAOYSA-N 437.466 4.157 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)cc1 747377102 VVBOMCTWDMOGSM-TUACAJSNSA-N 435.572 4.492 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4nccc(C)n4)cc3)CC2)cc1F 753903904 CGBKHYDPLIQQNZ-UHFFFAOYSA-N 437.475 4.079 10 20 IICD Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnn1-c1cccc(Cl)c1 754548946 STMSKMBHZGMUIU-UHFFFAOYSA-N 442.862 4.257 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 755837001 KIKQALLWVIGXJW-UHFFFAOYSA-N 433.512 4.115 10 20 IICD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 758713846 HZEWFARUCLLTDP-XPNTWCBSSA-N 428.504 4.142 10 20 IICD COc1cc(N2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC 759223656 SVNCOPDKAITKRO-UHFFFAOYSA-N 440.584 4.291 10 20 IICD COc1cc(N2CCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)cc(OC)c1OC 759243456 YBWJJWLMQFSWLW-UHFFFAOYSA-N 438.568 4.335 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C2CC2)cc1 760030007 DSCMTAQQDFNZLC-UHFFFAOYSA-N 427.512 4.078 10 20 IICD CN(C)c1ccc(-c2cncc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cc1 761711391 QYXXHPCMGMSWIA-DEOSSOPVSA-N 431.536 4.342 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 764236574 LLFMXJOGQVIIHQ-UHFFFAOYSA-N 425.819 4.248 10 20 IICD COc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1OCC(F)(F)F 765230135 ZKGIDXQONRQAON-UHFFFAOYSA-N 449.223 4.426 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3cnn(-c4ccc(F)cc4)c3C)cc2F)CC1 765851405 FREVSPHVTOAQHF-GOSISDBHSA-N 439.554 4.452 10 20 IICD C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccc(N2CCOCC2)cc1 769061152 DQWNVKOZNXTDSC-PNTFMKQHSA-N 445.567 4.009 10 20 IICD CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1OC 769685687 LRJPIDHTQJEDKZ-KRWDZBQOSA-N 446.550 4.144 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 772055647 FXLLCDAKKKKFGJ-UHFFFAOYSA-N 442.523 4.357 10 20 IICD Cc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c2cccs2)cc1 775261283 UTIXLEKFXCIJCY-FNZWTVRRSA-N 449.620 4.450 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)cc1 775565661 OEUOAAQMTVFDRT-OLZOCXBDSA-N 430.339 4.115 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cccc(C)c2Cl)nc1-c1ccccc1 776083401 QLDIWJHXQSDQKQ-UHFFFAOYSA-N 436.942 4.288 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(COC(C)(C)C)on1 777271048 YHAUATKLLMLAHM-UHFFFAOYSA-N 440.338 4.190 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778017038 CXDWUGIKBOAQKE-CQSZACIVSA-N 441.381 4.073 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@H](CO)c2ccccc2)sc(C)c1-c1ccccc1 782054077 WNWOJOQIQHYXLX-LJQANCHMSA-N 438.549 4.162 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 786077656 YHDKAVZMTVUQEA-RBBKRZOGSA-N 444.959 4.067 10 20 IICD Cc1cc(Br)cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1O 787438621 RIZBBWKNEDXWSU-GOSISDBHSA-N 439.300 4.022 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1ccccc1C(F)(F)F 793785544 ABJOWWWUYHVTOU-UHFFFAOYSA-N 447.501 4.013 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cc(COC)ccc3OC)sc2C)cc1 795544112 DSMOYSONJGWOFV-UHFFFAOYSA-N 448.566 4.473 10 20 IICD O=C(NCc1cccc(NC(=O)c2ccncc2)c1)NCc1cc(Cl)cc(Cl)c1O 804940196 KDELTWCNRJSQPG-UHFFFAOYSA-N 445.306 4.346 10 20 IICD COc1c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(Cl)cc1C(=O)N(C)C 806535662 RICWLSQKAFDAMT-UHFFFAOYSA-N 446.718 4.385 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3nc(C4CCOCC4)cs3)cc2F)C[C@@H](C)O1 806725595 QVPZZEYQRAJBTL-GASCZTMLSA-N 448.564 4.112 10 20 IICD CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 807847730 HZJNVXQQKIAXER-GOSISDBHSA-N 446.389 4.235 10 20 IICD CC(=O)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 808485209 KOTVFMRVQWVTRY-UHFFFAOYSA-N 440.304 4.039 10 20 IICD CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCOC(C)(C)C1 812024786 RYIFMEQUPFRDMQ-SFHVURJKSA-N 425.520 4.246 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCNC2=O)cc1 813241825 LHVJCZSTIBQURE-HXUWFJFHSA-N 449.599 4.499 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-n4ccnc4)cc3)SC2=S)cc1 814274705 XVGZJRNNZUISDE-UYRXBGFRSA-N 435.530 4.455 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Cc1cnc2ccccc2n1 815797373 NDZFMECTPULBPS-AWEZNQCLSA-N 428.330 4.325 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)n2)cc1 831885261 ZFPWMHUCYSUHLZ-CQSZACIVSA-N 441.578 4.471 10 20 IICD O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(O)c(O)c1 916594118 QYIZMBWBLRFMDE-UHFFFAOYSA-N 443.795 4.491 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(OC(F)(F)F)c1 916677373 LKKQRDJRGVHKAJ-UHFFFAOYSA-N 427.398 4.007 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 917925272 HNKDSRWHQGXJSD-UHFFFAOYSA-N 439.902 4.490 10 20 IICD Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 920881506 NXJUIZAPHWYGFT-OAHLLOKOSA-N 427.595 4.437 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1ccccc1-c1ccccc1 921118318 PZNVVWXBJHCQKZ-UHFFFAOYSA-N 445.563 4.411 10 20 IICD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1822734137 BXSNCCLHIAAYIN-CYBMUJFWSA-N 449.960 4.180 10 20 IICD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 248108840 JLOAAKPCTMCGMW-RSXGOPAZSA-N 447.579 4.224 10 20 IICD CC(C)(C)c1ccc(C(=O)NCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 302001096 YRGNSZFAWYPVOQ-QFIPXVFZSA-N 438.568 4.017 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 475934272 RAKLRHQGIUHYSJ-UHFFFAOYSA-N 432.480 4.312 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccnc3Nc3ccccc3OC)CC2)cc1 726562933 QPNQUVJLCPZUON-UHFFFAOYSA-N 432.524 4.241 10 20 IICD O=C(NCc1cccc2cccnc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726615059 ZCGPYKMGECZKQX-UHFFFAOYSA-N 426.467 4.304 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Cl 728065347 NXRGHMXUPHJCJV-UHFFFAOYSA-N 433.955 4.217 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1 728939111 XWRMEBQPJVSGHT-LBPRGKRZSA-N 435.406 4.191 10 20 IICD CC[C@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1 729677370 WWENJUYUVNGNQN-XOBRGWDASA-N 433.533 4.295 10 20 IICD Cc1cccc(COc2cccc(CC(=O)NCc3ccc(N4CCOCC4)cc3)c2)c1 729968813 TUGQWSPCQLMLJB-UHFFFAOYSA-N 430.548 4.270 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)cc1F 731408846 XVQVZZLBHKASMC-UHFFFAOYSA-N 426.517 4.050 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1 731845377 YTFCEGKZGYWAKS-QHCPKHFHSA-N 448.567 4.205 10 20 IICD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 734867632 RWHFEXUQDSOURR-IBGZPJMESA-N 433.955 4.261 10 20 IICD COc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCCC2)cc1 741074655 PGLIAFGCAUIZAM-VWLOTQADSA-N 434.584 4.098 10 20 IICD Cc1ccc(O[C@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742754210 NVPZTRSWICSXHT-GCJKJVERSA-N 441.572 4.211 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Oc1ccc(F)cc1 743678545 LSQGLKASDLLMDI-HNNXBMFYSA-N 437.462 4.163 10 20 IICD COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C 746739139 PYTDYFCFMNZMBV-UHFFFAOYSA-N 433.455 4.174 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(-c4ncccn4)s3)c2C)cc1 750192673 ISKIAHJZZGJYFM-UHFFFAOYSA-N 432.505 4.356 10 20 IICD Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCSCC1 750312542 NXGDFENRAXDCNJ-IBGZPJMESA-N 440.613 4.268 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccccn2)ccc1Cl 755178869 GBDSQLVWOGLLTC-UHFFFAOYSA-N 439.918 4.432 10 20 IICD C[C@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c2c(O)ccc(F)c21 756433697 XMCHZECZJIWJRX-GQIGUUNPSA-N 432.561 4.290 10 20 IICD C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)cc(Cl)c1O 756435120 WEUMYHLKLBLACW-NSHDSACASA-N 432.767 4.204 10 20 IICD CS(=O)(=O)c1cccc(Cl)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 758300315 JPNISPOQAYXKHH-UHFFFAOYSA-N 444.931 4.104 10 20 IICD C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 758543740 IQEQYPQVNOXCKQ-HGHGUNKESA-N 430.499 4.445 10 20 IICD C[C@@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 759765541 CFYUVIJHZZFWBC-KRWDZBQOSA-N 446.389 4.058 10 20 IICD Cc1ccc(C2(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CCOCC2)cc1 761983045 QSUGDSIWSIWIIJ-QFIPXVFZSA-N 442.987 4.183 10 20 IICD C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(N2CCOCC2)c(F)c1 765255140 OSSGMYUVPVZMHY-GOSISDBHSA-N 434.515 4.160 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(F)c1F 766521272 HEMQVPWYWLLKDG-CYBMUJFWSA-N 443.416 4.381 10 20 IICD COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 767714049 DHJZQEGYOBOYAM-UHFFFAOYSA-N 440.930 4.290 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CCC3CCCC3)cc2)C1 769037863 OQPISZQZUHCYPP-GMAHTHKFSA-N 426.605 4.033 10 20 IICD CN(Cc1ccccc1O)C(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 769280806 SULWYMBRPBNZLS-BUWJWBKWSA-N 446.591 4.295 10 20 IICD CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)cc3)SC2=S)cc1 771512537 DXQFOGCIVMWUFN-LTGZKZEYSA-N 439.606 4.243 10 20 IICD C[C@@H](c1cccs1)N1C(=O)/C(=C/c2ccc(N3CCN(C)CC3)cc2)SC1=S 771515237 ZFEROKPSFWLEPG-NOMGLIDZSA-N 429.636 4.462 10 20 IICD C[C@@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 771623663 HQNSGWBAFVFFTR-GOSISDBHSA-N 439.556 4.290 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1(OCc2ccccc2)CCOCC1 772717521 LVVMMWVZTJLUAE-UHFFFAOYSA-N 448.357 4.269 10 20 IICD COc1cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(Br)c1OC 773266153 NWYARADOPSAHQA-CYBMUJFWSA-N 436.350 4.093 10 20 IICD Fc1cc(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)ccc1N1CCOCC1 779018701 BRONASFUJQXNCA-FCHUYYIVSA-N 449.364 4.435 10 20 IICD COc1ccc(OC(F)F)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784058487 WRBPOPJHNVDHLR-UHFFFAOYSA-N 433.455 4.183 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 792039257 IPVMWVYNWFRTLS-GGAORHGYSA-N 425.548 4.170 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12)c1ccc(N(C)C)cc1 792359686 TZWVSFPSLOVJGH-GOSISDBHSA-N 445.567 4.107 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C(CC)CC 792497019 NIBAZDGJMGSNDN-UHFFFAOYSA-N 431.556 4.229 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 795605755 IYTUZKQNWZJMAX-UHFFFAOYSA-N 439.902 4.490 10 20 IICD Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 803677334 MKBSKACTMKWEMY-QGZVFWFLSA-N 442.629 4.365 10 20 IICD COc1ccc(-c2noc(CCCC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)cc1 807839522 GSRXLKIVBRXNOK-UHFFFAOYSA-N 436.295 4.397 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)CC1 808451960 RKTNININZVWNCM-WGSAOQKQSA-N 435.584 4.083 10 20 IICD COc1ccc2nc(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2c1 809783410 BTFHBKXHZIECDO-HSZRJFAPSA-N 433.552 4.439 10 20 IICD COC(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 810449844 PLYULNZAKQRJBT-CQSZACIVSA-N 438.858 4.127 10 20 IICD CC(C)CNC(=O)NC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772205 QHGQUDRTDSMNJO-CHHVJCJISA-N 433.580 4.087 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1 914793117 YKQFIYFCTITROS-UHFFFAOYSA-N 436.533 4.243 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1NC(C)=O 916104655 BQURKDQLAGPDDL-UHFFFAOYSA-N 431.539 4.195 10 20 IICD Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 917084167 VSWBVGMPIRXTCC-UHFFFAOYSA-N 432.568 4.379 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC[C@H]1Cc2ccccc2O1 917205250 SWEQWHVOUGFJRQ-OAQYLSRUSA-N 445.544 4.403 10 20 IICD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nccs2)nc1C 917627574 AMMQSYAWMHCLSA-UHFFFAOYSA-N 433.580 4.410 10 20 IICD COc1ccc(N2CCCN(C(=O)CSCc3ccc(Br)cc3)CC2)cc1 917821613 ASZFCBIODIUMBD-UHFFFAOYSA-N 449.414 4.430 10 20 IICD C[C@H]1CN(Cc2csc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)C[C@@H](C)O1 918028884 OSGADTXSTFEGDB-CALCHBBNSA-N 443.617 4.015 10 20 IICD CCOc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OCC 918139902 HSHZQJIJJWKIMC-CALCHBBNSA-N 430.520 4.167 10 20 IICD CC(C)[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Nc1ccccc1 918201842 OLUUZDAHSXMTRA-YYDVJCTNSA-N 442.579 4.375 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 918296642 WRRYRQXRLUZQQW-UHFFFAOYSA-N 428.872 4.205 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 919522008 ZXVGVERCAVAAGO-INIZCTEOSA-N 428.920 4.282 10 20 IICD CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(F)c1 1319091080 UQRSSPKEUAOASM-UGKGYDQZSA-N 440.563 4.114 10 20 IICD Cc1csc([C@H](N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)n1 1323792299 LXTBNBMLYVVSHF-SPLOXXLWSA-N 445.544 4.295 10 20 IICD Cc1cc(C(=O)NCCc2nccn2C(F)F)c(C)n1-c1ccccc1Br 1347054118 STMOVIBFCUYMTJ-UHFFFAOYSA-N 437.288 4.421 10 20 IICD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429062 RKRBJZBGDSKZKW-IKGGRYGDSA-N 435.524 4.067 10 20 IICD Cc1c(CNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)n(C)c2ccccc12 472223507 SZYJXRQORGAYJU-MRXNPFEDSA-N 449.473 4.087 10 20 IICD O=C(NCCCOCc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610677 OAWBBRMGGRTJGD-UHFFFAOYSA-N 433.499 4.163 10 20 IICD CN(CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)C(=O)OC(C)(C)C 729048105 YYTGXGAPXDRRJT-UHFFFAOYSA-N 430.593 4.075 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1F 732960073 XQWDBVPFAYDAGL-UHFFFAOYSA-N 446.320 4.206 10 20 IICD C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 733644953 HHIOWSVRAHFJKO-VWLOTQADSA-N 425.548 4.050 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1S(=O)(=O)NC(C)C 740801165 QEQCRSNUDCQHGA-UHFFFAOYSA-N 445.585 4.015 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 740812828 DFCQNWCBWSCJOK-UHFFFAOYSA-N 436.477 4.048 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 743081896 KYSAORXMHHFZBH-UHFFFAOYSA-N 432.318 4.101 10 20 IICD CC(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 743087917 BKRZZXJSBFYLBR-KRWDZBQOSA-N 432.471 4.345 10 20 IICD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 743581389 VPKUSZGNHDHIEU-KRWDZBQOSA-N 429.948 4.011 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 746206541 LGKQBEKACHNMDZ-IBGZPJMESA-N 425.529 4.134 10 20 IICD CCCCCn1nc(C)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 748981128 URUHASRHYXTMKZ-UHFFFAOYSA-N 439.604 4.406 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H](c2cccc(F)c2)C1 751060480 FPFWFNUHVBCXFJ-HNNXBMFYSA-N 446.525 4.023 10 20 IICD CN(C)C(=O)c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1F 752721445 UIBUSCDNNZTLSF-UHFFFAOYSA-N 438.503 4.421 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(-c4nc(C(C)C)no4)cc3)CC2)cc1F 753886198 QFZCSTSTTRKCLJ-UHFFFAOYSA-N 439.491 4.362 10 20 IICD Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754052857 RUQULWWWBYCKDO-YWZLYKJASA-N 444.576 4.233 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1CCC(F)(F)F 757246812 PRLLNTCSYPVOHX-UHFFFAOYSA-N 425.426 4.479 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccn1 760306340 IVJHARQJZWMRBJ-DEOSSOPVSA-N 448.592 4.232 10 20 IICD COc1cc(Cl)cc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c1O 761208352 ZKHXOADILQECIZ-UHFFFAOYSA-N 426.904 4.061 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])cc1F 762621166 DZZPAQUHONUGAB-INIZCTEOSA-N 449.910 4.151 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1ccc(Cl)nc1 764533866 NEARSCWTQZUGEB-UHFFFAOYSA-N 430.736 4.422 10 20 IICD C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 764760162 CCFRDHOCRAZTDW-MHECFPHRSA-N 447.982 4.040 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 764894335 DLCCRBRNXGZANT-UHFFFAOYSA-N 435.425 4.154 10 20 IICD Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)n1-c1cccc(C(C)C)c1 765344785 AWAZUEKSPVVTTO-FNZWTVRRSA-N 436.644 4.316 10 20 IICD C[C@@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 765365292 XUPNNOSHNGNBAS-LJQANCHMSA-N 425.548 4.139 10 20 IICD Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccc(Br)cc1 768378439 WDWOQXDAYLWXNE-RTBURBONSA-N 435.387 4.203 10 20 IICD Cc1noc(C)c1CN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1c(C)noc1C 769466391 MSPUKYHKBFKTEZ-UHFFFAOYSA-N 428.508 4.074 10 20 IICD COc1ccc(N2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1F 770302897 TZYCDYMYOAQXKQ-UHFFFAOYSA-N 428.489 4.188 10 20 IICD Cc1ccccc1-c1nc(C)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 773791470 GXWUUQZGLOZAPQ-IBGZPJMESA-N 448.592 4.059 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccc(N(C)C)cc1 773844445 BADWHGVMSGQVPK-KRWDZBQOSA-N 434.565 4.256 10 20 IICD CCOc1ccccc1Oc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)cn1 774979371 YJHPYBQIOPREFB-UHFFFAOYSA-N 425.441 4.185 10 20 IICD CN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(Br)n1 776378427 XCQNDUCWFLFQRY-UHFFFAOYSA-N 434.297 4.368 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](COc4ccccc4)C3)cc2F)C[C@@H](C)O1 779979556 CKCRRXAIYJADJP-SVFBPWRDSA-N 441.547 4.050 10 20 IICD CC[C@@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)c1ccccc1 785408487 UNOJHAUDBCVPKU-GOSISDBHSA-N 445.518 4.073 10 20 IICD C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 795049758 CCMKYKMAIGVCGC-ONGXBYRLSA-N 434.458 4.403 10 20 IICD CCOC(=O)c1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ncc1Cl 795070256 FPCOZCDWRQPEDC-UHFFFAOYSA-N 443.853 4.379 10 20 IICD COc1cccc([C@H](O)CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 799994874 RBNRFFQVAGQUGU-KSFYIVLOSA-N 431.964 4.118 10 20 IICD C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Br)cc(Br)c1O 800501001 WKAYFGVYEAMDDS-SECBINFHSA-N 432.160 4.115 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3Cc3ccccn3)cc2Cl)C1 800571087 FBUQTVQFJZRYGT-WZONZLPQSA-N 426.992 4.252 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800637486 ZYGFEQYCEFAHAB-OAHLLOKOSA-N 427.932 4.034 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 804171735 JMJIVCURNFPFLN-QGZVFWFLSA-N 436.581 4.122 10 20 IICD COc1ccc(CNC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c(O)c1 806655257 LZDULPZTFVMFFK-UHFFFAOYSA-N 440.403 4.140 10 20 IICD CC(=O)Nc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 913145073 HWKIMDSFIJLETM-JOCHJYFZSA-N 426.586 4.089 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(Cc1cccs1)C1CC1)c2[N+](=O)[O-] 914457534 GUMXVVRKDPWCHG-UHFFFAOYSA-N 432.457 4.237 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1 915290627 ZRGMTUWEQFQWRB-UHFFFAOYSA-N 431.451 4.274 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1 916222910 HSJSUHSZIRORMQ-HXUWFJFHSA-N 440.617 4.211 10 20 IICD Cc1ccc([C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 916838048 CNCSSNGEOJQEPB-VWLOTQADSA-N 438.572 4.057 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(C(F)(F)F)cc3)cc2F)C[C@@H](C)O1 918201555 JJGMOYGMNBSNID-HUUCEWRRSA-N 439.453 4.458 10 20 IICD COc1ccc(Br)c(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 918230940 VUJZXNVMFOYRFB-GOSISDBHSA-N 449.345 4.054 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)ccc1OCC(N)=O 918598432 XKIGLMFYVBSVIY-UHFFFAOYSA-N 449.551 4.020 10 20 IICD CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cl 919790681 WYXHXYCJUOJFHH-QHCPKHFHSA-N 445.007 4.059 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nc(COc3ccccc3)n[nH]2)c1 1116634317 NEOGPETTZCHHAJ-UHFFFAOYSA-N 435.915 4.375 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@]2(F)Cl)cc1 1802494858 QCIKURPFWHARDV-HCKMINRYSA-N 443.950 4.270 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1NS(C)(=O)=O 71846045 MPEXUZYWDMAZTJ-UHFFFAOYSA-N 427.526 4.035 10 20 IICD CC1CCN(c2ccc(NC(=O)CCC(=O)NCc3ccc4c(c3)CCCN4C)cc2)CC1 303259737 CSMZHDAMOQTGLJ-UHFFFAOYSA-N 448.611 4.340 10 20 IICD CN1c2ccc(Br)cc2N(C(=O)c2cn(C)nc2-c2cccnc2)CC1(C)C 684238017 DKDGWSJAULWZPF-UHFFFAOYSA-N 440.345 4.120 10 20 IICD CC1CCN(CCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726610003 ADJWEUYTHYNOIZ-UHFFFAOYSA-N 438.563 4.068 10 20 IICD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1 727249123 PQCKFGHDSYLOJC-UHFFFAOYSA-N 443.594 4.413 10 20 IICD O=C1/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1CCc1cccnc1 727863788 JLYIYWVVOHCANG-XAJRUKRBSA-N 426.563 4.083 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 728308095 HESBEJSKQPVTFZ-RSXGOPAZSA-N 435.612 4.496 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)ccc21 728637669 DEPUYQWLAXEHID-UHFFFAOYSA-N 432.879 4.493 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC(CCO)CC2)sc(C)c1-c1ccccc1 730260224 DNEOBGIQMGDYRJ-UHFFFAOYSA-N 444.597 4.323 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 730593518 QXCXBAOWPCTXJW-XDHOZWIPSA-N 431.535 4.135 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc21 734412865 NQQGDXTZMFMFHS-FQEVSTJZSA-N 431.577 4.184 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 734740925 XGAVSLRAKGLKFO-UHFFFAOYSA-N 439.902 4.490 10 20 IICD C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 735325523 CQZHUASFUZZBBB-CYBMUJFWSA-N 439.400 4.111 10 20 IICD Cc1csc([C@](O)(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C(F)(F)F)n1 735927701 YCNFJMHUZWWLDS-LJQANCHMSA-N 440.443 4.119 10 20 IICD Cc1csc([C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C2CC2)n1 741962780 HIVYMKQLFUNZIC-SFHVURJKSA-N 447.472 4.016 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1F 742071961 XDWFYFWGKNRDIZ-VWLOTQADSA-N 425.548 4.231 10 20 IICD CCO[C@@H](C)c1noc(CN2CCN(Cc3cc(CC)cc(C(C)(C)C)c3O)CC2)n1 743377379 LRFRBHAHSCTJLD-KRWDZBQOSA-N 430.593 4.050 10 20 IICD O=C(NCCCN(C(=O)C1CCC1)C1CC1)N(Cc1ccccc1O)C1CCCCC1 745811741 JVRCBPHVJANLHY-UHFFFAOYSA-N 427.589 4.418 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 746036331 SNBLDCRPWMAPAF-UHFFFAOYSA-N 438.919 4.099 10 20 IICD CC(C)N(CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)C 746418043 VMWFDTWVCIETNL-UHFFFAOYSA-N 426.552 4.065 10 20 IICD Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 746783273 JWBVDADFEFHFOS-UHFFFAOYSA-N 432.398 4.480 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3CSC3=NCCS3)CC2)cc1 747210421 NBWKRUFWWHZTDB-UHFFFAOYSA-N 441.622 4.384 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 750262536 ATIDQZOTASIBBT-LOFNWHPJSA-N 426.542 4.237 10 20 IICD CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 750726774 YICWIQPORCQWDM-UHFFFAOYSA-N 447.554 4.224 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3CC(=O)N(CCc4ccccc4)C3)ccc21 751184618 BPSYJABRJUMRET-JOCHJYFZSA-N 448.563 4.153 10 20 IICD C[C@H](N[C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1ccc(N2CCOCC2)cc1 751596722 OZRGNTQNSDPOIJ-WPYKKVEZSA-N 447.579 4.171 10 20 IICD O=C(CSCc1coc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 752151091 FRSSRCIKMMHEFZ-OAQYLSRUSA-N 438.549 4.488 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 753261695 HPDQSSVOTYPHNC-UHFFFAOYSA-N 439.535 4.495 10 20 IICD COC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1Br 755506466 UDASSGYCJQQPAO-UHFFFAOYSA-N 446.345 4.498 10 20 IICD C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(Br)cc1O 756479572 NIEDCCMESLUAJK-JTQLQIEISA-N 428.124 4.207 10 20 IICD C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 757643196 DCSIDXODXADNDL-NSHDSACASA-N 436.477 4.105 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cc2c(cc1Cl)OCCCO2 765236219 YBSBQIDLEHPCKW-UHFFFAOYSA-N 427.682 4.291 10 20 IICD C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C)c1ccc(N2CCOCC2)cc1 765330160 LJUWDOKQIFVFLV-RTBURBONSA-N 429.992 4.264 10 20 IICD C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(N2CCOCC2)c(F)c1 765521435 ZICYTISHXRRWEP-GOSISDBHSA-N 434.515 4.160 10 20 IICD CC(C)n1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 765886165 KXUOTKXGGMZYJX-YLJYHZDGSA-N 447.530 4.411 10 20 IICD COc1ccc(-c2noc(CN3CCN(Cc4cc(Cl)cc(Cl)c4O)CC3)n2)cc1 768226460 OQZBVXORFWQHKK-UHFFFAOYSA-N 449.338 4.075 10 20 IICD O=C(NC[C@H]1CCCN(Cc2cc(Br)ccc2O)C1)Nc1cccc(F)c1 769208125 VDAUOVOXIHSNMA-CQSZACIVSA-N 436.325 4.328 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 769292893 VPWIRMZITMDZBP-JKSUJKDBSA-N 441.366 4.197 10 20 IICD C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769637478 IJCKMUYIBLGAQG-CYBMUJFWSA-N 434.514 4.227 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 771764717 IRWPKYHQHBGXHF-UHFFFAOYSA-N 438.406 4.413 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC 771792281 YHRXBFJEGOABPT-HSZRJFAPSA-N 439.600 4.344 10 20 IICD C[C@@H](NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 774394315 DXWVNKQMXQHZOT-ZBFHGGJFSA-N 442.909 4.096 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)c(C)c1 775140000 QMAMHEZNSJMLAQ-UHFFFAOYSA-N 430.477 4.295 10 20 IICD Cc1nc(-c2cccc(NC(=O)CN[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)cs1 775254486 IZMGVBMURPYSMT-KRWDZBQOSA-N 436.581 4.244 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(Br)c1 775291573 MXIKKGSHVJIZJD-UHFFFAOYSA-N 442.331 4.057 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C)nn3[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1F 775389436 DXJIGMCPCIYHGA-ZWOKBUDYSA-N 427.524 4.054 10 20 IICD CCOC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccc(OC)c(Br)c1 779179875 ZBRZIRANTYGKOK-QGZVFWFLSA-N 428.710 4.211 10 20 IICD CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl 780401172 CTSKSGDGQNMJCT-UHFFFAOYSA-N 439.114 4.465 10 20 IICD CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 780903310 VRWUMWUMCNSHMR-DVECYGJZSA-N 426.513 4.161 10 20 IICD Cc1cc(C(=O)Cn2ccc3ncncc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 783084771 REIHAWKUFARSSB-UHFFFAOYSA-N 426.398 4.101 10 20 IICD COCCOc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783485173 HJJNEMKGMQTGDP-SFHVURJKSA-N 433.508 4.027 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1CSC 785195681 OXMDDPIUOSOFRK-UHFFFAOYSA-N 437.359 4.005 10 20 IICD C[C@@H](NC(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccc(N2CCOCC2)cc1 788306073 CKYDUOPLLJQHKJ-MRXNPFEDSA-N 425.920 4.245 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1F 788927526 VAYCNWZAODKQNV-UHFFFAOYSA-N 449.368 4.440 10 20 IICD C[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(Cl)c1O 797039852 LFNAPHKVLHIBDX-OCCSQVGLSA-N 430.774 4.139 10 20 IICD COc1ccc(CNC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c(O)c1 797646614 CMUWILHGAJVLSE-FQEVSTJZSA-N 448.445 4.306 10 20 IICD COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C 798027368 NJWMWEBGBISOKU-GASCZTMLSA-N 444.507 4.248 10 20 IICD Cc1nccnc1N1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 799389863 HXAHRELDXBBNMO-UHFFFAOYSA-N 429.528 4.229 10 20 IICD CC[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc(Cl)cc(Cl)c1O 806137674 QQXWHDWVTXIGLJ-SFHVURJKSA-N 437.371 4.037 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cc(F)c(N2CCOCC2)cc1F 806743244 OUQPUYMODGJKKE-UHFFFAOYSA-N 432.254 4.136 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 807574685 VXQSGBHYVULNKY-GOSISDBHSA-N 442.526 4.006 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(-c2ccncc2)cc1 807766616 DTDIKLXXBDGXKS-LJQANCHMSA-N 442.563 4.183 10 20 IICD CCN(CC)CC(=O)Nc1cccc(NCc2cc(Br)cc(OC)c2O)c1 808435028 XFVATPLGYBBNKF-UHFFFAOYSA-N 436.350 4.056 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 844249457 AVZHKWIYPKLPJQ-UHFFFAOYSA-N 438.914 4.044 10 20 IICD O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[n+]2[O-])c1 915988302 UDRIRZNLJWTTFV-VQHVLOKHSA-N 447.451 4.359 10 20 IICD CC(=O)c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916025869 NZERRMLWACTINL-UHFFFAOYSA-N 437.487 4.231 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)s2)cc1 917710010 YYEVQFPHEZSNIR-UHFFFAOYSA-N 441.528 4.033 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)C2CC2)cc1 918036721 DYIQSUVXQXNYDL-UHFFFAOYSA-N 426.948 4.495 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3OC3CCCC3)cc2)C1 918039339 HXNIKYRIXWBDOX-LJQANCHMSA-N 436.556 4.031 10 20 IICD CN(C)c1ccc(CNC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 919686189 JEQQQXSJQNZHIJ-UHFFFAOYSA-N 428.330 4.419 10 20 IICD O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 919968753 VLAHJWYNOYSHAP-UHFFFAOYSA-N 444.575 4.181 10 20 IICD CCN(CC(=O)N(C)Cc1cc(Br)cs1)c1ccc(OC)c(OC)c1 921061754 KILKMLNAWNGWBH-UHFFFAOYSA-N 427.364 4.013 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1c(F)cccc1Br 1319189252 ADJHHHBFNQDWIQ-UHFFFAOYSA-N 441.366 4.399 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)n(C)c2ccccc12 549661893 AIOHDFILFQLATB-UHFFFAOYSA-N 434.721 4.158 10 20 IICD Cc1onc2c(=O)n(CN(Cc3ccc(N(C)C)cc3)C(C)C)nc(-c3ccccc3)c12 725768641 AWXCBUQUFSZIBS-UHFFFAOYSA-N 431.540 4.294 10 20 IICD CC(C)n1ncc2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cnc21 726564255 FHSGRPUNFILDCO-UHFFFAOYSA-N 429.471 4.012 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1 727250701 PHFIZLXPGDUIEL-UHFFFAOYSA-N 426.903 4.261 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 727384019 LRVROSDGFUGISP-FXAWDEMLSA-N 426.561 4.397 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Oc3cccc(NC(=O)c4cnn(C)c4)c3)ccc21 728474937 HSOMWRHIBXQPMU-UHFFFAOYSA-N 446.507 4.110 10 20 IICD CCn1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 730091422 QUCKJGKMEZYQKB-MRXNPFEDSA-N 427.549 4.153 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1F 731403595 PLJCCYFBQXYIHP-MRXNPFEDSA-N 428.508 4.189 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1F 731409378 RLIIFYMEHLVIPF-UHFFFAOYSA-N 429.536 4.233 10 20 IICD C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 732482602 MJTSJXPDMINYDK-INIZCTEOSA-N 439.516 4.412 10 20 IICD Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1ccc(C(C)C)cc1 732560022 UDETWIHJELRWAA-RUZDIDTESA-N 436.644 4.458 10 20 IICD CCCC[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)Nc1cc(C)on1 732919344 CDVSQMGGRSZCQJ-LJQANCHMSA-N 436.503 4.340 10 20 IICD COc1ccc(O)c(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 734016942 PLEADCISDLSNJV-UHFFFAOYSA-N 431.467 4.252 10 20 IICD C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 737037552 OTIUAFFSESMLFO-INIZCTEOSA-N 433.955 4.213 10 20 IICD Cc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c(C)n1-c1ccc(C(C)C)cc1 739817142 RKUBHLIJGOTEFC-UHFFFAOYSA-N 431.462 4.484 10 20 IICD Cc1ccccc1C1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOCC1 742805153 HGQZDXKOBHNONL-LJQANCHMSA-N 444.522 4.430 10 20 IICD C[C@H](Oc1cccc(Br)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 743338901 MKJPLOMXWQCQHB-HNAYVOBHSA-N 434.330 4.130 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 746747028 CTIHJECQYICQFM-KBMIEXCESA-N 428.548 4.077 10 20 IICD O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 748023792 JBRQLNVPFZEUJS-LJQANCHMSA-N 425.381 4.287 10 20 IICD Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2)c1 749731334 NTPAHAXIWZZZMH-UHFFFAOYSA-N 427.551 4.481 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(-c3ccccc3Cl)c2)cc1 750874233 HHDIHDHIJBYJRV-NRFANRHFSA-N 438.959 4.413 10 20 IICD Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 752003755 CGXWLHQTLSGPHV-ZACQAIPSSA-N 444.507 4.216 10 20 IICD COc1ccc(C2=NN(C(=O)CN(C)c3ccc(OC)cc3OC)[C@@H](c3ccco3)C2)cc1 752122509 LMULARYQWCMVAA-JOCHJYFZSA-N 449.507 4.120 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 757552200 RUIKYDKKTUDXHR-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COc1ccccc1[C@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761884019 CCNANSGUUONOHW-OAQYLSRUSA-N 426.856 4.201 10 20 IICD CCN(CC)CCOc1ccccc1NC(=O)NCc1cccc(Br)c1O 765225911 GGNQUPQEYXPVHJ-UHFFFAOYSA-N 436.350 4.197 10 20 IICD O=C(CCOc1cccc(Br)c1)NCc1cccc(Br)c1O 765755167 HOFUTJOXHXNZIW-UHFFFAOYSA-N 429.108 4.003 10 20 IICD COc1ccc(N2CCC(N[C@H](C)c3cc(F)ccc3N3CCC(O)CC3)CC2)cc1 765989797 BWWZZSJVIJPQGX-GOSISDBHSA-N 427.564 4.115 10 20 IICD CN(Cc1ccccc1O)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769281399 ABFFQYBXJGQGLY-SFQUDFHCSA-N 432.592 4.094 10 20 IICD O=C(NCc1ccc(Br)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 786630440 XYYHSISWALNGEY-UHFFFAOYSA-N 445.357 4.132 10 20 IICD COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)c(O)c1 794382540 YJTIRUIAAKUYJO-UHFFFAOYSA-N 434.323 4.369 10 20 IICD Cc1noc(C2(C)CCN(c3nnc(-c4cc(C)n(-c5ccccc5)c4C)n3C)CC2)n1 800727968 UTLPNFSTMJMBMT-UHFFFAOYSA-N 431.544 4.139 10 20 IICD COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(OCCOC(C)C)c1 807839477 FONGFNLHXKYCPF-UHFFFAOYSA-N 428.312 4.441 10 20 IICD C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 812435068 ZKYBLRVYTXZBJS-UTKZUKDTSA-N 440.519 4.468 10 20 IICD CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]1c1cccnc1 813623410 YCQOZFZFLVFITR-FQEVSTJZSA-N 430.499 4.445 10 20 IICD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3cc(Cl)cc(Cl)c3O)ccc21 815143835 XAJBBCLFWSHHGV-UHFFFAOYSA-N 445.249 4.313 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)c1cc(Cl)ccc1Cl 857439671 OGMFEDSAYPKRHQ-UHFFFAOYSA-N 433.257 4.377 10 20 IICD CCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 914440140 WKRLWMHSOMASFR-ZRDIBKRKSA-N 438.625 4.172 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 914499543 SAOXXXSIIFKTNG-UHFFFAOYSA-N 430.508 4.057 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 914576860 PVWUQVCGVXMSSY-UHFFFAOYSA-N 430.507 4.382 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 916484178 XAOIQTVYZADHLB-HKUYNNGSSA-N 428.529 4.170 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1 916680785 OWPABNUFUIBFHP-UHFFFAOYSA-N 436.478 4.455 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1 916686893 UAEDJZOWOBPUCP-GASCZTMLSA-N 439.491 4.119 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCc1sccc1C 917191297 DVRCUCSACQWOAS-UHFFFAOYSA-N 429.567 4.120 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(OCC(F)(F)F)cc3)CC2)cc1 918005180 QZDSDLRKJLRTAU-UHFFFAOYSA-N 437.462 4.058 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 920341516 FCWPNBRNNCYLAE-HXUWFJFHSA-N 425.573 4.159 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 921206196 ZZJUAVVUZQCOIJ-UHFFFAOYSA-N 449.579 4.300 10 20 IICD CN1CCN(c2ccc(CNc3ccc(OCc4noc(C5CC5)n4)cc3)cc2F)CC1 1319289405 JWBKFWVFPLGCOI-UHFFFAOYSA-N 437.519 4.029 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)nc2)cc1 1798722767 KBACGINDJPEKQB-UADZTWIMSA-N 446.526 4.194 10 20 IICD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c1Cl 1800719774 NDCHTEOXEXJSGI-QDMKHBRRSA-N 449.334 4.279 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(C)C)[C@@H]2c2cccnc2)cc1 1811264954 SLZQPRMHULGCIW-UKILVPOCSA-N 444.579 4.465 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1cccc(Br)c1 110843219 YVVIVVFOZCWDNW-INIZCTEOSA-N 433.346 4.082 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 303024910 RZLUUURNKFENNX-UHFFFAOYSA-N 439.462 4.261 10 20 IICD Cc1cn(C)c(CC(=O)N2CCc3cccc(C)c32)c1C(=O)N1CCc2cccc(C)c21 426693507 DQLDLVRPFQCPHE-UHFFFAOYSA-N 427.548 4.285 10 20 IICD Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1cccc(Br)c1 437015993 WESZRIKIXIDGNP-UHFFFAOYSA-N 441.329 4.048 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 726847630 NTPJJJCBCJXADM-UHFFFAOYSA-N 428.583 4.488 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 727250918 LRIDNRGUBIHNPR-UHFFFAOYSA-N 425.875 4.181 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727264330 QRTTWPDHFLLJOR-UYRXBGFRSA-N 430.526 4.077 10 20 IICD CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 728836720 DQTYVPAKRICDRH-UHFFFAOYSA-N 442.503 4.139 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCO[C@@H](c2ccccc2)C1 729879603 HLJJPWOUMVGJOJ-JOCHJYFZSA-N 445.510 4.430 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)Cc3ccc(Cl)s3)cc2F)CC1 730134342 YPSYYFSAPJBSAG-UHFFFAOYSA-N 439.000 4.414 10 20 IICD COc1c(F)cc(Br)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 730932538 LCAVOEIBJKHRJE-UHFFFAOYSA-N 433.280 4.114 10 20 IICD COc1ccc(O)c(CNC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)c1 734067972 WTRWLUSRAJPNHX-UHFFFAOYSA-N 428.529 4.119 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@H]1c1c(F)cccc1F 734771264 RXCURSIECNIFLO-CVEARBPZSA-N 440.412 4.240 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(Cc2ccccc2F)n1 735516430 OOHJVOOCSKPDQZ-UHFFFAOYSA-N 439.556 4.012 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1)c1ccccc1 741081947 BFFHWGZUPCGFGG-VWLOTQADSA-N 446.595 4.047 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc(OC)c1OC 741795917 SQNRZKZIVQESSU-UHFFFAOYSA-N 434.492 4.018 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC3CCOCC3)cc2)cc1 742060578 XMRZODFKNCPEBU-VWLOTQADSA-N 438.568 4.132 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)c1 742172526 CMIGAIQXEVCUJA-OSPHWJPCSA-N 426.532 4.149 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801428 ZGCJLBJDVNFSNW-CYBMUJFWSA-N 429.389 4.409 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 745565527 QOPLWLXFGFKPEM-INIZCTEOSA-N 432.362 4.213 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[C@@H]1c1ccccc1 746414573 QEZOOHNFVBAIAM-VTZPFEBOSA-N 448.611 4.114 10 20 IICD CC1(C)CC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21 746969837 OMVZFAOJPSNYJD-CVDCTZTESA-N 434.584 4.000 10 20 IICD CC(C)c1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccccn1 754551088 KCDPETOYHCERNJ-UHFFFAOYSA-N 436.471 4.418 10 20 IICD Cc1cc(CC(=O)N(C)c2ccc(N3CCOCC3)nc2)c(C)n1-c1ccc(Cl)cc1 754598862 SKUDCCKHVWKWFV-UHFFFAOYSA-N 438.959 4.185 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 758417306 UYOXTJITOZLYRH-FOWTUZBSSA-N 429.567 4.236 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C(F)F 759193959 GAOHQWKQLLOIAN-CQSZACIVSA-N 442.457 4.477 10 20 IICD COc1cccc(Oc2ccc(CNC(=O)NCCCSc3nccs3)cn2)c1 759549777 JGVBXTMQEKWIBI-UHFFFAOYSA-N 430.555 4.321 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)c1 761974118 UQLCHVVKXSYOKS-HRQSHJORSA-N 436.552 4.362 10 20 IICD COc1ccc(N2CCC(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 765127767 QJGUZMASGONMNE-RTBURBONSA-N 427.564 4.207 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 767003355 FMEZOIIVGMIBRG-UHFFFAOYSA-N 438.572 4.369 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 767955443 YKNGGTREDKTRFK-UHFFFAOYSA-N 448.317 4.102 10 20 IICD Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1cccc(Br)c1 768377717 KYSZIVUWFVOASM-RBUKOAKNSA-N 435.387 4.203 10 20 IICD O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1 769166651 LHTWSASZIMJNEB-UPVQGACJSA-N 429.605 4.004 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccccc1OCc1ccncc1 769382056 TUCZIDWDONSQOL-UHFFFAOYSA-N 426.900 4.195 10 20 IICD O=C(C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1)N(Cc1ccccc1)C1CC1 769466042 GOASSZXXMQHOQW-UHFFFAOYSA-N 443.931 4.357 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773002337 ZJYCEXSMPOCIEN-IAGOWNOFSA-N 434.627 4.294 10 20 IICD C[C@H](NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1ccc(N2CCOCC2)cc1 775258495 BXCJLMILBWHDHL-IBGZPJMESA-N 427.564 4.140 10 20 IICD O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1 775655466 ZIYRYKOXIMBWTP-UHFFFAOYSA-N 442.716 4.193 10 20 IICD C[C@@H]1C[C@H](CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1 784379880 NCERTVBRLKYBOL-NXQWLJSCSA-N 438.640 4.051 10 20 IICD O=C(OCc1ccccc1)[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccccc1 786833355 FBZAHNPKNCNFLF-AREMUKBSSA-N 430.548 4.140 10 20 IICD C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CN(C(=O)OC(C)(C)C)C1 788611597 KOEMUZMLQGDXAV-NVXWUHKLSA-N 425.520 4.102 10 20 IICD O=C(NCCCSc1nccs1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 789092250 WHBWWVVOADFTJI-UHFFFAOYSA-N 446.623 4.008 10 20 IICD CS(=O)(=O)c1cc(CNCc2ccc(N3CCCCC3)cc2)cc(C(F)(F)F)c1 790602849 WHYHCTGMKSIKIW-UHFFFAOYSA-N 426.504 4.389 10 20 IICD Cc1cc(F)cc2c1CN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CC2 800705706 ZPTSWYZGTCQFBK-UHFFFAOYSA-N 433.474 4.472 10 20 IICD Cc1c(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)nnn1Cc1ccncc1 803029657 BJOVZTKNUZWPLG-GOSISDBHSA-N 427.508 4.139 10 20 IICD Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCC2 803677181 IBGOPHNSVNWYCG-OAQYLSRUSA-N 440.613 4.030 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 804332235 HXQWNKIOWBVRDZ-NRFANRHFSA-N 445.485 4.211 10 20 IICD C[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(N2CCOCC2)cc1 806613931 DKTYEARMEKCCIP-CQSZACIVSA-N 428.439 4.002 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 813591272 VOQWQJAQNBLIEJ-IYBDPMFKSA-N 444.507 4.082 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CC[C@@H](C)C2 825504548 PQLMRNVFIBCDGI-IAQYHMDHSA-N 430.501 4.253 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1C(N)=O 914791991 YNRFXWBLFREEQR-UHFFFAOYSA-N 448.378 4.387 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ncc(-c2ccccc2)s1 916671129 CDOGDFATBIRPQM-UHFFFAOYSA-N 426.517 4.232 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3c(OC)cccc3OC)CC2)cc1 918229111 XWSKCBRPUZAXBJ-UHFFFAOYSA-N 441.572 4.303 10 20 IICD CC(C)Oc1ccc(CC[C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918232877 VIEDIFXLOIMBHT-IBGZPJMESA-N 443.563 4.270 10 20 IICD CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 918993270 QCPQKRITSJPVBW-UHFFFAOYSA-N 431.945 4.216 10 20 IICD CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2cccnc2)cc1 28381443 GBAXOORNPBCUSP-UHFFFAOYSA-N 448.504 4.114 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 726856445 HTSQEVSOZBPSAQ-KRWDZBQOSA-N 441.597 4.230 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccccc1F 731107373 PWSQCHFPKFPKMU-LJQANCHMSA-N 430.520 4.043 10 20 IICD CC(C)n1cc([C@@H](C)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 732748524 MOQBYYDSZKBNCS-AYCSXLNKSA-N 448.639 4.384 10 20 IICD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742800245 POYUODOGNVCGSK-ZDUSSCGKSA-N 437.468 4.317 10 20 IICD CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 743045627 QXBWTGAJLVNYPT-UHFFFAOYSA-N 444.534 4.221 10 20 IICD COc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1NC(C)=O 743086909 DVJUIXYGMYFNEC-INIZCTEOSA-N 448.470 4.046 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1cccc(Cl)c1 745629886 KDNGGTITYDVIIU-UHFFFAOYSA-N 427.726 4.419 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)CC2)cc1 746744752 WMLOYHHAAZVFRG-UHFFFAOYSA-N 436.487 4.162 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@H](Oc2cccc(F)c2)C1 753155787 XCOMFRPDKXETFL-NRFANRHFSA-N 449.473 4.259 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cc(F)c1O 756409933 CGTZGNFLMXEXON-GFCCVEGCSA-N 439.300 4.388 10 20 IICD C[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)cc(F)c1O 756649716 ISJAYXGGQCEMRF-PBHICJAKSA-N 435.337 4.178 10 20 IICD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 759030800 ILMNVDBIFITIRV-GOSISDBHSA-N 435.568 4.213 10 20 IICD COCc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)cc1 761699298 GCGXKABIRWUUGP-UHFFFAOYSA-N 443.506 4.118 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 764200043 SMUWYBCZGOBCMK-UHFFFAOYSA-N 441.409 4.019 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)nc1-c1cccc(Cl)c1 764527709 QWASRZVNEKRIOW-UHFFFAOYSA-N 445.957 4.462 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3cccc(OCCN(C)C)c3)cc2F)C[C@@H](C)O1 765124561 BKQLIYCXBNPAGZ-ZCNNSNEGSA-N 429.580 4.231 10 20 IICD COc1ccccc1NC(=O)C[C@@H](C)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642568 DKLOHVUAFKKBHE-MRXNPFEDSA-N 433.499 4.272 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 765677049 DNOSCWONFFTGIH-AOYPEHQESA-N 432.612 4.483 10 20 IICD CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C 766093421 GFTPVFHEWRTHHT-UHFFFAOYSA-N 431.945 4.216 10 20 IICD CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 768822547 DDGJASWSIDXBFM-RTWAWAEBSA-N 425.331 4.059 10 20 IICD COc1ccc(COCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 772272996 QJGUPBNFVODJDK-UHFFFAOYSA-N 432.480 4.382 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)sc1Br 773744383 APYVTDFPUMVXKD-ZETCQYMHSA-N 435.137 4.045 10 20 IICD CCc1cnccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 779001470 FBODPONMPMYINS-GZTJUZNOSA-N 431.608 4.003 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 779473133 IFFNPJKWWQOPJY-PKNBQFBNSA-N 444.896 4.204 10 20 IICD C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1O 788646192 JVEHIBCJCIKUOC-OAHLLOKOSA-N 442.503 4.436 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccco4)nn3C(C)C)CC2)cc1F 788836851 RPIDQTDHTPQJQV-UHFFFAOYSA-N 427.480 4.226 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N(CCO)Cc1cccnc1Cl 797383748 AOCMXECLPHCZCY-UHFFFAOYSA-N 437.887 4.110 10 20 IICD COc1ccccc1-n1nccc1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O 797397866 HTKSFMXGNHGCTG-ODLFYWEKSA-N 437.502 4.015 10 20 IICD Cc1nn(C)c(Br)c1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800974637 ODIWHULZJYFZPY-LBPRGKRZSA-N 439.785 4.311 10 20 IICD COCC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)CC1 802756117 BXQOKUKCIRYPGP-JOCHJYFZSA-N 449.599 4.252 10 20 IICD CC1(C)CC[C@H](COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)O1 803273559 YEBYTWUYMQFCOI-WDGDVPDHSA-N 425.597 4.230 10 20 IICD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803662252 AEZRFMWFDJKRNX-GFCCVEGCSA-N 426.319 4.034 10 20 IICD CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 804331743 SHGNNYCRLGLBIK-OAQYLSRUSA-N 445.485 4.355 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3ccccc3Cl)cc2)CC1 805020052 OKXXYQWMPBJHKI-GOSISDBHSA-N 427.976 4.412 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 806457774 BNVQXMJOWDRBFV-OALUTQOASA-N 439.522 4.120 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 806847307 NFJJZBDTLQXTQG-UHFFFAOYSA-N 449.551 4.018 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 808353466 AKCGLSDDDGDMNB-IBGZPJMESA-N 430.552 4.041 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4ccc5c(c4)S(=O)(=O)N=C5Cl)CC3)c2c1 809349142 QVXOLHMDOGYCHB-UHFFFAOYSA-N 427.913 4.158 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C[C@@H]1CCOC1)C1CC1 812078332 WAYFLXRZZYWHQH-FQEVSTJZSA-N 435.572 4.004 10 20 IICD CCOCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)no1 812317518 VQTTYXDMKUDFAT-CYBMUJFWSA-N 447.333 4.267 10 20 IICD Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cs2)o1 917711376 GDCYNNLFYBUVRT-HOTGVXAUSA-N 443.544 4.323 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)nc3O)cc2F)C[C@@H](C)O1 917715823 WSHUXFMRTMJXSY-IAGOWNOFSA-N 435.499 4.137 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cc1 917753615 NFOBWJOVCAAMSB-UHFFFAOYSA-N 437.370 4.173 10 20 IICD O=C(COC(=O)CCS(=O)(=O)C1CCCC1)Nc1ccc(N=Nc2ccccc2)cc1 919334582 KDKLHXFQFACOOQ-UHFFFAOYSA-N 443.525 4.331 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C 920821813 CPSISESJMMZRFN-UHFFFAOYSA-N 426.542 4.202 10 20 IICD CC(C)OCCCn1c(-c2ccc(Br)cc2)cnc1SCCC(N)=O 923935663 DCWIHODQCYLTIX-UHFFFAOYSA-N 426.380 4.095 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1nn(-c2ccccc2F)cc1Br 1251877428 DSJOMIVVDFDWAC-UHFFFAOYSA-N 431.309 4.078 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)/C=C\c3cc(Cl)cc(Cl)c3)cc2)C1 1317900616 GIRIKPNCPUYWGO-AFCDSYGPSA-N 432.351 4.025 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccns2)cc1 1794875442 ZKQWXJGFZITRKX-NUZGMZIFSA-N 434.565 4.116 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C2CCSCC2)C3)cc1 1845399554 KVLGZYSQBASLAS-UHFFFAOYSA-N 437.609 4.054 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 109759770 JLYRSKIMBPPKCC-NHCUHLMSSA-N 429.358 4.048 10 20 IICD O=C(/C=C/c1ccccc1OC(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 303661789 DKXAKMAFBGZHQM-JXMROGBWSA-N 434.458 4.124 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)ccc21 481976356 VHEGSQSAJCMFTI-UHFFFAOYSA-N 447.579 4.461 10 20 IICD C[C@@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 726191098 UXCCRYLGRHIDQW-LJQANCHMSA-N 425.573 4.399 10 20 IICD CC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1 726244525 DMRWQAMNMJUAQO-XMSQKQJNSA-N 433.556 4.425 10 20 IICD CCCCOc1ncccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726708504 MUUOGNZMCLTZRK-UHFFFAOYSA-N 448.514 4.330 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c(C)n1-c1ccccn1 728537690 GLHJGAQZKRBHIB-GOSISDBHSA-N 439.357 4.260 10 20 IICD Cc1c(Br)cccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731131022 ATFNXRRMRYLOFD-UHFFFAOYSA-N 444.373 4.249 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4c([N+](=O)[O-])cc(CO)c(C)c4[N+](=O)[O-])CC3)c2c1 731975481 CAPNLERDIXCKJT-UHFFFAOYSA-N 438.440 4.087 10 20 IICD COc1ccnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 734911431 QGWILENGBRFHBY-UHFFFAOYSA-N 443.297 4.300 10 20 IICD CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)ccc21 735631450 NBOBTFJDEBPGTF-UHFFFAOYSA-N 441.491 4.380 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 737057037 NTJVRTKQUVMEFS-UHFFFAOYSA-N 445.567 4.156 10 20 IICD CCN(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C1CCC1 737587696 AQALKRDUBLYTKY-GDNBJRDFSA-N 439.400 4.051 10 20 IICD C[C@@H](NC(=O)Nc1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1 741396880 DFMBMRHBZIILFN-MRXNPFEDSA-N 425.920 4.245 10 20 IICD CCOc1ccccc1[C@@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(C)=O 743431431 STHLMYNNGFJIRW-JOCHJYFZSA-N 436.508 4.180 10 20 IICD Cc1ccccc1O[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 743555273 UQAIWPCTEPVBLA-QYZOEREBSA-N 429.536 4.014 10 20 IICD Cc1ccc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 745661585 JVXHNJXIDFVUOR-GJZGRUSLSA-N 431.444 4.037 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)C2CC2)cc1 746991044 ZGUXGZPSMIGRBE-UHFFFAOYSA-N 434.565 4.369 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 747852217 CQOMOXBGFGQWGP-UHFFFAOYSA-N 438.914 4.060 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)cs2)cc1 751929968 DSCUHECWLBWJQG-GOSISDBHSA-N 445.903 4.071 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCOC1 752850480 LHSNLYQGDGMMCH-OAQYLSRUSA-N 432.572 4.003 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3ccccc3Cl)cc2F)C[C@@H](C)O1 753773284 XMTSXAQTUZCMDB-IXDOHACOSA-N 433.955 4.060 10 20 IICD CN1C(=O)c2cccc3c(S(=O)(=O)N(Cc4ccccc4O)C4CCCC4)ccc1c23 753834202 WGLXZNRVEFPUJP-UHFFFAOYSA-N 436.533 4.269 10 20 IICD COC(=O)c1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1Br 755506573 VNUQQCRZDPRWMQ-UHFFFAOYSA-N 432.318 4.158 10 20 IICD CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1 756434641 XKERFAYXBKSYNZ-JXFKEZNVSA-N 427.501 4.104 10 20 IICD C[C@@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O 757639253 NSJHHJADFBZPIG-RDTXWAMCSA-N 437.353 4.101 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c([nH]c5ccccc45)C3)cc2F)C[C@@H](C)O1 759285172 DOLJFRYNZKRFMN-CALCHBBNSA-N 436.531 4.189 10 20 IICD COc1cc(Br)cc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1O 769333118 PBGBIQVMNVVMKN-KRWDZBQOSA-N 444.272 4.338 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CCC(F)(F)F)CC1CC1 769965116 AJRJMKVMAFFTOZ-UHFFFAOYSA-N 448.488 4.059 10 20 IICD Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 773192703 KOAGRKXEYFOILL-QGZVFWFLSA-N 428.483 4.121 10 20 IICD CCCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1-c1cccc(C)c1 773581601 RHWSTXHOEATFJO-SFHVURJKSA-N 433.556 4.015 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cc(-c4cccnc4)nn3CCO)c2C)c1 775101427 VYRZODFVVHWWJH-UHFFFAOYSA-N 429.524 4.214 10 20 IICD COc1ccc(SC)c(OC)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 775664297 KFHBXJVBVFJUON-HUUCEWRRSA-N 448.560 4.108 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(N(C)C)cc1 776246717 TVLCSQREERNWRT-MRXNPFEDSA-N 448.489 4.000 10 20 IICD Cc1cc(Br)cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O 776254557 ZGWIBMVKDVJHPA-RTBURBONSA-N 439.781 4.278 10 20 IICD COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 777665748 QDXAIWKDWMJEJN-UHFFFAOYSA-N 437.568 4.152 10 20 IICD COc1cccc(O)c1CN(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 785991427 LMRDTOFKOOTIMJ-MRXNPFEDSA-N 436.346 4.353 10 20 IICD COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c(O)c1 794381427 NLANQZXXOAIKPL-WMZHIEFXSA-N 436.533 4.181 10 20 IICD CCC(=O)c1ccc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c([N+](=O)[O-])c1 795240419 CGTWWGPUEQFMJT-UHFFFAOYSA-N 433.464 4.010 10 20 IICD O=C(NCc1c(F)cccc1N1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 807413151 DGUONCLKSZYVPG-IBGZPJMESA-N 427.520 4.022 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 807670687 IONIAJFRXXWXKL-XMMPIXPASA-N 431.536 4.130 10 20 IICD Cc1cc(Br)cc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1O 809682547 SVTPKCVKIQFBPJ-UHFFFAOYSA-N 427.364 4.152 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 811823165 NFIZKABDQWZTHZ-UHFFFAOYSA-N 430.551 4.252 10 20 IICD COc1ccc(N2CCCN(Cn3[nH]c(/C=C/c4ccc(C)o4)nc3=S)CC2)cc1 917484880 JBGKXOCDQRDSSB-ZHACJKMWSA-N 425.558 4.191 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3Cl)cc2F)C[C@H](C)O1 917917954 KZEGRODWQBNTMA-STQMWFEESA-N 447.359 4.225 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(F)(F)F 919920036 JDDAGOJECCWACO-INIZCTEOSA-N 435.490 4.475 10 20 IICD Cc1cnc(O)n1-c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919978690 GCYVTOVOACNGDK-UHFFFAOYSA-N 430.508 4.388 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920866676 JQXNMFYRUOBXEO-DLBZAZTESA-N 446.389 4.277 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)ccc21 1115948678 UGVHRQVGXOMSRJ-QHCPKHFHSA-N 429.568 4.191 10 20 IICD Cc1ncnc(O)c1CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 1317863866 VZFKNYSSZNXVEQ-UHFFFAOYSA-N 445.878 4.049 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3ccc(C(N)=O)cc3)cc2Cl)C1 1321384346 QXTNROQWUWPHNN-INIZCTEOSA-N 428.964 4.017 10 20 IICD Cc1cccc2c(=O)n(CCc3nnc(-c4cc(C)n(-c5ccccc5)c4C)o3)cnc12 1322093272 KLJYXBRZQAPBEZ-UHFFFAOYSA-N 425.492 4.405 10 20 IICD CC(C)n1ncc2c1[C@H](NC(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 1342638960 RSFMJNFQKKFCBK-FXAWDEMLSA-N 447.530 4.411 10 20 IICD Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)s1 1800715592 HUAKXTFUJYZBEC-MUJYYYPQSA-N 448.972 4.006 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccnc2Cl)C3)cc1 1845397720 JUYMJWBIXDVRPZ-UHFFFAOYSA-N 448.954 4.273 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)c(OC)c1 108006125 PWCBXOQXKNWTNU-JOCHJYFZSA-N 441.597 4.304 10 20 IICD CCOc1cccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1O 236933316 GFTOKDNPEGVCQX-JOCHJYFZSA-N 447.503 4.352 10 20 IICD Cc1cc(-c2nc(-c3ccccc3Cn3cccn3)no2)ccc1NC(=O)C1=S=CC=C1 546296181 WMNCTQWPAFGNAR-UHFFFAOYSA-N 441.516 4.173 10 20 IICD COc1ccc2c(ccn2CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726567529 LGXJSDVZBYFBGX-UHFFFAOYSA-N 429.467 4.037 10 20 IICD CCOc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 728122360 JDPULSMPUWLNNG-UHFFFAOYSA-N 434.334 4.006 10 20 IICD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 729176196 NWEGIYGJPNZPFV-UHFFFAOYSA-N 429.586 4.350 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(Cc4ccccc4F)s3)CC2)cc1 731117735 ZXTPBDWIEXSRLS-UHFFFAOYSA-N 441.532 4.021 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 731281887 AFNWRCYNMZKIJO-LJQANCHMSA-N 438.572 4.331 10 20 IICD Cc1ccc(F)c2c1N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CCC2 731330031 XVRJLSGCBSECHM-UHFFFAOYSA-N 444.418 4.411 10 20 IICD O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 734280768 PVRQOTNMGLNEHC-ZEQRLZLVSA-N 437.584 4.310 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(N(C)C)c(Cl)c3)cc2F)C[C@@H](C)O1 738935309 RVPKNCBACDYIPY-HUUCEWRRSA-N 434.943 4.480 10 20 IICD Cc1ccc(Br)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 741910613 WZFRSRGLYGAWMR-HUUCEWRRSA-N 435.337 4.440 10 20 IICD CCCOc1ccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 742558071 ZYVUQQWKFULPKW-KDURUIRLSA-N 428.548 4.477 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ncsc3c2)NC(=O)OC(C)(C)C)cc1 742750182 AXOQTQSCLGOUGT-LJQANCHMSA-N 440.569 4.358 10 20 IICD CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742798547 PJDVQFALNBLFLF-FUHWJXTLSA-N 432.467 4.043 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 743045565 PCOBSCUEOIQTOU-UHFFFAOYSA-N 444.868 4.329 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)ccc21 743900376 IHHFJROWWPDFQD-UHFFFAOYSA-N 436.581 4.231 10 20 IICD Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc(N4CCSCC4)cc3)[nH]c2c1 747298367 UYAKDGYKOHKMPO-QFIPXVFZSA-N 435.597 4.471 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2nc(CSC)no2)cc1 747410239 KLOAYHAEVYGYJT-UHFFFAOYSA-N 440.569 4.173 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccn(-c4ccccc4Cl)n3)cc2F)C[C@@H](C)O1 747643063 VBTDAJXITHETJU-HZPDHXFCSA-N 442.922 4.208 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 751307646 YPHVQHHBULHICA-NBGIEHNGSA-N 435.612 4.491 10 20 IICD Cc1cc(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(C)n1-c1cccc(F)c1 752568227 OMZVBTXCCFMESF-UHFFFAOYSA-N 432.354 4.459 10 20 IICD C[C@H](NC(=O)Nc1cc(F)c(Br)cc1F)c1ccc(N2CCOCC2)cc1 753321041 HZMODQMNDZJNND-LBPRGKRZSA-N 440.288 4.447 10 20 IICD CCC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756515979 OYRVABKAZCZPES-JTSKRJEESA-N 439.556 4.237 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cc(Br)c(F)cc3O)C2)c1 756637941 MRFVHZVBDSBJRG-CHWSQXEVSA-N 439.325 4.241 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)NCc2cccc(Br)c2O)cc1 764782034 ZBEGDKUAYRZJOS-ZDUSSCGKSA-N 439.375 4.454 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 764799978 OJJMOBACHDIVPU-GFCCVEGCSA-N 442.716 4.025 10 20 IICD OC1CCN(c2ccc(CN[C@H]3CCc4c(F)cc(Br)cc43)cc2F)CC1 765288627 YUYCYMCWUZUFLJ-FQEVSTJZSA-N 437.328 4.466 10 20 IICD COc1cccc(NC(=O)C[C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 765645913 XNVKHOCGSHVBDE-INIZCTEOSA-N 433.499 4.272 10 20 IICD CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[C@@H]1NC(=O)OC(C)(C)C 769482330 CKXONPINROXOTE-BBRMVZONSA-N 443.382 4.289 10 20 IICD CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 769554643 CIOBCCLPPNGBPS-QGZVFWFLSA-N 431.537 4.334 10 20 IICD COc1ccc([C@H](NCc2cccc(Cl)c2O)c2cccc(S(C)(=O)=O)c2)cc1 776221813 UMLSEQOCFPYNIS-NRFANRHFSA-N 431.941 4.337 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786362739 VJDRMWJRCPYECR-UHFFFAOYSA-N 439.990 4.213 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(Cl)c3Cl)cc2)CC1 786943754 KMKNYHCRAZOJLJ-UHFFFAOYSA-N 434.367 4.162 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(Cl)cc3-n3cccn3)CC2)cc1 788310838 ZQSAVYFCAUPPLO-UHFFFAOYSA-N 425.920 4.279 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 788544109 AMWMQJXHJQZYSA-UHFFFAOYSA-N 431.378 4.301 10 20 IICD CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc2c1C 788842282 POMBVTDSJOQGDT-UHFFFAOYSA-N 443.506 4.237 10 20 IICD COc1cc(Br)cc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1O 789766871 BJPASXVCLGJYFM-ZDUSSCGKSA-N 435.318 4.313 10 20 IICD Cc1nc2ccccc2n1C1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 792852064 IPDWWVSKNBFCNF-IBGZPJMESA-N 447.583 4.289 10 20 IICD COC(=O)c1nc([C@H]2CCCN2Cc2cc(Br)cc(C)c2O)sc1C 793236482 UIZSPQKLIAOKFZ-CQSZACIVSA-N 425.348 4.352 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl 806845407 MQDRQZTVYYDOQX-AVRDEDQJSA-N 444.959 4.067 10 20 IICD CC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1 807444114 FKUIAYBRGWWXPH-NRFANRHFSA-N 427.545 4.085 10 20 IICD Cc1cc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 807896069 VBVBZFLDGOEHTR-GOSISDBHSA-N 439.943 4.488 10 20 IICD C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 809337517 FMPIFXFTJCTUTO-NIXLBJMFSA-N 444.603 4.368 10 20 IICD C[C@@H](NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(N(C)C)cc1 811905411 CVMYYZUSIIPKGP-WIYYLYMNSA-N 444.620 4.492 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCO1 812433429 OJNGPYOVMNTVAG-LJQANCHMSA-N 431.540 4.348 10 20 IICD CCC[C@H](C)C(=O)NCCN[C@@H](C)c1cc(Br)cc(Br)c1O 815632381 KZWUTBFZBKMKBT-QWRGUYRKSA-N 436.188 4.120 10 20 IICD COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F 857758889 URTVNPIUGNJCEY-IBGZPJMESA-N 427.564 4.304 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(C(=O)NCC(C)C)CC3)c2C)cc1 890933392 HKZZPWKNKJXWNA-UHFFFAOYSA-N 439.600 4.160 10 20 IICD COc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 914766758 QJOVRMUBUDGORC-UHFFFAOYSA-N 431.536 4.009 10 20 IICD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 915083744 JTUPVIRGTPANNV-UHFFFAOYSA-N 438.531 4.224 10 20 IICD CCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 915641102 IPBYVQRRDCXZLU-UHFFFAOYSA-N 440.588 4.048 10 20 IICD CC(C)[C@H](NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2c(c1)OCCO2 917073981 KYRLPPRJIUFJKH-SANMLTNESA-N 437.584 4.002 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3c3cccc(F)c3)cc2F)C[C@@H](C)O1 917087171 UCVWUTWXFHQRTC-IXFSTUDKSA-N 443.538 4.032 10 20 IICD CCCC(=O)NC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 917452301 QBBNEVCZDJHNIU-UHFFFAOYSA-N 434.536 4.355 10 20 IICD C[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 920869816 AOZWVSUCAMNVQQ-CQSZACIVSA-N 425.426 4.242 10 20 IICD COc1cscc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398751 ZFUPSIYNFHRUDA-UHFFFAOYSA-N 449.576 4.295 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(F)s2)cc1 1848273530 DRWJMKADOHHCFU-PMACEKPBSA-N 437.540 4.424 10 20 IICD Cc1c(CNC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)n(C)c2ccccc12 471219532 RJMJCTSWKUJHGT-MRXNPFEDSA-N 430.474 4.433 10 20 IICD Cc1cc(-c2nc(Cc3ccc4ccccc4n3)no2)ccc1NC(=O)C1=S=CC=C1 680688055 ICVJOBURLTXZCB-UHFFFAOYSA-N 426.501 4.400 10 20 IICD COc1ccc(N(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C(C)C)cc1F 725815818 BFBJPGWSGSVWAA-HXUWFJFHSA-N 430.520 4.430 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2F)CC1 730134255 VGDLICHKPMSAJY-UHFFFAOYSA-N 443.542 4.029 10 20 IICD C[C@H](OC(=O)[C@@H](C)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 738794016 WVYVVIYIDOOVHE-KBPBESRZSA-N 433.485 4.197 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cccc(-c4nc(C)cs4)c3)cc2F)CC1 739557116 WFSCQHRTEYSPBC-UHFFFAOYSA-N 438.572 4.330 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(Cl)c1SC(F)F 741097411 QHHJJAPRCZGMCN-UHFFFAOYSA-N 437.899 4.286 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ccccc3n2)NC(=O)OC(C)(C)C)cc1 742754937 SCXGTTLLVHFBBN-JOCHJYFZSA-N 434.540 4.297 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1 743142234 VOXLUHOBLFCYNL-AWEZNQCLSA-N 437.418 4.004 10 20 IICD COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1OC(F)F 743432333 JISZVAQTPNLEDM-UHFFFAOYSA-N 433.407 4.446 10 20 IICD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1c(O)ccc2c1CCCC2 743716090 HSSQZVMPEHQYJE-UHFFFAOYSA-N 430.504 4.110 10 20 IICD O=C1/C(=C/c2cc(Br)ccc2OC(F)F)NC(=S)N1Cc1ccccc1 746015312 QBHFDUHBKAFIDN-ZROIWOOFSA-N 439.281 4.308 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccc(Br)cc1 747194431 IUTXBRUJXJDALQ-OAHLLOKOSA-N 444.295 4.223 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cc(C)c(F)cc4F)cs3)cc21 749010482 OTDCRCXONBOCKT-UHFFFAOYSA-N 449.504 4.107 10 20 IICD Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OC(C)(C)C)c1 753856565 HBXKJINNKKNMHZ-UHFFFAOYSA-N 429.536 4.147 10 20 IICD Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCCc1ccc(O)c(O)c1 761646849 PDMAODRYXSOJIS-UHFFFAOYSA-N 434.471 4.463 10 20 IICD COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 765643886 KEEGXWJBGRLGSC-LPHOPBHVSA-N 433.955 4.254 10 20 IICD O[C@H](CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 769542950 DUTRVZHJHCWRDQ-HSZRJFAPSA-N 426.557 4.460 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(CC3CCOCC3)CC2)cc1 772146072 NWTVBDQGTRHMPR-UHFFFAOYSA-N 435.572 4.352 10 20 IICD C[C@@H](NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 774394309 DXWVNKQMXQHZOT-GDBMZVCRSA-N 442.909 4.096 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnn(CC(F)(F)F)c1 775139481 FQFQSMMAHDQRTQ-UHFFFAOYSA-N 444.416 4.223 10 20 IICD COc1ncc(/C=C\C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 775846766 AOFAPSLFRUOMKV-QXMHVHEDSA-N 447.470 4.261 10 20 IICD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 779513077 RSZOKZYVPMYRNS-OOYWPUHTSA-N 435.307 4.438 10 20 IICD COCCO[C@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 780490052 RBCQKYCUVWXRNG-INIZCTEOSA-N 443.927 4.365 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 781270802 PUJAWAHFFPGYQL-UHFFFAOYSA-N 442.541 4.018 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 783317060 UAGZXDMXHGFRNB-UHFFFAOYSA-N 444.526 4.007 10 20 IICD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)NCCCSc3nccs3)cc2)cs1 788463981 NHTCEYPPDMTXRF-CYBMUJFWSA-N 446.623 4.051 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3ccc4occc4c3)SC2=S)c1 794681498 SDUNCPACMYLUDM-WQRHYEAKSA-N 444.559 4.089 10 20 IICD CC[C@@H](Nc1cccc(N2C(=O)CCNC2=O)c1C)c1cc(Br)ccc1O 800499519 YELTWZQOAHPQJH-OAHLLOKOSA-N 432.318 4.473 10 20 IICD CC(C)Oc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)ccn1 800636630 LWYFZBOKKUXVCT-MRXNPFEDSA-N 444.963 4.013 10 20 IICD CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801918258 HPUKEBIHYWOWAY-INIZCTEOSA-N 443.498 4.051 10 20 IICD CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801977461 MRDAOVOMHBXYAJ-UHFFFAOYSA-N 446.530 4.296 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 802221754 HSCLAQXNYUEQBU-IBGZPJMESA-N 427.545 4.000 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CCCc3sccc32)cc1 804380651 BEBBDLCCGAYBQZ-OAQYLSRUSA-N 437.565 4.130 10 20 IICD O=S(=O)(Cc1cccc(Br)c1)NCc1cc(Cl)cc(Cl)c1O 805135193 PSPVUOMWBMECTM-UHFFFAOYSA-N 425.131 4.081 10 20 IICD Cc1ccc([C@@H](O)[C@@H](C)NCc2cc(Br)cc(Br)c2O)cc1 809702470 UOGRBFVKWACYBJ-BZNIZROVSA-N 429.152 4.437 10 20 IICD C[C@@H](NC(=O)Nc1nc(Sc2ccccc2)ns1)c1ccc(N2CCOCC2)cc1 809882069 QUTRZCDXMZSNBX-OAHLLOKOSA-N 441.582 4.409 10 20 IICD O=C1N=C(S[C@H]2CCN(C3CCOCC3)C2=O)S/C1=C\c1csc2ccccc12 814772138 OMBMTBLJBWTUTR-PBXDPIQXSA-N 444.603 4.385 10 20 IICD C[C@@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1O 815594633 UYFGSQSXLYIGMV-QGZVFWFLSA-N 435.490 4.191 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C[C@H](c3ccccc3)c3ncc[nH]3)cc2F)C[C@@H](C)O1 816890920 CEXUQIGCVSVUHX-LVCYWYKZSA-N 436.531 4.001 10 20 IICD C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)Cc1ccc(N2CCCCC2)cc1 857758332 FZSDUMUJWPOCLF-HSZRJFAPSA-N 448.655 4.278 10 20 IICD CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1C 914506166 HVSVEVQNEUVMAT-UHFFFAOYSA-N 445.629 4.142 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1F 915220506 RCSGNVCOKYEYKY-UHFFFAOYSA-N 430.429 4.360 10 20 IICD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 915329050 UXSFZULCHAGFDG-UHFFFAOYSA-N 433.560 4.242 10 20 IICD COc1cccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1OC(F)F 915852155 JKZVSQQTESKNKU-JLHYYAGUSA-N 431.482 4.143 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3ccc(Br)cc3)CC2)cc1 918079728 LORQFAHRUZEWFC-QGZVFWFLSA-N 446.389 4.311 10 20 IICD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 920252502 LDCMHEULRCQTJN-FOCLMDBBSA-N 441.531 4.206 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2cccc(C)c2c1Cl 1338287377 KFJNPMHPJBKCAC-ZDUSSCGKSA-N 433.913 4.179 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)c1 1338915295 IAWWHCQDUUOUPU-RDTXWAMCSA-N 447.373 4.430 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](C)Cc2ccco2)C3)cc1 1845399402 WLGPDRYFAYFTLQ-LJQANCHMSA-N 445.563 4.383 10 20 IICD COc1ccc(N2CCC(NC(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1 110355288 DZBCILYESKDLCX-UHFFFAOYSA-N 439.537 4.309 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2)CC1 303389501 OMOCSDNVYJLUHC-UHFFFAOYSA-N 434.584 4.027 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(Cc4ccc(OC)cc4)CC3)ccc21 484790298 LSMZTBSBCUUQPS-UHFFFAOYSA-N 449.595 4.261 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](Oc4ncccc4F)C3)ccc21 486596819 XDBSONDAXCEWGY-LJQANCHMSA-N 425.504 4.122 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 729259185 JQTKTMBCXATXFZ-UHFFFAOYSA-N 434.540 4.143 10 20 IICD CCn1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 730091908 VDGNHDALFDFIGD-QGZVFWFLSA-N 439.585 4.023 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc4ccccc4c3)cc2F)CC1 730133571 AOMDCZPYKNEZDX-UHFFFAOYSA-N 434.559 4.462 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CCCS(C)(=O)=O 731166370 VIPGHIIDEDIKBE-GOSISDBHSA-N 442.503 4.123 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1F 731398145 AOPFBSWPDQGZNS-NRFANRHFSA-N 428.508 4.111 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1cccc([N+](=O)[O-])c1 731564223 ROLITJLITOETCW-UHFFFAOYSA-N 425.466 4.224 10 20 IICD O=C(COc1ccccc1C(=O)NCCCSc1nccs1)Nc1ccccc1F 733880956 UVTSYPSSZVBNKX-UHFFFAOYSA-N 445.541 4.212 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1F 738415148 JVMJJQRQHJHIGD-JOCHJYFZSA-N 441.501 4.461 10 20 IICD CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1F 742046819 CBSGYGXIPHNXOI-UHFFFAOYSA-N 429.561 4.294 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCN1Cc1ccccc1 742798558 PMFCIWNOFFMEAK-KNQAVFIVSA-N 429.511 4.038 10 20 IICD COc1ccc2[nH]cc(CC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2c1 742798717 CLYPHYKSSZAETB-INIZCTEOSA-N 429.467 4.106 10 20 IICD COCCOCc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743107488 HZBZSUCKXYVLGB-LJQANCHMSA-N 449.498 4.242 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(N2CCCC2)cc1 745577483 IITHKBRQBMJKJT-UHFFFAOYSA-N 432.362 4.487 10 20 IICD Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc(N(C)C)c(F)c3)nc(O)c2c1C 746805029 HHNDBQBTNVEDLQ-ZDUSSCGKSA-N 448.589 4.157 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C2CCCCC2)no1 753000733 IQJGYHKYFWRFJG-QFBILLFUSA-N 428.533 4.275 10 20 IICD COc1cc([C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)ccc1OCCO 756457672 JVGOGMVOXYRBML-RYUDHWBXSA-N 428.298 4.085 10 20 IICD COc1cc([C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)ccc1OCCO 756458491 MXDNVYLRADXMPZ-NEPJUHHUSA-N 428.298 4.085 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cc(Br)c(F)cc3O)C2)c1 756637943 MRFVHZVBDSBJRG-QWHCGFSZSA-N 439.325 4.241 10 20 IICD Cc1ccc([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c(O)c1C 756770496 YALMJWSUELDCLC-FQEVSTJZSA-N 430.614 4.422 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 757550397 FJARPBGZFMKIPW-UHFFFAOYSA-N 446.525 4.415 10 20 IICD C[C@@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)cc(F)c1O 757639226 NSJHHJADFBZPIG-KDOFPFPSSA-N 437.353 4.101 10 20 IICD O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 761155401 DHMGIIBIAFWBRY-UHFFFAOYSA-N 449.885 4.375 10 20 IICD Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 765257817 ZTSNKWHEYVLHHQ-UZLBHIALSA-N 435.597 4.066 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)c(Cl)cc1Cl 765979536 LJPSKNNVWCIBDN-ZDUSSCGKSA-N 431.360 4.218 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2cccc(F)c2)CCOCC1 768916830 UWNMYOQBGVVNAU-NRFANRHFSA-N 446.950 4.014 10 20 IICD COc1cccc(O)c1CN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 769403098 DHEAKNGWRAIWGJ-KRWDZBQOSA-N 444.329 4.474 10 20 IICD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(OCc2ccccc2)c1 773858014 NTESTICVSSMMQY-LJQANCHMSA-N 431.536 4.456 10 20 IICD O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(N=Nc2ccccc2)cc1 779349017 UMYDOLYGTPZQLE-UHFFFAOYSA-N 428.408 4.359 10 20 IICD CCCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1 779508740 DNXSEKRORGYBMW-KONDSOJQSA-N 437.540 4.025 10 20 IICD O=C(COc1cccc2cccnc12)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 780956884 YJSZHWVHIZDXCX-KRWDZBQOSA-N 427.451 4.000 10 20 IICD Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OCC1CCCCC1 785296487 FUKUSRJYNQBYOM-QGZVFWFLSA-N 440.540 4.051 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nc(-c3cccc(F)c3)no2)cc1 787410580 LIQFIKQNDDUGLY-UHFFFAOYSA-N 449.486 4.447 10 20 IICD CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 787878327 NDFVJVOAZSYZLV-HXUWFJFHSA-N 437.584 4.300 10 20 IICD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 788933205 TZNGLDBHGRPUCN-UHFFFAOYSA-N 444.579 4.099 10 20 IICD COc1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c(O)c1 794370618 QVVKXVNFKCNBJB-UHFFFAOYSA-N 432.270 4.265 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)sc1C 799187355 PZHBQDPKGKSJBL-UHFFFAOYSA-N 434.568 4.267 10 20 IICD CCOc1c(OC)cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC 805028550 ISUPUQBPKZKPEW-UHFFFAOYSA-N 429.300 4.114 10 20 IICD CCc1cnccc1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807955016 KVEJHOLATZWNKO-IRXDYDNUSA-N 442.991 4.027 10 20 IICD COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2-c2cccc(C(F)(F)F)c2)cc1 808010286 RMZJYLMSRSHVEA-UHFFFAOYSA-N 435.427 4.212 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCN(c2ccccc2F)C1 810449516 HEGHAWCZQPROEO-DLBZAZTESA-N 433.474 4.039 10 20 IICD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC3 811686752 HSGPZNISKKZEAJ-UITAMQMPSA-N 432.219 4.254 10 20 IICD O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1c(-c2ccccn2)nc2ccccn12 820006099 ITZJWCXNCPSGAN-UHFFFAOYSA-N 440.290 4.072 10 20 IICD C[C@H](OC(=O)/C=C\c1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917951196 CEFJMCIRHRTJOX-PIZKADEWSA-N 431.469 4.107 10 20 IICD CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918213250 OBHAPDRPZSVZFP-IBGZPJMESA-N 425.573 4.243 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3N3CCCC3)cc2F)C[C@@H](C)O1 919907141 AHXZKCBGAFWRKL-RTBURBONSA-N 440.563 4.039 10 20 IICD CC(C)COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 920233930 FCNJFNKJZMVZLG-UHFFFAOYSA-N 426.517 4.049 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)C2CC2)cc1 1318193695 FFFLDAMHJHHXFN-UHFFFAOYSA-N 440.551 4.361 10 20 IICD Cn1cc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c(C(F)F)n1 1320466573 NCQMIHVBRYVCQA-UHFFFAOYSA-N 430.794 4.144 10 20 IICD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)no1 1787468152 YUHQVIDMRCSIFO-UHFFFAOYSA-N 441.871 4.109 10 20 IICD CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830741695 YULFGXJOGFPVIQ-MIGROESCSA-N 434.964 4.341 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C)nc4ccc(Br)cc34)CC2)cc1 32961473 HOHXHICUFUSZTR-UHFFFAOYSA-N 440.341 4.277 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 108430918 SBRHWDNFYBHXHY-UHFFFAOYSA-N 440.931 4.070 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 209433688 QJNMBSUZLSQADN-LICLKQGHSA-N 445.522 4.068 10 20 IICD COc1cc2nc(CN(Cc3ccccc3O)[C@H](C)c3ccccc3)[nH]c(=O)c2cc1OC 216483493 YDEQWHJUBAEEFA-QGZVFWFLSA-N 445.519 4.409 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1 261402542 HUUNKDYOSXBMQW-QHCPKHFHSA-N 445.567 4.032 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(NC(=O)C2CCCCC2)c1 302966073 RDGAMIITVLMIMH-UHFFFAOYSA-N 449.595 4.344 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2nc(C)c(Cl)c2C)cc1 303539915 YJGBVZAJCRPFPP-UHFFFAOYSA-N 426.948 4.461 10 20 IICD O=C(NCCCOc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726614401 SGWHWEATIUQVNV-UHFFFAOYSA-N 437.462 4.164 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1 727246070 JGLJHFOAAWCUIC-UHFFFAOYSA-N 428.944 4.421 10 20 IICD COc1cc(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc(OC)c1OC 731015385 WNDYTDWKTNFEFA-UHFFFAOYSA-N 426.557 4.198 10 20 IICD COc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OC(F)F 735332235 YFYLTWWGRBGARI-CHHVJCJISA-N 437.445 4.431 10 20 IICD O=C(c1c[nH]c2ccc(Br)cc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 735519108 OMCHEQCNHWIRGV-INIZCTEOSA-N 429.314 4.457 10 20 IICD COc1cc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCCC2)ccc1C 736196994 YBBZROBXMLLYSX-UHFFFAOYSA-N 436.596 4.341 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 742557972 YFJJRBFKZZVCSD-GVDBMIGSSA-N 430.495 4.104 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccsc3[nH]2)NC(=O)OC(C)(C)C)cc1 742751482 UUWGFBFYHUMJMX-GOSISDBHSA-N 428.558 4.291 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3ccccc23)NC(=O)OC(C)(C)C)cc1 742753601 KMMIJQSFKNYJDH-JOCHJYFZSA-N 434.540 4.297 10 20 IICD CN(c1ccc(CNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1)C1CCCCC1 743341992 YAUACASPGOWENW-UHFFFAOYSA-N 434.584 4.429 10 20 IICD COc1cccc(CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1O 745504177 PNANMXFHANQBOC-FQEVSTJZSA-N 434.471 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 745786144 GDLAEEUJIDKGAD-AWEZNQCLSA-N 449.345 4.436 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[C@@H]1c1ccccc1 746414570 QEZOOHNFVBAIAM-PFATUAPWSA-N 448.611 4.114 10 20 IICD COc1sc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1Br 746522387 KUOLLAXSAHRVKT-UKTHLTGXSA-N 441.397 4.358 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 753551865 CLLDGPANDJLEHM-UHFFFAOYSA-N 446.526 4.475 10 20 IICD C[C@H](NCCc1ccc(CO)cc1)c1cc(Br)cc(Br)c1O 756791355 SBCTVDMLNGSEIQ-NSHDSACASA-N 429.152 4.303 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(=Cc2ccccc2F)CC1 756924687 LJBMPUHZKCNRGW-UHFFFAOYSA-N 427.495 4.190 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1N[C@@H](C)c1cc(C(=O)OC)ccc1O 757618624 CYCJDQIACGFLIT-INIZCTEOSA-N 426.513 4.377 10 20 IICD COc1cccc(C2=CCN(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)C2)c1 758384873 UYGSNXULGQJBPL-QZTJIDSGSA-N 439.531 4.057 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)nc3)SC2=S)cc1 758415737 KSEJGUPUZHAFJG-QGOAFFKASA-N 439.562 4.264 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(N2CCc3sccc3C2)nc1 758550243 FNZJDCDNTKSHAS-UHFFFAOYSA-N 431.612 4.466 10 20 IICD C[C@@H](NC(=O)c1cc(Br)cc2cccnc12)c1ccc(N2CCOCC2)cc1 758720211 CVJDGFZJEADGNG-OAHLLOKOSA-N 440.341 4.325 10 20 IICD CC[C@H](C)n1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C1CC1 760381021 FSIBJRUVKQTRKJ-ULQDDVLXSA-N 428.552 4.414 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C\C3=S=C(C(F)(F)F)C=C3)nc(O)c2c1C 761476633 JCTYIMSANPUJOI-VMPITWQZSA-N 434.848 4.282 10 20 IICD O=C(Nc1ccc(C(F)(F)F)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 761916412 ZQESJFIYMMUBTC-UHFFFAOYSA-N 430.377 4.492 10 20 IICD O=C(CCc1nc(C2CCCC2)no1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 762184179 GECAXUDGCWFGOA-MRXNPFEDSA-N 434.487 4.046 10 20 IICD C[C@@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 762907219 JFVNZGGHSUIHGV-OAHLLOKOSA-N 443.594 4.045 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(N2CCOCC2)c1 765078659 UQRBOXPLFWLABW-SFHVURJKSA-N 449.517 4.229 10 20 IICD COCCOc1ccc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC 765126747 MQLYAABYBUGWJP-QRVBRYPASA-N 446.563 4.324 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)cc1 768886238 BRRUCPMNQRKTTR-QBFSEMIESA-N 428.963 4.294 10 20 IICD C[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 773024610 MNIXRVSHALNXIQ-WZQKQDCOSA-N 437.403 4.280 10 20 IICD Cn1nc(CCNCc2cc(Br)cc(Br)c2O)c2ccccc21 775982779 GKZUTMMABAXYOW-UHFFFAOYSA-N 439.151 4.136 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 777439059 GPJCGVYKHKNYGT-KRWDZBQOSA-N 445.126 4.150 10 20 IICD COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 782262649 RYWLITRIUYZVJJ-UHFFFAOYSA-N 448.453 4.390 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 786261879 GUPGSAROTCSSPX-UHFFFAOYSA-N 446.016 4.197 10 20 IICD Cc1cc(-c2csc(NC(=O)COCc3ccnn3C)n2)c(C)n1-c1ccc(F)cc1 790126211 JFOGUMVOTNQJTR-UHFFFAOYSA-N 439.516 4.246 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Br)cn1 793409172 BXVMGGHLICKPNU-YOEHRIQHSA-N 434.334 4.002 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1Cc1ccccc1F 801809003 XSTWPOVRPNBZNB-UHFFFAOYSA-N 436.535 4.332 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1nc2c(s1)CSCC2)c1ccc(N)cc1 807002823 QGXSQIMAPWXSKC-AWEZNQCLSA-N 438.578 4.248 10 20 IICD COc1ccc2nc(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2c1 809783411 BTFHBKXHZIECDO-QHCPKHFHSA-N 433.552 4.439 10 20 IICD C[C@@H]1CN(c2ccc(CNCc3cn4ccc(Br)cc4n3)cc2F)C[C@@H](C)O1 810131643 NMDYGUGYXBCWGD-HUUCEWRRSA-N 447.352 4.139 10 20 IICD CN(Cc1ccccc1O)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccccc1 812046704 PDDSXQSKXHDRMV-QHCPKHFHSA-N 428.492 4.181 10 20 IICD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 812564718 YHGCLPFCEGJPQZ-XUZZJYLKSA-N 436.552 4.177 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1C(N)=O 914789485 AISBFTDKYWLGBJ-UHFFFAOYSA-N 429.567 4.316 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)ccc3C)n2)cc1 917906829 KQMLPVTWPSXXDR-UHFFFAOYSA-N 432.523 4.105 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1 918222823 XMXZVUJACQJIDL-XQBPLPMBSA-N 425.548 4.356 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 918428935 CUSUZTLPRYBLQP-UHFFFAOYSA-N 445.563 4.387 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 918633876 PYXPSGIANNWQSQ-HZPDHXFCSA-N 432.923 4.372 10 20 IICD COc1cccc(-c2nc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)cs2)c1 920473778 WXXRLQCKLILMRT-BOPFTXTBSA-N 431.608 4.114 10 20 IICD Cc1ccn(-c2cccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)n1 1323282060 GQUJCXMHQPABOY-GOSISDBHSA-N 426.467 4.181 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O 46719486 ZFNXEDHZOCSFOK-UHFFFAOYSA-N 446.576 4.051 10 20 IICD O=C1CNC(=O)N1CCCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 71964993 LUQCAHUQTJMNGE-UHFFFAOYSA-N 440.956 4.286 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(NCc3ccc(N4CCCCC4)cc3)CC2)cc1 237093537 WPXCJHBHLHGFKY-UHFFFAOYSA-N 441.641 4.229 10 20 IICD CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303234488 ZFSNOUYDMYUUFR-XMMPIXPASA-N 426.626 4.470 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1 303746736 GGJRRCWDJKQXDW-UHFFFAOYSA-N 445.401 4.252 10 20 IICD CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486075759 PYLXEMSGHBTBLO-UWJYYQICSA-N 427.589 4.062 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3cccc(N4CCCC4=O)c3)ccc21 728636874 DIIWXXBDKNVXKL-UHFFFAOYSA-N 448.519 4.071 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 728979371 FWWZSIKVCKAFAV-QGZVFWFLSA-N 431.492 4.207 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1OCC 730133218 MEJDWDLKARMQCO-UHFFFAOYSA-N 444.551 4.087 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(Br)cc2Br)c1 734059431 XPNQGLWSOBXTPW-UHFFFAOYSA-N 430.096 4.248 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)NC(=O)OC(C)(C)C)cc1 742752298 FVMWOXDPJCKWNH-FQEVSTJZSA-N 447.963 4.167 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Br)c(F)c1 743211423 YZUJRHXPDGBAIM-UHFFFAOYSA-N 440.288 4.010 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 745627085 MOVHAUXVWCHZJP-UHFFFAOYSA-N 447.457 4.079 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H](CCCO)c1ccccc1 745837779 JOBTYDZRCXBCQV-WIYYLYMNSA-N 433.499 4.070 10 20 IICD CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903064 BOZWSTPMNPOWIJ-OAHLLOKOSA-N 425.426 4.377 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](OC1CCOCC1)c1ccccc1 747417533 TUKKCQZNARFRJE-CPJSRVTESA-N 435.568 4.187 10 20 IICD Cc1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1-c1ccccc1C(C)C 749572788 KYGWSPJZWULVNV-UHFFFAOYSA-N 435.597 4.182 10 20 IICD CSCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 751060618 MFFXIWCNKVRVFP-UHFFFAOYSA-N 434.564 4.370 10 20 IICD Cc1cc2cc(NC(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)ccc2[nH]1 751065246 OOTYCWCKWJIOKY-UHFFFAOYSA-N 427.507 4.297 10 20 IICD C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751066875 NPQMAPMODOFKBW-WBVHZDCISA-N 442.562 4.273 10 20 IICD Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 753711555 SDOJGIMYHUTWHJ-UHFFFAOYSA-N 448.610 4.157 10 20 IICD C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)cc(F)c1O 756355112 NDQHXPWWHQHMKI-BLLLJJGKSA-N 429.355 4.079 10 20 IICD C[C@@H](NCc1ccccc1N1CCOCC1)c1cc(Br)cc(Cl)c1O 756483562 UCVKYOGEMWPLOI-CYBMUJFWSA-N 425.754 4.496 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)ccc1Cl 757499454 FOHQAKXOMAOUNG-UHFFFAOYSA-N 444.868 4.329 10 20 IICD CCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(OCCC)c1 758439294 YLEFZJJJMPZXJF-UHFFFAOYSA-N 439.556 4.218 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC(F)F)cc1)C1CCCCC1 762439539 ZHDHXYIEXFLSHR-UHFFFAOYSA-N 445.510 4.354 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2C[S@@](C)=O)cc1 762922229 ZWTWDGVNVOBYKC-SSEXGKCCSA-N 425.554 4.458 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763996693 FZISOBZUNZCPOD-UHFFFAOYSA-N 441.553 4.396 10 20 IICD CC[C@H](Cc1cccs1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765280960 MBXUAUNZVVFPSA-LJQANCHMSA-N 425.577 4.115 10 20 IICD C[C@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(N2CCOCC2)cc1 765669500 MFRYYNKFTLGETK-UUOWRZLLSA-N 434.515 4.207 10 20 IICD CCOc1ccc(OCC)c(NC(=S)NCc2cccc(Br)c2O)c1 765993371 WIAZMTHQFLCZOZ-UHFFFAOYSA-N 425.348 4.439 10 20 IICD COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 765994831 RZDXMAOMCQRTLS-OXJNMPFZSA-N 431.964 4.026 10 20 IICD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(N2CCOCC2)c(F)c1 769492422 JXAYHJBZDRUZTC-IHWFROFDSA-N 433.568 4.073 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc(Cc2ccccc2F)s1 773614082 YXKMCNMJJZCPBV-UHFFFAOYSA-N 448.903 4.047 10 20 IICD C[C@@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 775253739 DLFRHJBWEVBYRM-HXUWFJFHSA-N 443.547 4.044 10 20 IICD COc1cc(O)c(CNCc2cc(Br)ccc2Br)cc1OC 776018450 WJJDQOKHCJJOKK-UHFFFAOYSA-N 431.124 4.224 10 20 IICD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 776743918 MZJFUVUGKOONJE-UHFFFAOYSA-N 427.463 4.378 10 20 IICD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 779475764 QWUSXBOCIMUXFZ-HLZSCNFSSA-N 437.517 4.364 10 20 IICD Cc1c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cnn1-c1ccccc1 783484513 DPGNVSJKRMGYPS-GOSISDBHSA-N 439.519 4.496 10 20 IICD CCCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1-c1cccc(F)c1 783919751 LGXLQUOGBNVVBU-UHFFFAOYSA-N 436.531 4.325 10 20 IICD C[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(Br)ccc1O 786980336 RKCKUJHQNCPJOE-KZULUSFZSA-N 439.300 4.275 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(OCCC(C)C)c1 790654412 FHGFSHVIBOMNIP-UHFFFAOYSA-N 440.584 4.259 10 20 IICD Cc1nc2ccc(Br)cn2c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 792986732 POODQTAHRHGTEH-UHFFFAOYSA-N 427.346 4.276 10 20 IICD CC(C)c1ncc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 794411166 BMMYLOAMLBYFCG-OQLLNIDSSA-N 432.596 4.282 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2cc(F)cc(Br)c2)CC1 794852122 DIEQLVSWVSXMEP-UHFFFAOYSA-N 447.348 4.115 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c(O)c1 797390294 TUKNTIRQZIMVOO-UHFFFAOYSA-N 442.924 4.460 10 20 IICD COc1ccc(CNC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c(O)c1 797635662 CGECQPQINDXEBD-UHFFFAOYSA-N 445.273 4.067 10 20 IICD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 798301039 MJCDJJJPFVKKNP-IBGZPJMESA-N 433.464 4.184 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(O[C@@H]4CCOC4)CC3)cc2Cl)C1 799995156 YXAPUFVFBSXGKO-FXAWDEMLSA-N 435.996 4.056 10 20 IICD CC(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)Oc2ccccc21 800048563 FGJPORAYJAVPIB-MWTRTKDXSA-N 441.959 4.007 10 20 IICD COc1cc(OC)cc(C2(F)CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1 802659166 FFQMWJPMEBHTKO-UHFFFAOYSA-N 432.511 4.140 10 20 IICD Cc1cc(C(=O)N[C@@H](c2nncn2C)C(C)C)c(C)n1-c1ccccc1Br 804261612 RAJXZYZYCISMQM-GOSISDBHSA-N 430.350 4.112 10 20 IICD C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](c1ccccc1)N(C)C 806685041 NWOLPOKQXRUVQC-JTSKRJEESA-N 446.542 4.247 10 20 IICD O=S(=O)(Cc1cccc(Cl)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 808288506 RLXSJLUZBYITFP-UHFFFAOYSA-N 430.904 4.030 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 816940769 MJSMDOZLXZRMPF-SFHVURJKSA-N 428.330 4.449 10 20 IICD C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 857758398 GHMKCTWUDHQIOQ-NHCUHLMSSA-N 431.580 4.374 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl 861937327 ZIHYWKCYVJSJKU-UHFFFAOYSA-N 439.984 4.278 10 20 IICD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1[N+](=O)[O-] 914455400 ZNCBGWQZWDHXHM-UHFFFAOYSA-N 438.440 4.313 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Br)cc1 916456948 ZCXUDQOFMKLOTC-UHFFFAOYSA-N 443.263 4.235 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 918135202 ORAQBVXEGXJYIN-UHFFFAOYSA-N 448.567 4.397 10 20 IICD O=C(Nc1ccc2c(c1)oc1ccccc12)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295964 UUMLYQPMEXUOIS-IBGZPJMESA-N 444.487 4.438 10 20 IICD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918432722 ZMIFUBPNXJQKFN-HNNXBMFYSA-N 433.434 4.041 10 20 IICD Cc1cc(CC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccc(Cl)cc1 918697091 KRUUHYBBOALUEJ-INIZCTEOSA-N 427.898 4.290 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3nc(Cc4nnc(S)n4C)cs3)c2C)c1 920769126 PRGSHKMMHIQOEY-UHFFFAOYSA-N 438.582 4.119 10 20 IICD Cc1cc(-c2nnc(-c3ccc(S(=O)(=O)NC4CC4)cc3)o2)c(C)n1-c1ccccc1 1117160913 LVYMXGITFJUSOT-UHFFFAOYSA-N 434.521 4.252 10 20 IICD O=S(=O)(Nc1ccccc1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 1337725996 JTQUPGGXVNLCNB-UHFFFAOYSA-N 441.528 4.075 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCO3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790774740 QLFGJRASKITDQY-LJQANCHMSA-N 444.915 4.068 10 20 IICD O=C(NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1)c1cc(O)nc(O)c1 1791978672 MDXCEYOTNUTZAT-UHFFFAOYSA-N 435.524 4.211 10 20 IICD Cc1ccc(OCCC(=O)NCc2ccc(N3CCSCC3)cc2)c(Br)c1 195717128 XBCMWZRDLAJUFF-UHFFFAOYSA-N 449.414 4.396 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)ccc21 513746933 GRNPUTJNJWFBJY-UHFFFAOYSA-N 449.551 4.101 10 20 IICD C[C@H](CCc1ccc(O)cc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610591 LUMIMWQPENDFNO-MRXNPFEDSA-N 433.499 4.283 10 20 IICD Cc1nc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc2ccccc12 726618970 HPUCEEKPEPBHPH-UHFFFAOYSA-N 441.482 4.008 10 20 IICD O=C(Nc1nnc(-c2ccco2)s1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726696426 UVXSNMFFFJRABE-UHFFFAOYSA-N 435.456 4.190 10 20 IICD O=C(NC[C@H]1CCOc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731223655 PAHXWAOMOFDTRA-MRXNPFEDSA-N 431.483 4.122 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1F 731363337 DHKLQWPRKGVHMP-IBGZPJMESA-N 427.442 4.224 10 20 IICD O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731858413 KZPYIDAJFNDNFI-SLFFLAALSA-N 430.342 4.466 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 732242579 ZFVUDYVRBKJQQB-OAHLLOKOSA-N 439.453 4.112 10 20 IICD Cc1ccc(OCc2nc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)cc1 733325324 IWWUVNFGCDMJBT-UHFFFAOYSA-N 441.572 4.421 10 20 IICD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 735326158 MRDRJLHIEQWXMG-OAQYLSRUSA-N 442.604 4.156 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1 737079263 LOKYWBWROPYCLJ-UHFFFAOYSA-N 437.927 4.240 10 20 IICD COc1cc(N(C)Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)cc(OC)c1OC 741807524 VXJWPKYUQWIKAS-UHFFFAOYSA-N 436.468 4.362 10 20 IICD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 743102102 ZUJHLAAYFIBBDD-UHFFFAOYSA-N 435.446 4.193 10 20 IICD CCCC[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)Nc1cc(C)on1 743485758 UVTXZNUFPCKFBU-APWZRJJASA-N 436.503 4.340 10 20 IICD C[C@@H]1CCCCN1CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743547238 BUHZGLTYJRTMBM-MOPGFXCFSA-N 438.563 4.211 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Oc1ccc(F)cc1 745891569 DFLBITHXMMEEPL-ZDUSSCGKSA-N 425.298 4.293 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)n1-c1ccc(Cl)cc1 745970467 OBIQVALQSYJKCG-UHFFFAOYSA-N 436.943 4.177 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3CC(=O)OC(C)(C)C)CC2)cc1 746034912 CMKJKJJVUJGCOI-UHFFFAOYSA-N 439.556 4.370 10 20 IICD CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751930290 CJRKFEXQOBUVTQ-UHFFFAOYSA-N 437.565 4.220 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1 752147809 BWMNXSMQZMGRBJ-UHFFFAOYSA-N 425.573 4.228 10 20 IICD O=C(O)[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(-c2ccccc2)cc1 756306076 HDPQNZCGMYLXDZ-DEOSSOPVSA-N 448.538 4.362 10 20 IICD C[C@@H](NC[C@](C)(O)c1ccccc1)c1cc(Br)cc(Br)c1O 756573775 RFOGHZUUCCEPCW-DIFFPNOSSA-N 429.152 4.476 10 20 IICD COc1ccc(-c2csc(NC(=O)CN(C)c3ccc(OC)c(F)c3)n2)c(OC)c1 757851220 FJNPRWAYSAGYGR-UHFFFAOYSA-N 431.489 4.050 10 20 IICD COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 766238003 NUIWWVKTWDUYTL-WMZOPIPTSA-N 433.499 4.272 10 20 IICD COc1ccc2c(c1)CCCCN2Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 766273400 XOKQXHMNGZNFCB-UHFFFAOYSA-N 425.485 4.114 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CCC3CCCC3)cc2)C1 769037860 OQPISZQZUHCYPP-FYYLOGMGSA-N 426.605 4.033 10 20 IICD C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770382466 TXBIFNZOHLUVKP-MJGOQNOKSA-N 432.565 4.463 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(Cc4nncn4-c4ccccc4)no3)ccc21 771781619 HKNIHHXREGLXEG-UHFFFAOYSA-N 428.496 4.126 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 772999120 LIAWSCAVWYHZMP-QRWLVFNGSA-N 434.005 4.135 10 20 IICD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773847080 NOUDQVRPIDUWFI-GOSISDBHSA-N 447.583 4.360 10 20 IICD Oc1c(F)cc(Cl)cc1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 776021339 OYOGDCGFTDPZDH-UHFFFAOYSA-N 444.913 4.335 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 776507213 RPUDVRXNPLKAGA-RXVVDRJESA-N 430.593 4.264 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 784026771 ZYDAZQKACQEVBK-UHFFFAOYSA-N 440.521 4.161 10 20 IICD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 786438295 XULZFVUOYXCXQE-MRXNPFEDSA-N 449.301 4.193 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1 799636783 YQJIBPBSPMVCLP-UHFFFAOYSA-N 433.580 4.035 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)CC1 805024240 DDRCOHQEXAZQMS-UHFFFAOYSA-N 445.563 4.361 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Cl)ccc1OC[C@@H]1CCCO1 809695551 OKVSBGKCHZVPEI-SFHVURJKSA-N 439.961 4.063 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815527117 RGRCTNFBDYWKPQ-UHFFFAOYSA-N 442.821 4.078 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 914577336 UHYKKNZSTGYQOO-UHFFFAOYSA-N 444.868 4.329 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1C 915220184 IKLMKTRMVVMYDI-UHFFFAOYSA-N 434.539 4.335 10 20 IICD Nn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1-c1ccccn1 916663611 BICLDIKNCLUTLV-UHFFFAOYSA-N 430.497 4.200 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)C2CC2)cc1 918106531 RRGRGJSDXKOWFG-UHFFFAOYSA-N 443.551 4.274 10 20 IICD Cc1ccc(OCCCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918207823 JSGJTCXTTCMMDK-WOJBJXKFSA-N 443.563 4.406 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3scnc3Cl)c2C)cc1 919414784 KVAMMGKOYOQVAM-UHFFFAOYSA-N 432.885 4.030 10 20 IICD Cc1ccc(C)n1-c1sccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971079 NCLXJMOOEZJIRM-UHFFFAOYSA-N 427.545 4.186 10 20 IICD C[C@@H](NC(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccc(N2CCOCC2)cc1 920870734 BPYMLRKMHIVPHS-MRXNPFEDSA-N 425.920 4.245 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1 1115988669 MRCMQTARJLKURM-UHFFFAOYSA-N 443.473 4.415 10 20 IICD CN(C)c1ccc([C@@H](CNCc2ncc(-c3ccccc3)[nH]2)NC(=O)OC(C)(C)C)cc1 1329947891 PXNDXMAADKUGOZ-OAQYLSRUSA-N 435.572 4.498 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(F)cc2)C3)cc1 1845398984 ADXMOXANEORIFK-UHFFFAOYSA-N 431.511 4.364 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CN3CCN(C)CC3)c3ccccc3)c2C)c1 110692541 VVQIGIOPVVSEMU-AREMUKBSSA-N 430.596 4.121 10 20 IICD CCCCNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 484704374 HBMRDOLIYLOALN-UHFFFAOYSA-N 435.568 4.364 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)CC2)cc1 726144587 QVKHIFNHKMWBPH-UHFFFAOYSA-N 446.507 4.163 10 20 IICD O=C1/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1CCc1ccccn1 726196950 HSFQZFKVVVYCSR-QIYXJHPLSA-N 426.563 4.083 10 20 IICD C[C@H](NC(=O)N[C@H](C)Cc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 726243240 IEMCGYYOXKWSMU-SJORKVTESA-N 446.389 4.277 10 20 IICD CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 726248579 ZNHHSXMKMYTNSK-OAQYLSRUSA-N 428.621 4.149 10 20 IICD COc1cccc(CNC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)c1O 729859727 XQMPYPXTEOBKHF-UHFFFAOYSA-N 435.311 4.342 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCCCC4)c3)cc2)CC1 731132250 WUQAUDWOYXYJDG-UHFFFAOYSA-N 434.584 4.168 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 732730327 SFKINNFYAPMPKK-UHFFFAOYSA-N 432.590 4.285 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(OC(F)F)c1 734097152 ZNMKSSFGXICBHK-OVCLIPMQSA-N 437.445 4.401 10 20 IICD O=C1/C(=C\c2csc(-c3ccccn3)n2)SC(=S)N1c1ccc2c(c1)OCO2 735328858 GBEJNRYVCJZYTG-FRKPEAEDSA-N 425.516 4.340 10 20 IICD CC[C@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c2ccccc2O1 741998730 SOIUHWPMIFRMKA-AWEZNQCLSA-N 442.427 4.188 10 20 IICD CN1CCCc2cc(CNC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)ccc21 742057606 CHLUGBDWWISCHO-UHFFFAOYSA-N 426.870 4.255 10 20 IICD COc1ccc(C[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 743565029 RYNAOTRXLFFRID-IRLDBZIGSA-N 437.584 4.257 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cc1F 747752458 VLHCYUWUAFFDIR-UHFFFAOYSA-N 445.416 4.231 10 20 IICD Cc1ccc(C(=O)NCc2ccccc2O)cc1S(=O)(=O)Nc1cccc(Cl)c1 748349284 FAXKVUQEMFVHRX-UHFFFAOYSA-N 430.913 4.085 10 20 IICD CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(C(F)(F)F)cc1C=O 752088165 KECNAKLKKIVNGG-UHFFFAOYSA-N 446.425 4.482 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 758717949 KNWDDEGVPZPQNF-NRFANRHFSA-N 431.483 4.171 10 20 IICD O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 759581849 WPMNKWYSIQZKHY-XWIHAQEXSA-N 437.879 4.213 10 20 IICD COc1cc(N2CCN(Cc3cnc(-c4ccc(C)cc4)s3)CC2)cc(OC)c1OC 761220856 ZEUPNNXTQQDKCR-UHFFFAOYSA-N 439.581 4.467 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@H]1C[C@@H]1c1ccc(Br)cc1 765751132 PFOMKTAXHCBLFN-KGLIPLIRSA-N 425.120 4.337 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 767922013 CVQKINHQSGAZGC-FQEVSTJZSA-N 440.494 4.038 10 20 IICD Cc1cc(C)cc(C2=CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)c1 770264388 VUSRDLIKZOMERM-HSZRJFAPSA-N 446.595 4.004 10 20 IICD Cc1cc(C(=O)CN(C)CCc2cnccn2)c(C)n1-c1cccc(Br)c1 771464965 RKANAGHPZGUULN-UHFFFAOYSA-N 427.346 4.004 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 780558065 IWOCNRDPCUMIRP-UHFFFAOYSA-N 427.504 4.089 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1-c1ccccc1)c1ccc(N)cc1 783483340 UBFYZTYQUKKHHB-GOSISDBHSA-N 425.492 4.187 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1 786826031 CZMHSFMRSLCTNC-UHFFFAOYSA-N 440.979 4.417 10 20 IICD CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)sc2C1 789484631 DOQUAKOFOSSOHA-KRWDZBQOSA-N 440.613 4.149 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)cc1 789554862 MXABQWFDIKGLJN-UHFFFAOYSA-N 443.334 4.376 10 20 IICD C[C@@H](C(=O)Nc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1)n1cncn1 792863562 NGXKVHCYQPSGMR-AWEZNQCLSA-N 432.450 4.175 10 20 IICD COc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1-n1nnnc1C1CC1 792878540 SYVVAWWUJAJYGU-UHFFFAOYSA-N 432.450 4.245 10 20 IICD CN1CCC2(CCCN(Cc3cc(Br)cc(Br)c3O)C2)CC1 798957086 MSWYGSJWYMVYQM-UHFFFAOYSA-N 432.200 4.225 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1 799833444 UKBRBUSRGUBKIK-KRWDZBQOSA-N 434.492 4.104 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 802609867 LONXLXUNYVTTDY-HXUWFJFHSA-N 440.540 4.108 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cc(OC)c(C)c3C)cc2F)CC1 806764010 CBLVMLAJCPUTJI-UHFFFAOYSA-N 428.552 4.223 10 20 IICD O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807505716 NGGSMVJSQWVUBQ-WIYYLYMNSA-N 436.483 4.106 10 20 IICD O[C@@H](COc1ccc(F)cc1)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 836233130 DGUYUNYACXIAKZ-FPOVZHCZSA-N 428.529 4.400 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 863992064 RAVWGYFYNVMDFM-UHFFFAOYSA-N 446.573 4.226 10 20 IICD CCN(CCc1ccccc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914504437 DDHHDAGSVHLEBL-UHFFFAOYSA-N 428.444 4.075 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1OCCO 918637322 RTXCZOPPVSEHNF-UHFFFAOYSA-N 428.916 4.057 10 20 IICD Cc1cc(C(=O)NCc2ccccc2NS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1115891226 ULPSIHXDHZCTJH-UHFFFAOYSA-N 431.945 4.049 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1cccc(Br)c1 1116820393 BPYGVZQPJLMGNH-SFHVURJKSA-N 449.389 4.012 10 20 IICD Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1321091034 LVYJCTLXACYPDQ-UHFFFAOYSA-N 446.956 4.074 10 20 IICD CC/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1823097282 POLWFLGSDNBWDJ-GXDWLZFVSA-N 432.908 4.137 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)CCOc2ccccc2)CC1 116033904 NATPEMQBQTYPRO-UHFFFAOYSA-N 449.595 4.001 10 20 IICD COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(OC(F)F)c1 237472175 YFTNNUCFWGBWAG-UHFFFAOYSA-N 446.416 4.442 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)n(C)c2ccccc12 472789020 JONVXGHDYMHHED-UHFFFAOYSA-N 439.515 4.344 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccncc3)SC2=S)cn1 726986320 OOZAIFQDJYEYJO-UNOMPAQXSA-N 435.530 4.470 10 20 IICD Cc1ccc(C(=O)N2CCC(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 727471185 LERNAGHPZXXWDB-UHFFFAOYSA-N 436.556 4.288 10 20 IICD CC(=O)Nc1cccc(OCCNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 729381132 BAQOZHNQSFRHPK-UHFFFAOYSA-N 439.943 4.444 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)COc1ccccc1F 731107372 PWSQCHFPKFPKMU-IBGZPJMESA-N 430.520 4.043 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1F 731347201 QDBLMSZLECLNJO-SFHVURJKSA-N 444.526 4.371 10 20 IICD O=C(c1cnn(Cc2ccccc2Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731857291 ZLVBFHQSTPPSQI-FQEVSTJZSA-N 425.916 4.112 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C)nc3[nH]nc(C)c23)cc1 732114930 PXNLTUYHKIHSBO-UHFFFAOYSA-N 429.524 4.496 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)cc21 734740099 KFXRFBABMBZASW-UHFFFAOYSA-N 439.562 4.009 10 20 IICD CN(C)c1ccc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 741521328 BSQGXJHWMBJFBR-UHFFFAOYSA-N 439.357 4.120 10 20 IICD O=C(NC[C@@H]1CCN(c2ccccc2)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743550570 CJRSFVACBRKZBS-OALUTQOASA-N 444.526 4.083 10 20 IICD COc1ccc(C)cc1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745351891 UBDAGWXYANSVOU-GOSISDBHSA-N 433.499 4.116 10 20 IICD Cc1cc(C(=O)COC(=O)c2nccn3ccnc23)c(C)n1-c1cccc(C(F)(F)F)c1 748460105 RPMUTNJQZFGWAA-UHFFFAOYSA-N 442.397 4.195 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1CCC(NC(=O)C2CCCC2)CC1 751308510 YZYAJIYXVPXBRE-UHFFFAOYSA-N 431.540 4.200 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3coc(-c4ccccc4)n3)CC2)cc1F 753730478 JDNJVROOUGNLHF-UHFFFAOYSA-N 441.528 4.071 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1cccc(C(F)(F)F)c1 755633167 BJCQKBPFLSHBQN-UHFFFAOYSA-N 431.414 4.262 10 20 IICD CC(C)c1ncc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)s1 758416096 NMFGPHCQFQCXCI-YVLHZVERSA-N 432.592 4.482 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1F 760110034 ZMXFQIXCHSPXCS-UHFFFAOYSA-N 438.503 4.199 10 20 IICD C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 764901020 LUCMTIJIGAEPJA-IBGZPJMESA-N 439.581 4.209 10 20 IICD CN(C)c1ccc(CN(Cn2nc(-c3ccccn3)n(C)c2=S)CC(F)(F)F)cc1 764970125 MNGYEIDORRRMRE-UHFFFAOYSA-N 436.507 4.101 10 20 IICD COc1ccc2c(c1)CCCN2Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 766341908 UJNUDPAVHWCEHN-UHFFFAOYSA-N 435.475 4.457 10 20 IICD O=C(Nc1ccccc1F)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 768449599 WQPAIIICYJXRCV-HSZRJFAPSA-N 449.482 4.159 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2C[C@@H](C)N(C)C[C@H]2C)sc(C)c1-c1ccccc1 768762988 FYCFGGQWYGJGAD-IAGOWNOFSA-N 443.613 4.253 10 20 IICD Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1ccc(O)c(O)c1 768920228 UZAJJYMXRHZMSG-UHFFFAOYSA-N 434.876 4.443 10 20 IICD CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 770347103 HACXDJQMKWPZCZ-UHFFFAOYSA-N 445.604 4.241 10 20 IICD CCN(C)c1ccc([C@H](C)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 772967799 WPRMYAKKNYFTMT-IBGZPJMESA-N 439.600 4.176 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 773744833 DYIGHRODKAEVBM-AWEZNQCLSA-N 442.562 4.251 10 20 IICD COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC2)cc1F 779928982 FQBUYPBISNMDMB-UHFFFAOYSA-N 433.455 4.198 10 20 IICD C[C@@H]1CN(c2ccc(CNc3nn4cc(-c5cccnc5)nc4s3)cc2F)C[C@@H](C)O1 782284454 HDGZBTHUQOFZLZ-HUUCEWRRSA-N 438.532 4.218 10 20 IICD COC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783481738 DFYHZTXGRKNRAV-INIZCTEOSA-N 432.480 4.180 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790955016 QBVSUXUYACVIAQ-UNMCSNQZSA-N 434.584 4.117 10 20 IICD CN(C)C(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 797388367 YWPRROMLQBITIL-UHFFFAOYSA-N 444.495 4.450 10 20 IICD COc1cc(Br)cc(CN(CCc2ccccn2)Cc2cccnc2)c1O 797604886 FFNHQEBCCRZILH-UHFFFAOYSA-N 428.330 4.198 10 20 IICD CCC[C@H]1CCc2nc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)sc2C1 799441962 RTXDQTVFZWUQPM-HNNXBMFYSA-N 446.592 4.470 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801914700 DILNNMMWIPYGFN-IBGZPJMESA-N 428.401 4.133 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1 812903623 VPBVJAJLJLIMIP-HOYKHHGWSA-N 425.573 4.368 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 813792771 CGQDXHQZFKNSJR-CVEARBPZSA-N 433.549 4.083 10 20 IICD CN(C)c1ccc(CN2c3ccccc3N(Cc3ccc(N(C)C)cc3)S2(=O)=O)cc1 814739717 BBWFPQDKNXVYLY-UHFFFAOYSA-N 436.581 4.090 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ccc(N4CCCOC4=O)cc3)cc2F)CC1 815577804 ZOSJPOTXJRPWDX-LJQANCHMSA-N 440.563 4.165 10 20 IICD CCOC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(Br)c1 816574213 AIOREFGRGMOVNE-KRWDZBQOSA-N 446.700 4.350 10 20 IICD C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccc(N2CCCCC2)cc1 857758272 BPPQLVYAKOGJTJ-HXUWFJFHSA-N 434.584 4.263 10 20 IICD Cc1cc(C(=O)N(C)CCOc2ccc(Br)cc2)c(C)n1-c1ccccn1 914846814 UXANJLFQIACTTO-UHFFFAOYSA-N 428.330 4.403 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C[C@@H]2CCOC2)C2CC2)sc(C)c1-c1ccccc1 915670306 IXNZQBOURZEOFW-KRWDZBQOSA-N 442.581 4.340 10 20 IICD COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1OC(F)F 915851196 QSFGCPSCSIHEBZ-NTEUORMPSA-N 437.445 4.401 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(Br)c1 916456857 WEGIOSKELLFGBL-UHFFFAOYSA-N 443.263 4.235 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3Cl)cc2F)C[C@H](C)O1 917168416 PCGDDFCUTQRNPN-KBPBESRZSA-N 441.330 4.441 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 918020152 JWROOAIDNBCQII-UHFFFAOYSA-N 434.515 4.486 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C2CC2)cc1 918130710 LCUGWBUQKJLGED-UHFFFAOYSA-N 443.551 4.274 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OCC2CC2)cc1 919815386 HFQKWDCCPBKYOQ-UHFFFAOYSA-N 434.458 4.261 10 20 IICD C[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 920869814 AOZWVSUCAMNVQQ-AWEZNQCLSA-N 425.426 4.242 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cccn2)c(F)c1 1318794793 KHGPXLFYLNAJPN-INIZCTEOSA-N 430.430 4.012 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c2ccccc2n1 1324252563 TVBSPSMHKGINJV-SFHVURJKSA-N 429.524 4.180 10 20 IICD CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830741696 YULFGXJOGFPVIQ-SSWSSLRGSA-N 434.964 4.341 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3cccc(Cl)c3)cc2F)C[C@H](C)O1 108465992 JUNMYPSBACIFPI-IRXDYDNUSA-N 449.954 4.313 10 20 IICD Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 237773957 WTMNWBLQHHISQR-AWEZNQCLSA-N 448.436 4.030 10 20 IICD CC[C@@H](C)Oc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC 726626491 CNVYJISGYCUOFD-CQLSMYGBSA-N 442.562 4.377 10 20 IICD CCOC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 727036605 UBSHYISQZZFVCW-UHFFFAOYSA-N 437.500 4.120 10 20 IICD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 727164536 OYUIGDRPNQLQHZ-CYBMUJFWSA-N 441.330 4.177 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)cc1Cl 727245052 ARJZXGOYEOGRET-UHFFFAOYSA-N 438.914 4.044 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)OCc2ccccc2)cc1 731884884 IFFKUBQQXCYDGG-UHFFFAOYSA-N 447.535 4.221 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1 732064692 AVYFHDQEECOXDW-GOSISDBHSA-N 428.483 4.388 10 20 IICD Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 733647474 RIJMXIIFKGTAOR-NRFANRHFSA-N 425.548 4.012 10 20 IICD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(N(C)C)cc4C)cc3C2=O)c1 734404071 FJXVIIXUYMAHOI-UHFFFAOYSA-N 441.531 4.408 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCCN(c2ccccc2)C1 734666867 NFLBLWLUMSOIBV-IBGZPJMESA-N 444.526 4.225 10 20 IICD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735516325 OKTGDOOQFIZMMI-IBGZPJMESA-N 447.491 4.329 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(=O)NC)ccc1Cl 743103277 SLNBJDVVRAKBAL-UHFFFAOYSA-N 440.725 4.222 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 743103319 RLINLFZPNGZWAK-UHFFFAOYSA-N 446.345 4.331 10 20 IICD COc1ccc2c(c1)OCC[C@H]2NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743651137 ZRJMOCQXGJPFOO-FOIQADDNSA-N 447.482 4.088 10 20 IICD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1c(O)ccc2c1CCCC2 743718979 PPZMBYOUBQHLMW-OBVAKMOBSA-N 438.612 4.244 10 20 IICD O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743735806 LNXGOOOFBOMWLG-OMYRSMHSSA-N 434.527 4.094 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC)s3)SC2=S)cn1 746523333 SMXIDOWSKONPKM-IZZDOVSWSA-N 443.369 4.329 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 751362183 XJAXGLFKXXVESK-UHFFFAOYSA-N 444.597 4.398 10 20 IICD COc1ccccc1N1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1=O 757286061 KLMWQZMJXPOANR-FQEVSTJZSA-N 437.540 4.051 10 20 IICD COc1ccc(C[C@@H](C)CN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 761671227 ZKBWXROOIOVCDG-WOJBJXKFSA-N 425.573 4.113 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NCCCSc1nccs1 762759409 JWNUANJRPVHELV-GVDBMIGSSA-N 427.636 4.020 10 20 IICD C[C@H](NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 765699048 AQWBQABPZAYFAL-UNMCSNQZSA-N 428.020 4.392 10 20 IICD Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768917387 YETYABDMAZUJHH-QGZVFWFLSA-N 445.972 4.394 10 20 IICD Cc1cc(CC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769313644 HSJJLMHLAYSILB-ZEQRLZLVSA-N 444.019 4.174 10 20 IICD O=C(Nc1cccnc1Br)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770276366 UTSJGKACWZXSDC-LBPRGKRZSA-N 441.276 4.236 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)CCC(=O)N4C)SC2=S)cc1 773895391 AYLDVFNVGOGQBT-ZHZULCJRSA-N 438.574 4.048 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)c1ccc([N+](=O)[O-])cc1 776275181 JMVUXQREDUWWCU-SFHVURJKSA-N 427.482 4.075 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 776633765 XBEUSNPWIGGIQF-TZIWHRDSSA-N 429.948 4.015 10 20 IICD Cc1ccc(C(=O)NCC(F)(F)F)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 777634614 QOFYGSCSGRDBFU-OAHLLOKOSA-N 439.453 4.436 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cnn(CC(F)F)c1 777665598 MBPHDSQSFQAMMH-UHFFFAOYSA-N 439.296 4.379 10 20 IICD COCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1 778759177 ZMJSTPONCVXALR-QFBILLFUSA-N 437.487 4.235 10 20 IICD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 779023909 WXBWEWHECRIVQV-GMAHTHKFSA-N 431.621 4.068 10 20 IICD CC(=O)c1cc(F)cc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1O 779476166 ZCLPKBVRYTVDJO-UHFFFAOYSA-N 427.394 4.116 10 20 IICD Clc1ccc(-n2cc(CNCc3ccc(N4CCSCC4)cc3)nn2)cc1Cl 784496831 AZNGJCTWXKWIJX-UHFFFAOYSA-N 434.396 4.417 10 20 IICD CC(C)[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1 788957457 LUCSPAUUPDWSTP-VXKWHMMOSA-N 447.526 4.314 10 20 IICD COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 792036325 UFUIWVYQCROQCY-QFIPXVFZSA-N 427.614 4.077 10 20 IICD CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cn1 797785077 SRHTTXSOFJPQLZ-UYRXBGFRSA-N 446.557 4.354 10 20 IICD COc1cc(Br)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O 798082889 FQIQKLSQADGYCH-KBPBESRZSA-N 449.345 4.025 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)cc2Cl)C1 799883705 NBUKUYACXSPJRZ-RDJZCZTQSA-N 446.945 4.260 10 20 IICD CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 800047477 LRBQVVFFVVXBGL-UHFFFAOYSA-N 443.550 4.203 10 20 IICD C[C@]12CCN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C[C@@H]1C2(Cl)Cl 806877746 FRLGMEFNPLOCGH-AXHNFQJDSA-N 448.341 4.482 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1 813050420 DCETWVZKLTXHFQ-VWLOTQADSA-N 437.584 4.123 10 20 IICD O=S(=O)(Cc1ccc(C(F)F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 815010346 JRNPLQJREBKJDD-UHFFFAOYSA-N 446.466 4.314 10 20 IICD Cc1cc2cc(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc2nc1Cl 815016782 PIWIBHMOOHMQSZ-SFHVURJKSA-N 446.956 4.272 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)Nc3ccc(OC(F)(F)F)cc3)cc2F)C[C@@H](C)O1 849069950 XSRPJQUSRINHCP-OKILXGFUSA-N 440.441 4.474 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3Cc3ccccc3)cc2)C1 918027128 XQXVTFQNTFYTCB-QHCPKHFHSA-N 442.563 4.301 10 20 IICD CC(C)[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Nc1ccccc1 918201836 OLUUZDAHSXMTRA-DNVFCKCGSA-N 442.579 4.375 10 20 IICD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 918546349 RSEUIOCDNZAUIH-UHFFFAOYSA-N 426.586 4.008 10 20 IICD C[C@H]1Oc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2NC1=O 919652524 IGCYBMDVEITGOL-MRXNPFEDSA-N 434.496 4.299 10 20 IICD CCCCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920872606 VHJBDGYUYNDHHN-IBGZPJMESA-N 441.572 4.271 10 20 IICD COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 1318740927 VBSLBHRVOHXXPV-UHFFFAOYSA-N 441.437 4.114 10 20 IICD Cc1nc(CSCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 1339546312 UBJHGRCYSXDMTG-AWEZNQCLSA-N 427.542 4.071 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(C)C)[C@H]2c2cccnc2)cc1 1811264956 SLZQPRMHULGCIW-ZCYQVOJMSA-N 444.579 4.465 10 20 IICD Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1 23633542 IPNQCWVXEJEVOA-UHFFFAOYSA-N 430.258 4.422 10 20 IICD Cc1c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 72043650 XLINZWAIYUOATQ-UHFFFAOYSA-N 448.527 4.183 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(COc2ccccc2)cc1 303034029 UPRCJLWDXJQKPH-UHFFFAOYSA-N 434.511 4.296 10 20 IICD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566041 XDNJSWJKUMPTSS-UHFFFAOYSA-N 448.470 4.174 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCC1CCN(Cc2csc(CC)n2)CC1 732470424 FDDHGMFKVKPEBB-UHFFFAOYSA-N 430.618 4.245 10 20 IICD COc1cc(-c2nc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cs2)ccc1O 732808287 NFBUXKZNBUFTFO-LJQANCHMSA-N 426.538 4.411 10 20 IICD C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 733845118 MHHOKPKLYUWIGR-CQSZACIVSA-N 441.425 4.486 10 20 IICD CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2cc(OC)ccc2O)cc1OCC 734017781 YGHPHUPQRROOKX-UHFFFAOYSA-N 449.503 4.359 10 20 IICD COC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(OCC(F)(F)F)c1 741065558 GAASSFGTKCMPSO-UHFFFAOYSA-N 449.429 4.112 10 20 IICD Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 742011231 MEDAXYRVWGNQBI-INIZCTEOSA-N 442.471 4.348 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2csc(C3CC3)n2)NC(=O)OC(C)(C)C)cc1 742749973 KQFUUQRRBRTSBC-QGZVFWFLSA-N 430.574 4.082 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1SC(F)F 742799935 OAWGLFFEFBUJSQ-LBPRGKRZSA-N 429.439 4.397 10 20 IICD C[C@@H]1Sc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2NC1=O 742801021 WQFKVQGUAABGRT-ZFWWWQNUSA-N 447.507 4.120 10 20 IICD COC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743070433 OESRNBWCLBXPFX-MRXNPFEDSA-N 433.455 4.174 10 20 IICD CC(C)c1ccc(N2CC[C@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)C2=O)cc1 743339726 WPYLYVBGSYMRJI-XZOQPEGZSA-N 436.552 4.076 10 20 IICD O=C(NCCCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743519687 FTTGASFTCWLWQE-MRXNPFEDSA-N 443.498 4.065 10 20 IICD O=C(NCCc1c[nH]c2ccc(Cl)cc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 745888467 NSXOIZODVPFGFS-IBGZPJMESA-N 427.932 4.460 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)n1-c1cccc(Cl)c1 745974669 HCFOXAICYKUJGJ-UHFFFAOYSA-N 436.943 4.177 10 20 IICD Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c3c(C)noc3n2)cc1 751357953 LCRKDTJLLNJOAY-UHFFFAOYSA-N 442.519 4.273 10 20 IICD Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 758961791 FNKCPBXSZOYJSC-UHFFFAOYSA-N 432.524 4.237 10 20 IICD COc1cc(Cl)cc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1O 761214527 DRVKTAJDFVBHNC-KRWDZBQOSA-N 442.865 4.354 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3COc4ccc(Cl)cc43)cc2F)C[C@@H](C)O1 762061737 QWQROLXTBAENHU-LPMFXHHGSA-N 433.911 4.026 10 20 IICD CCCSc1nsc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 762954039 TWQVCGLQXLYLPY-UHFFFAOYSA-N 443.545 4.432 10 20 IICD CCCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccc(C)cc1 764661321 AKEVOICDGIHFGI-SFHVURJKSA-N 433.556 4.015 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CC1 767931203 OGKQVRLUNDAEET-UHFFFAOYSA-N 436.434 4.396 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OCc2ccccn2)c(F)c1 772102969 QAZNQOKKNQELNL-UHFFFAOYSA-N 441.846 4.128 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cl 773020835 WTLKGWYQTOEFSG-OAHLLOKOSA-N 429.977 4.265 10 20 IICD C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccc(N(C)C)cc1 773992823 FTTSLKWCZUZMFF-AWEZNQCLSA-N 426.517 4.020 10 20 IICD CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OC)cc1 775660573 FOGACZMJYVRBEP-HXUWFJFHSA-N 436.474 4.361 10 20 IICD COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccc(N(C)C)cc3)n2)c(OC)c1 775836032 XNKYKSDBSXGWPB-OAHLLOKOSA-N 440.569 4.183 10 20 IICD O=C(CN1CCS(=O)(=O)c2ccccc2C1)Nc1ccc(N=Nc2ccccc2)cc1 775885758 AYDSOWQSMGLCTL-UHFFFAOYSA-N 434.521 4.330 10 20 IICD C[C@@H](Nc1cc2c(cc1Br)OCCO2)c1ccc(N2CCOCC2)c(F)c1 777710891 ZTQSSYYRBSOMCM-CYBMUJFWSA-N 437.309 4.369 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Oc4cncc(Cl)n4)CC3)ccc21 777874206 DLROBWORPGZIHQ-UHFFFAOYSA-N 442.947 4.032 10 20 IICD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 779023913 WXBWEWHECRIVQV-JTHBVZDNSA-N 431.621 4.068 10 20 IICD COc1cc(N2CCN(C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)cc(OC)c1OC 779090938 KSEZPDHCQDTZEZ-UHFFFAOYSA-N 441.553 4.040 10 20 IICD Cc1cc(C(=O)CSc2nnc(CNC(=O)OC(C)(C)C)o2)c(C)n1-c1ccccc1 780349943 PLVGYSUVRCGIGZ-UHFFFAOYSA-N 442.541 4.477 10 20 IICD CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 780903306 VRWUMWUMCNSHMR-CYFREDJKSA-N 426.513 4.161 10 20 IICD COc1ccc(N2CCN(CCCNCc3csc(-c4ccc(C)cc4)n3)CC2)cc1 782155241 QXQZOUACTNWCKY-UHFFFAOYSA-N 436.625 4.429 10 20 IICD COC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1F 783132830 CZXXMDZWPSXVFX-OKILXGFUSA-N 448.470 4.078 10 20 IICD CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 783505198 NDIDNAVFGRWHAS-FQEVSTJZSA-N 443.632 4.125 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 784109630 WJIQLBNGFDIJPH-UHFFFAOYSA-N 442.510 4.309 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(Br)n1 786144596 BGGRHYOJAYQZGP-UHFFFAOYSA-N 429.112 4.366 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)CC2)cc1 786864951 HJRYTITYWDVXMF-UHFFFAOYSA-N 439.556 4.119 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1OC(F)F 787868692 JNZSBERVRMJESV-HXUWFJFHSA-N 445.510 4.113 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3ccc(N(C)C(C)C)nc3)SC2=S)cc1 790106368 FGISOQWMEBCZBV-CPNJWEJPSA-N 427.595 4.379 10 20 IICD CCC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1 792066057 IATCAOSWNVGBII-YADHBBJMSA-N 447.526 4.458 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(N4CCNC4=O)ccc3F)cc2Cl)C1 800049993 LKPULFVSXSHSDA-HNNXBMFYSA-N 444.938 4.175 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1 800506157 MHYVAKONAKMRNU-AEFFLSMTSA-N 425.520 4.260 10 20 IICD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O 807837317 LKANMKRLOWFQRW-ZDUSSCGKSA-N 435.373 4.058 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 809933222 WHNCQIVDPLPZBK-MEMLXQNLSA-N 431.621 4.286 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1F 812036516 IHBXISJPAFVUDZ-VQTJNVASSA-N 445.539 4.343 10 20 IICD CN(c1ccc(CNC(=O)NCc2cc3ccccc3n(C)c2=O)cc1)C1CCCCC1 813608933 LKNCGHUNSRKGGF-UHFFFAOYSA-N 432.568 4.307 10 20 IICD CCOC(=O)c1csc(CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)n1 814731734 ZTAVERQJQRHPDS-UHFFFAOYSA-N 431.539 4.267 10 20 IICD Cc1occc1-c1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 844135903 ADSMYPUMPYWHGE-UHFFFAOYSA-N 445.456 4.144 10 20 IICD O=C(COC(=O)c1cn(-c2ccccc2)nn1)Nc1ccc(N=Nc2ccccc2)cc1 914945613 FVNHHGXXLMUNQN-UHFFFAOYSA-N 426.436 4.478 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Br)cc2F)C[C@@H](C)O1 917708149 GBLPOFZHJKZFFE-IYBDPMFKSA-N 449.364 4.451 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc(Cl)c1OC 920472088 JFLAPELOYDHHDT-LFIBNONCSA-N 426.991 4.043 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3Cl)n2)cc1 1323469071 AEEQVCYXXARMPM-UHFFFAOYSA-N 435.958 4.209 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)CC2)cc1 110470303 LIYZZWMTEUWWPR-UHFFFAOYSA-N 449.576 4.086 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(Br)c(F)c3)CC2)cc1 195736235 IOQYDKJAIITKDB-UHFFFAOYSA-N 436.325 4.019 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3noc(C)n3)c3ccccc3F)ccc21 303532091 GAKPRIPHJMXYAR-JOCHJYFZSA-N 436.487 4.254 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 437015974 HGOVXOOKJVVWOE-UHFFFAOYSA-N 428.842 4.047 10 20 IICD CC[C@H](C)N(C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1ccc(C(N)=O)cc1 463598463 XIXMSPIISFDXJD-IBGZPJMESA-N 446.595 4.338 10 20 IICD Cc1c(CNC(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)n(C)c2ccccc12 472231682 QKHXXBLPNSOCAP-UHFFFAOYSA-N 443.551 4.169 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cc4nnc5n4CCC5)cc3)ccc21 481099199 BMCYGOOZCHZQRA-UHFFFAOYSA-N 443.551 4.285 10 20 IICD Cc1c(CN2C(=O)CN(Cc3cccc(Br)c3)C2=O)n(C)c2ccccc12 553083874 ATWCEGOXVWDOCD-UHFFFAOYSA-N 426.314 4.214 10 20 IICD Cc1cc(NC(=O)C2=S=C(S(=O)(=O)c3ccccc3)C=C2)ccc1-c1ccncc1 561090656 YQTPHQMWULQSKH-UHFFFAOYSA-N 434.542 4.075 10 20 IICD CC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 726837892 DAKZCNDARFQFMQ-UHFFFAOYSA-N 425.312 4.042 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Oc3cccc(NC(=O)c4cnn(C)c4)c3)c2C)cc1 727956043 FEVIKHFWWBTQTH-UHFFFAOYSA-N 444.491 4.308 10 20 IICD Cc1cc(C(=O)N2CCC(c3nnc(S)n3C)CC2)c(C)n1-c1cccc(Cl)c1 731634012 QTXRJPUUSHWSTK-UHFFFAOYSA-N 429.977 4.185 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1F 732434701 CQKIVBUSCUPEBP-UHFFFAOYSA-N 441.528 4.187 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 735330723 IQJFAJGVKVOPDK-UHFFFAOYSA-N 428.535 4.123 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)CC2)cc1 742619877 ZDDWENBMRFPXAI-UHFFFAOYSA-N 427.520 4.218 10 20 IICD Cc1nsc(N2CCCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)n1 743567027 NFRMZKOCESPHDV-UHFFFAOYSA-N 442.633 4.037 10 20 IICD CCN(CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1cc(Br)ccc1O 743873615 ORXWXGZMCLQVED-QFIPXVFZSA-N 447.373 4.253 10 20 IICD Cc1cc(C(=O)NCc2ccccc2CS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 749437979 YWPLHLFESDZHMP-UHFFFAOYSA-N 430.957 4.222 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1 752834528 IVBZAESXEPXCLZ-DENIHFKCSA-N 435.572 4.147 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Br)ccc3F)CC2)cc1F 753884747 KZIRKJUFMCRIAP-UHFFFAOYSA-N 426.261 4.090 10 20 IICD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 756052476 HCYAATUPZMFGGC-CVDCTZTESA-N 447.583 4.117 10 20 IICD COCCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1cc(Br)cs1 756137094 IHEMSQJSTIAVNQ-UHFFFAOYSA-N 443.382 4.135 10 20 IICD Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)c(C)n1-c1ccccc1Br 758597898 RTGMIIGSMUMWGJ-UHFFFAOYSA-N 430.350 4.039 10 20 IICD CCCn1ccnc1CCCN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758889905 YBNWTSKUGXWMNM-SFHVURJKSA-N 449.546 4.138 10 20 IICD C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 760036948 GLRWFRAGESUZIS-MUEKUWCCSA-N 430.539 4.226 10 20 IICD CCCc1c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1-c1cc(C)ccn1 760970291 MWXUBLXEPXPMDA-FQEVSTJZSA-N 449.555 4.447 10 20 IICD COc1cc(Cl)cc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1O 761214709 FAZNDPAKRRDSOA-OAQYLSRUSA-N 449.931 4.476 10 20 IICD Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1-c1ccccc1 762637158 LYKCDJAASZBXSC-UHFFFAOYSA-N 443.547 4.096 10 20 IICD C[C@@H](NCCc1ccc(OCCN(C)C)cc1)c1ccc(N2CCOCC2)cc1Cl 765801179 PZRFQHJLYKEUHU-LJQANCHMSA-N 432.008 4.010 10 20 IICD CCOCc1cc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1OC 767189384 BXNHUJIWOBLSNV-LJQANCHMSA-N 436.474 4.141 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)CC1 767937380 XTGYPIAHUFRPAL-UHFFFAOYSA-N 447.333 4.140 10 20 IICD Cc1cc(Br)cc(CNc2ccccc2OCC(=O)Nc2cccnc2)c1O 768526113 KLZAWWPQHLIUTL-UHFFFAOYSA-N 442.313 4.488 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)ccc1N1CCCCC1 770663413 BWBOAWYUZDEQRO-UHFFFAOYSA-N 427.520 4.294 10 20 IICD C[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 773024606 MNIXRVSHALNXIQ-PVPMGCCUSA-N 437.403 4.280 10 20 IICD CCOC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(Br)cc1F 775380660 XHKAJAWPCQUFNM-VOJFVSQTSA-N 426.282 4.257 10 20 IICD CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O 775555855 RKHNQNBYNVSADA-MOPGFXCFSA-N 437.367 4.210 10 20 IICD Cc1cc(Br)cc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O 775933573 VIQSAWNDZOTPMO-UHFFFAOYSA-N 449.658 4.468 10 20 IICD C[C@H](NCc1cc(Br)cc(Br)c1O)[C@H](O)c1cccc(F)c1 776230733 LDYARDSGCAZLMK-VFZGTOFNSA-N 433.115 4.268 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 779491380 OEPSTRIMOOUOJE-VZUCSPMQSA-N 444.896 4.204 10 20 IICD CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 780306910 UQGWCFASCRFTEH-UHFFFAOYSA-N 447.501 4.415 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 785543154 JNTURMXHYRWULN-UHFFFAOYSA-N 446.550 4.331 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(Oc4ccc(F)nc4)CC3)cc2)CC1 790318912 NKFDDRVAWBANPM-UHFFFAOYSA-N 426.536 4.210 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 791249340 VRDHKYPIZFTJLW-UHFFFAOYSA-N 438.484 4.078 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c(C)c1 799187674 ZPDJRAZVIHLDAU-UHFFFAOYSA-N 443.550 4.121 10 20 IICD O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 801885817 UEFKXEBRIJGLDI-UHFFFAOYSA-N 446.223 4.367 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl 802610844 UYRMJPROZGCIBD-UHFFFAOYSA-N 446.931 4.378 10 20 IICD CCO[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 802754414 VQXJNVKPLTZXKH-FYYLOGMGSA-N 449.599 4.394 10 20 IICD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C)c1 807513099 GEAHEDIBFVXOBV-UHFFFAOYSA-N 447.322 4.065 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 813591178 UAAHYKJQRXDKEM-LJQANCHMSA-N 449.979 4.392 10 20 IICD CC(C)CS(=O)(=O)N1CCC(N[C@H](CCc2ccccc2)c2ccccc2O)CC1 815609259 BUYMRRHXBNMFER-HSZRJFAPSA-N 430.614 4.106 10 20 IICD O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857472003 DKUWKXFRVRFWTF-KRWDZBQOSA-N 442.865 4.268 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3nc(-c4ccccc4)oc3C)CC2)cc1 913514792 ISGHCMQPSXIWDJ-UHFFFAOYSA-N 437.565 4.241 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(C)c1 914850036 DDKMMEQQIRHPQY-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1C 915220280 QEGCWNGSNUUKRT-UHFFFAOYSA-N 432.523 4.089 10 20 IICD O=C(NCCc1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 916498308 BGXJPELNHPEUHO-LJQANCHMSA-N 438.446 4.224 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 916503102 RLVWNLWWGDZCCR-FQEVSTJZSA-N 427.976 4.355 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2F)C[C@H](C)O1 916678019 BIWXYTXERMATRH-HOTGVXAUSA-N 440.519 4.110 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCc1cc(F)cc(F)c1 917206342 QUBWZEXKBLEOAE-HXUWFJFHSA-N 443.519 4.416 10 20 IICD CCOc1ccccc1OCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917712366 XOVOQUJCHYFRPF-RTBURBONSA-N 444.547 4.313 10 20 IICD CCC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 917935006 KQZGQGATSAQFSW-OAHLLOKOSA-N 441.487 4.250 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 918222794 XFGDPAOLVONWTI-CALCHBBNSA-N 449.954 4.313 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 919749376 PLSICBYHLXIIIV-UHFFFAOYSA-N 439.512 4.479 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)cc1 1318377914 YENAHIXCDPEBJW-UHFFFAOYSA-N 444.531 4.439 10 20 IICD CN1CCN(c2ccc(CNc3cc(Cl)ccc3OC[C@@H]3CCOC3)cc2F)CC1 1320763896 JWMHJKIPFPEWCD-GOSISDBHSA-N 433.955 4.258 10 20 IICD Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)c(C)s3)cc2o1 1321771396 YFQLHVSKOIXGEB-UHFFFAOYSA-N 430.467 4.277 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(CN3CCN(C)CC3)c2)c1O 1338449799 VIJHJAPPRDYCLF-KRWDZBQOSA-N 432.406 4.061 10 20 IICD C[C@@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)O1 1790776727 OSUQVPWZRPSBNB-BFUOFWGJSA-N 444.915 4.066 10 20 IICD CCc1ncccc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1842222945 HHHICQNKTMHQII-UHFFFAOYSA-N 442.563 4.182 10 20 IICD Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/CCn2c1nc1cc(C(=O)O)ccc1c2=O 96792808 GVTJKKPVGZVFEN-KAMYIIQDSA-N 432.867 4.187 10 20 IICD Cc1cc(C(=O)COC(=O)C2(C)CCOCC2)c(C)n1-c1cccc(Br)c1 726840006 ZIQWRFLXWCKLNT-UHFFFAOYSA-N 434.330 4.399 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 729632170 RVGUDXYVSDBGOH-UHFFFAOYSA-N 446.617 4.224 10 20 IICD COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3csc4ccccc34)CC2)cc1 730023321 LTAWIDRAXVCJRG-SFHVURJKSA-N 438.597 4.092 10 20 IICD Cc1ccc(-n2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c3c2CCCC3)cc1 730999262 GCHVNYUPWXALHU-UHFFFAOYSA-N 444.579 4.168 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 731164857 KDCZOYAEOVSDIZ-HSZRJFAPSA-N 445.563 4.427 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)c1 734073732 APLVQZGNWNCXQA-UHFFFAOYSA-N 440.883 4.410 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1Br 742424821 UVBLCXWYRHAPEN-UHFFFAOYSA-N 428.161 4.053 10 20 IICD CCCCc1nnc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 743069457 DGJDINUHHXOBQN-ZDUSSCGKSA-N 425.505 4.273 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 743809245 QFTLGDGNPYXHRA-UHFFFAOYSA-N 432.293 4.071 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 745903524 JYSCSKCWSSAWPX-GHTZIAJQSA-N 449.473 4.179 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1Cl 748091808 KXVWJVSMMUOKMB-UHFFFAOYSA-N 442.975 4.296 10 20 IICD C[C@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccc(N2CCOCC2)cc1 750732826 ZVDWYRXDQDQIJZ-AWEZNQCLSA-N 428.330 4.258 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Br)s2)cs1)c1cncc(Cl)c1 754693510 JUMJJRXIZCJEBN-UHFFFAOYSA-N 436.765 4.483 10 20 IICD COc1cc(C)cc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1O 754731989 MTGHHIBBZVZRBU-UHFFFAOYSA-N 433.346 4.322 10 20 IICD CC(C)Cn1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C(F)F 758967684 CDNBZPCXCXZEGY-UHFFFAOYSA-N 442.457 4.477 10 20 IICD Cc1cc(C(=O)CN2CC[C@H](C)S(=O)(=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 760001095 YGIVTDWRKJKPPW-AWEZNQCLSA-N 443.396 4.093 10 20 IICD CC[C@@]1(c2ccccc2)NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O 761160689 QTEKGNCEDKDVEF-QHCPKHFHSA-N 429.467 4.114 10 20 IICD Cc1cccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)c1 764913282 KQHQDVIBFLGCLJ-CPJSRVTESA-N 444.019 4.209 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(I)cc1 765118609 NISZPYQFTDASMO-CQSZACIVSA-N 440.300 4.118 10 20 IICD CC1(c2ccccc2)CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 769039336 ZBQWTXDZQPSLLE-ACRQWNCLSA-N 448.611 4.088 10 20 IICD CCOc1ccc(O)c(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1 769405250 VPDHPZITXLIFBW-UHFFFAOYSA-N 425.916 4.480 10 20 IICD CC(C)Sc1cc(Br)ccc1/C=C1/SC(N2CCOCC2)=NC1=O 779713574 PNRURKCIIXFQOP-OQLLNIDSSA-N 427.389 4.252 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n1 783946102 NLEVMSCGIJHLQR-UHFFFAOYSA-N 444.456 4.403 10 20 IICD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784061661 RVVDBWSAKAOSQG-UHFFFAOYSA-N 429.904 4.013 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)c(Br)c2)cc1 784107986 JNNBSZJJQMMPST-UHFFFAOYSA-N 434.309 4.332 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sc4cc(F)ccc4c3Cl)cc2)CC1 786258306 BUVZLZCMZPCDKC-UHFFFAOYSA-N 445.947 4.292 10 20 IICD Cc1ccc(-n2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cn2)c(C)c1 786290938 SQCJHQMKPNBQLA-UHFFFAOYSA-N 445.567 4.077 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccccc2OC(C)C)cc1 787878067 KDGLUDUJXASKJL-IBGZPJMESA-N 425.573 4.156 10 20 IICD Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 791903314 FBZATWSZXKKRQA-OAHLLOKOSA-N 441.532 4.372 10 20 IICD CN(CCCCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1 793843061 HGPGHSDXAIOQKF-UHFFFAOYSA-N 437.584 4.086 10 20 IICD COc1cccc(CN(C)C(=O)c2ccc(C)c(O)c2O)c1OCc1ccccc1F 801558171 UEVKWWORXYZGIO-UHFFFAOYSA-N 425.456 4.405 10 20 IICD O=C(NCCCSc1nccs1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 804268619 JIOWIIGPJVWZSJ-UHFFFAOYSA-N 445.997 4.378 10 20 IICD Cc1cc(Br)c(O)c(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 863986482 BYCMYTOMCRHHCU-UHFFFAOYSA-N 439.375 4.250 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1C 914871652 DHWRBZGVRUCFBF-UHFFFAOYSA-N 436.530 4.392 10 20 IICD COc1ccc(-n2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2C)cc1 915067345 MMKXBDWVPOKXKE-UHFFFAOYSA-N 445.523 4.086 10 20 IICD CC(=O)Nc1nc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cs1 915388237 METHLNDDEYUDTJ-UHFFFAOYSA-N 425.510 4.166 10 20 IICD O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 917869401 QLVZTMUEIQNQCB-UHFFFAOYSA-N 439.971 4.218 10 20 IICD C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)o1 918220958 NOYJAZBVXKMYQB-IIBYNOLFSA-N 441.547 4.377 10 20 IICD Cc1cc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 918591435 OEQKLHDIEZUJAC-UHFFFAOYSA-N 431.945 4.049 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(CC(F)(F)F)C1CC1 920014229 UNTXARPHILDMDW-UKTHLTGXSA-N 434.530 4.283 10 20 IICD C[C@H](NC(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccc(N2CCOCC2)cc1 920871980 MKFNBQNJFMZVBS-IBGZPJMESA-N 432.524 4.380 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)no1 1115918970 FKJMNWCFTJQISP-UHFFFAOYSA-N 440.931 4.079 10 20 IICD COc1cccc([C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2nccn2C)c1 29813831 AVRLLGOJUQDECQ-QHCPKHFHSA-N 432.499 4.495 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 105284653 LIKXHTGTEWDSDF-QFIPXVFZSA-N 435.572 4.208 10 20 IICD CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)cc1 109997606 ZFDYPNHSUUGVKW-UHFFFAOYSA-N 426.494 4.467 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)n(C)c2ccccc12 472810553 MXPJDEJHHBPKJI-UHFFFAOYSA-N 445.494 4.460 10 20 IICD O=C(Nc1ccc(-c2nc(Cc3coc(-c4cccs4)n3)no2)cc1)C1=S=CC=C1 546305917 NKOBKOALZARGTE-UHFFFAOYSA-N 434.502 4.260 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1 725732746 WBKMHTQQQGWWRS-UHFFFAOYSA-N 443.551 4.097 10 20 IICD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ccc(N2CCCC2)cc1 726190840 MZTFWFJWLRGUNX-HXUWFJFHSA-N 449.599 4.104 10 20 IICD O=C(Nc1ccc(NC(=O)C2CC2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726698690 NQTDDFWVHQWZSH-UHFFFAOYSA-N 444.482 4.427 10 20 IICD CCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c1OC(F)F 726986045 KFHGKRGXJVXYQG-ZROIWOOFSA-N 438.477 4.496 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 728309221 MCKIPJGNFPIMJC-ZJSXRUAMSA-N 439.575 4.388 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(F)ccc3F)ccc21 728638129 WCKSTMMCOIUGDO-HNNXBMFYSA-N 430.451 4.367 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)cc2)c1 729063077 XMKYECKHODCBNZ-OAHLLOKOSA-N 436.464 4.018 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 731120293 UEMKIUVQUAQPGJ-NRFANRHFSA-N 436.600 4.320 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NCC3(Sc4ccccc4)CC3)cc2F)CC1 731757615 GTURHLIXDPTESV-UHFFFAOYSA-N 442.604 4.092 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1 733730691 CYMVZWFQEJTFEP-UHFFFAOYSA-N 446.329 4.343 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 734065974 LLTCZTYYCDBDPA-HNNXBMFYSA-N 437.471 4.353 10 20 IICD CC1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C(C)(C)CO1 734343309 UQZWKCLNVOXJSR-RVDMUPIBSA-N 438.640 4.146 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCC3(c4cccc(F)c4)CC3)cc2F)C[C@H](C)O1 740030802 JESGUYOYURTIQS-IRXDYDNUSA-N 429.511 4.109 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCc2nc(-c3ccoc3)no2)c1C 740283438 IKXVKJWSLXNGND-UHFFFAOYSA-N 433.464 4.404 10 20 IICD CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 740801190 RMYYXVNBMSYLCZ-UHFFFAOYSA-N 429.586 4.350 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CSc2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1 742755143 WBGNRDLLNWPMTF-FQEVSTJZSA-N 447.576 4.366 10 20 IICD O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743119849 ZVHCVJOWIUJESI-LBPRGKRZSA-N 446.376 4.198 10 20 IICD COCc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1 743283171 XBBCBOJEDRWXSQ-DEDYPNTBSA-N 427.547 4.048 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCCC2)cc1)C1CCCCC1 743421413 CPRSYBQRHKMTQR-UHFFFAOYSA-N 434.584 4.311 10 20 IICD CCSc1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 755276222 BLMVIQUMCFLFMV-IRXDYDNUSA-N 432.561 4.247 10 20 IICD C[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)cc(F)c1O 756649738 ISJAYXGGQCEMRF-WMLDXEAASA-N 435.337 4.178 10 20 IICD C[C@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)cc(F)c1O 756737615 WGTRVAXDMBNSSZ-IFXJQAMLSA-N 435.337 4.178 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3cccc(OC(F)(F)F)c3)CC2)cc1 760166945 SXFDGILQFNPBAT-UHFFFAOYSA-N 437.462 4.404 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C(F)F 760887421 IBUFBKCAJOJEMG-UHFFFAOYSA-N 447.530 4.064 10 20 IICD O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)N(Cc1ccco1)Cc1ccccc1O 760959221 QUQIGUANPSVNIG-UHFFFAOYSA-N 447.491 4.259 10 20 IICD C[C@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(N2CCOCC2)cc1Cl 764725179 YYFIMSNBWVDUJL-ZDUSSCGKSA-N 439.869 4.089 10 20 IICD COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 766237998 NUIWWVKTWDUYTL-SJLPKXTDSA-N 433.499 4.272 10 20 IICD COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 766483240 FPNYKFJTOARAQC-IBGZPJMESA-N 444.531 4.468 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cnc1Cl 767673541 XAVURVBIOVNITC-UHFFFAOYSA-N 447.872 4.269 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768915074 IWFALDSETMRLHD-KRWDZBQOSA-N 447.004 4.138 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 772004308 PBMZGULQYDJYLN-UHFFFAOYSA-N 431.496 4.359 10 20 IICD CC(C)[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(C(F)(F)F)c1 774419129 MBLFHYDPLVWKBE-OAQYLSRUSA-N 440.531 4.427 10 20 IICD CC[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c(Cl)c1O 775556532 ZRGCNBQVAOOEOW-KRWDZBQOSA-N 429.369 4.480 10 20 IICD C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(N2CCOCC2)cc1 776068175 PBILIGIMJNLIJZ-SFHVURJKSA-N 448.567 4.095 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)cn1 777696134 WDLTXVJZCCJTDA-UHFFFAOYSA-N 439.518 4.254 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 777822274 FUIIKYFNZIXDLD-MBSDFSHPSA-N 442.515 4.001 10 20 IICD Cc1nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(-c2ccccc2)s1 778821495 ZIEOZRYEBAQQDS-UHFFFAOYSA-N 425.529 4.149 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cccnc1Sc1ccc(Br)cc1 778916697 OMJAAPLHTRAHSB-UHFFFAOYSA-N 431.311 4.337 10 20 IICD CSc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 780702991 GHFKINOIGFHWEB-UHFFFAOYSA-N 439.609 4.030 10 20 IICD CC(C)S(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 781147436 HACGDSKMXGEMKX-UHFFFAOYSA-N 428.598 4.060 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)c2)no1 783487558 WUDGGRHGNKHVTI-INIZCTEOSA-N 441.491 4.360 10 20 IICD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)oc12 785540273 URBJBHUZCUYCJD-KRWDZBQOSA-N 437.540 4.171 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2n1CC(F)(F)F 786765539 KHWKZXWUBAXRDA-UHFFFAOYSA-N 431.458 4.312 10 20 IICD Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)n2)c1 787013877 UNNKNFMSAGNMJO-HZPDHXFCSA-N 426.952 4.077 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 789855489 OQJLBRKFYOGKJI-PHRJPNOBSA-N 439.309 4.369 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(OC(F)(F)F)c(Br)c1 791882213 ZFSRCPPEWPXDQW-UHFFFAOYSA-N 435.196 4.123 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)cc1 793574978 LLRHUNOUQHFQOK-NWDGAFQWSA-N 430.339 4.499 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)c1O 794829351 RDOKVNPYXFMBEA-BONVTDFDSA-N 442.151 4.103 10 20 IICD C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 794842841 SVGLPQJZSNUFLV-IFXJQAMLSA-N 444.881 4.459 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1 795858944 ZXODHBFKDZFSGB-LEWJYISDSA-N 436.474 4.013 10 20 IICD CC(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802662341 NWCOAZIXEPQKDT-UHFFFAOYSA-N 440.979 4.123 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(C(F)(F)F)c1 803663736 YRYSERAPKKUVEE-LJQANCHMSA-N 439.453 4.040 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(Cc4cccs4)CCCCC3)cc2)CC1 811358302 QIEKPKHMCQEZIA-UHFFFAOYSA-N 439.625 4.226 10 20 IICD C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 812391022 QDJMPCUFWXMMKW-IRXDYDNUSA-N 442.947 4.450 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812425123 MOCPSSDFIAOBNI-IBGZPJMESA-N 432.528 4.014 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncn(C(C)(C)C)n2)c(C)n1-c1cccc(C(F)(F)F)c1 812693444 ADSQEWCYYPRJOI-UHFFFAOYSA-N 448.445 4.499 10 20 IICD O=S1(=O)CCCN1c1cccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)c1 815616805 YPRPRQUIBADRJZ-DEOSSOPVSA-N 436.577 4.396 10 20 IICD CCOC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc1C 915038399 MTHHHJKGBICCTG-UHFFFAOYSA-N 438.455 4.153 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2ccc(C(F)(F)F)n2)cc1 916557606 XHZYQWOUWJNAFI-UHFFFAOYSA-N 432.446 4.210 10 20 IICD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708562 JLKYKGPXQQBGDP-ZDUSSCGKSA-N 427.303 4.053 10 20 IICD Cc1ccc(Cn2ncc3c(C(=O)N4CCOc5cc(N(C)C)ccc54)cc(C)nc32)cc1 1339562251 PRIOALSUORZRJK-UHFFFAOYSA-N 441.535 4.202 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cn2C)C3)cc1 1800514317 NFJHBFXZXUWDOH-UADZTWIMSA-N 448.542 4.137 10 20 IICD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCCCC1)CC2)c1cc(O)c(O)c(Cl)c1 1823708535 FQCRUANMOGEROM-CYBMUJFWSA-N 449.960 4.014 10 20 IICD O=C(C1=CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737924 YPMQTYLYNNHABV-IBGZPJMESA-N 432.948 4.095 10 20 IICD O=C1/C(=C/c2ccc(-c3ccc(F)cc3)s2)SC(=S)N1CCCN1CCOCC1 11094509 RQIULVVUXFSPIN-RGEXLXHISA-N 448.610 4.478 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)cc1F 15447844 HHDGYWIPHRSQQU-UHFFFAOYSA-N 432.499 4.093 10 20 IICD Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2[N+](=O)[O-])cc1 33792312 IBLDFTFJAAFHKJ-SXGWCWSVSA-N 446.531 4.340 10 20 IICD COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 58191814 USIKTNMBTARXIX-HSZRJFAPSA-N 433.483 4.229 10 20 IICD Cc1c(CNC(=O)N(CCO)Cc2ccc(Br)s2)n(C)c2ccccc12 472219098 FSGPLDKBOQENGB-UHFFFAOYSA-N 436.375 4.015 10 20 IICD CO[C@@H](c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1)c1ccccc1Cl 547228113 LSVDSKUMXQWOFM-GOSISDBHSA-N 425.897 4.342 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)Nc3ccccc3SC)ccc21 590661600 HLBQYMSYJQBYEB-UHFFFAOYSA-N 439.581 4.337 10 20 IICD Cc1cc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(C)n1-c1ccc(F)cc1 726176470 PYAUFVADGWNKBT-FQEVSTJZSA-N 438.478 4.409 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 726560578 FRUXSVPIUBUCOJ-UHFFFAOYSA-N 425.529 4.441 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 727170066 FYQQALWEYGWFFM-GOSISDBHSA-N 430.570 4.008 10 20 IICD CCOCCOc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 728393132 RPMCCEMKWKNUJR-QGZVFWFLSA-N 447.963 4.475 10 20 IICD Cc1sc2nc(CCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)nc(O)c2c1C 731017073 UWXXZOCDCKWHEV-UHFFFAOYSA-N 438.597 4.499 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1F 737189847 GDHSDEYYZHOQMM-UHFFFAOYSA-N 436.487 4.114 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 743112180 HWHVRSFEPRLUGR-HNNXBMFYSA-N 426.473 4.497 10 20 IICD COc1ccc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c(OC)c1OC 743284422 MHOQYEMPVKDDOJ-HNMKQIAWSA-N 441.574 4.471 10 20 IICD CO[C@]1(C)C[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1(C)C 744720959 OBPQBBAMGOLCSQ-SOGAHWKTSA-N 438.640 4.049 10 20 IICD C/C(=C/C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 745486415 ZIQASZLXOFCVPS-VBKFSLOCSA-N 434.458 4.377 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(C(F)(F)F)c1 746644518 VIBATBBVIOPSIB-UHFFFAOYSA-N 443.447 4.082 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 747147811 DWCFNCRHRKSULO-LDADJPATSA-N 445.884 4.343 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 747496287 VELSNGDUJXPTIN-MHZLTWQESA-N 432.612 4.485 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](CNC(=O)c4ccccc4)C3)c2C)cc1 748739347 OYNLIPZIRFESPH-OAQYLSRUSA-N 445.563 4.385 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(C(N)=O)(c4ccccc4)CC3)c2C)c1 749390622 CSFIEBRPZRQIJZ-UHFFFAOYSA-N 429.564 4.370 10 20 IICD CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)o1 751301440 CMOXIWWEEFDORK-UHFFFAOYSA-N 433.468 4.266 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)sc2C)cc1 751590960 WDAUJDUMMQFWFU-KRWDZBQOSA-N 432.571 4.030 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2cc(Br)cc(F)c2O)N(C)C)cc1OC 756666066 ZKSDUYDQFVYQQH-YVEFUNNKSA-N 441.341 4.265 10 20 IICD C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758815700 SFXVQSKLHSDNTJ-BLIXFSHQSA-N 433.499 4.068 10 20 IICD COc1cc(N2CCN(C(=O)[C@H](CC(C)C)c3ccccc3)CC2)cc(OC)c1OC 759238235 DTKRHJNZPBSWJR-OAQYLSRUSA-N 426.557 4.191 10 20 IICD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 763550069 ZSQUXGBQQJBWMH-UHFFFAOYSA-N 439.357 4.473 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccnc(Sc2ccccn2)c1 765276268 FOXCZGIBKSMJHL-UHFFFAOYSA-N 431.315 4.418 10 20 IICD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(N2CCOCC2)c(F)c1 768215112 ZOVRBJNBBJDROH-UHFFFAOYSA-N 440.346 4.430 10 20 IICD Cc1cc(C(=O)CN2CCOC3(CCOCC3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 769229746 LGUYTGMUTDGZQZ-UHFFFAOYSA-N 434.939 4.341 10 20 IICD CC(C)(C)OC(=O)NCc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 771921730 WQKDMHIYVGFOND-UHFFFAOYSA-N 445.903 4.039 10 20 IICD Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 785293973 IMHAFSIYPFVURA-KRWDZBQOSA-N 434.492 4.193 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(C(C)C)c(Cl)c3)CC2)cc(OC)c1OC 786251158 VIKWNPULAPWOKO-UHFFFAOYSA-N 432.948 4.452 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 792182463 FDYZCQZVOFKDKJ-UHFFFAOYSA-N 447.595 4.275 10 20 IICD CC[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O 796777519 HFDIRXNIOUJCND-FQEVSTJZSA-N 430.501 4.363 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 797627974 QVWBWERTLANTLW-OAHLLOKOSA-N 429.517 4.217 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OCC(F)(F)F)c(F)c1 800571704 OWINZKZRPVTIHB-UHFFFAOYSA-N 445.388 4.064 10 20 IICD O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 802839867 PAHZOLAXZDVKKP-FQEVSTJZSA-N 445.441 4.418 10 20 IICD O=C(NCCCCC(=O)OCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O 805274692 CJDFNILQQJQIRE-UHFFFAOYSA-N 425.312 4.412 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)[C@@H](C)c1ccccc1 806870276 OPZIOSXROKKBJQ-UXHICEINSA-N 433.552 4.183 10 20 IICD CN(C(=O)NCCCSc1nccs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806958790 MVXXNXYJHCQPPJ-HUUCEWRRSA-N 432.398 4.232 10 20 IICD OC[C@@]1(CNCc2cc(Br)cc(Br)c2O)C[C@@H]1c1ccccc1 811512264 JMJKDBONTRFGQC-QAPCUYQASA-N 441.163 4.173 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Br)c1 812479490 DNKFUVGQZJMEJI-HNNXBMFYSA-N 435.337 4.235 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 813871677 QCNMCIPHSYDUTP-XIKOKIGWSA-N 439.375 4.450 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1O 814177376 ZUTXRIIVVRSDDT-YVEFUNNKSA-N 426.391 4.290 10 20 IICD CN(C)c1ccc(CN(C(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)C2CC2)cc1 914439895 PMJDZIGMJLRNSJ-UHFFFAOYSA-N 441.988 4.144 10 20 IICD COCCOCC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C(=O)OC 914527665 TWUHLWQMPFMTHU-UHFFFAOYSA-N 432.325 4.418 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 918565427 HPKIBZOXVPAROU-UHFFFAOYSA-N 431.536 4.146 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 919914349 GSEJLYYKELLYDK-JOCHJYFZSA-N 439.556 4.135 10 20 IICD COc1cc(Br)cc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1O 1320497301 HJAFKYHXYOLWGJ-IBGZPJMESA-N 431.330 4.111 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 21958442 PAYDKCKVTAAMAL-QGZVFWFLSA-N 449.507 4.245 10 20 IICD CC[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc(O)c(O)c4)n3C)cc2C1 23541214 MVVGKAFBVKEWQG-LBPRGKRZSA-N 429.567 4.445 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 24187408 GONIGDJNEUJPLX-UHFFFAOYSA-N 440.565 4.372 10 20 IICD CCCC(=O)NC[C@H]1CCCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 726171982 UFYJGCTVYSFEHT-LJQANCHMSA-N 429.992 4.445 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1 727249574 BTABKTLKBHXDQZ-UHFFFAOYSA-N 446.550 4.115 10 20 IICD CCOc1cc(Br)c(NC(=O)NCc2cccc(OC)c2O)cc1OCC 729561481 AAZQCVPVNURTHS-UHFFFAOYSA-N 439.306 4.282 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1 731016412 JFIHSKFBSUNZEZ-QFIPXVFZSA-N 437.559 4.231 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCCN(c2ccccc2)C1 734666868 NFLBLWLUMSOIBV-LJQANCHMSA-N 444.526 4.225 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCCCc2ccc(Br)cc2F)c1 734866632 DMHLMASQSMFVPG-LBPRGKRZSA-N 425.298 4.295 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 743808626 AHJSRIRCQRJGKX-QGZVFWFLSA-N 445.357 4.056 10 20 IICD CCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1-c1ccccc1F 745238452 FVLOBSMLROOMJG-UHFFFAOYSA-N 446.482 4.416 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOc1ccccc1OC 745801499 FALLEKIMVOJSQB-UHFFFAOYSA-N 437.334 4.164 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nnc(O)c4ccccc34)c2C)cc1C 745883469 GDTIVXSSQFLRCX-UHFFFAOYSA-N 429.476 4.399 10 20 IICD COC(=O)c1ccc(OC(C)C)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 746670511 ASMPJNWMAQYBIP-IBGZPJMESA-N 442.512 4.179 10 20 IICD CC(C)CN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746945924 HHPTVHFFAPZVDT-UHFFFAOYSA-N 431.527 4.294 10 20 IICD C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](OC1CCOCC1)c1ccccc1 747402315 AMZISQDCGJVYKV-DFBJGRDBSA-N 437.584 4.194 10 20 IICD COc1cc(NC(=O)NCc2ccccc2O)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 748444263 UCXJOBARHNKXBG-HZPDHXFCSA-N 441.528 4.134 10 20 IICD COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)s1 749008002 QZDKIUABDYJZPH-UHFFFAOYSA-N 438.552 4.084 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c2C)cc1 749067434 IWWNVCYKNWBLNG-LJQANCHMSA-N 432.568 4.453 10 20 IICD CC(C)[C@H](CCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1)NC(=O)OC(C)(C)C 749574872 KYYAWXSGBZWNHY-NRFANRHFSA-N 430.593 4.144 10 20 IICD C[C@H](NC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(N2CCOCC2)cc1 753028919 XBGWTJSRRNNKBP-LBPRGKRZSA-N 440.288 4.447 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccccc3-c3nncn3C(C)C)CC2)cc1 753548294 ZEAGVWSXEPXTJB-UHFFFAOYSA-N 434.544 4.279 10 20 IICD COc1ccc(N2CCN([C@H](C)c3nc(Cc4ccc(Cl)cc4)no3)CC2)cc1F 753857907 RADGPIOMYGXQFG-OAHLLOKOSA-N 430.911 4.345 10 20 IICD CCc1cc(N2CCC[C@@H](N[C@H](C)c3cc(Br)cc(Cl)c3O)C2)ncn1 756710958 HHLPQSPAQUCGAT-IUODEOHRSA-N 439.785 4.480 10 20 IICD Cc1noc(C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2)n1 759874709 JFTBEDOUDLHPDX-HSZRJFAPSA-N 433.556 4.494 10 20 IICD Cc1nn(CC(F)(F)F)cc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 764189033 SGBDIMDWNQTSQM-UHFFFAOYSA-N 437.393 4.340 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 764854893 JQOIVIWBBIBBTB-MRXNPFEDSA-N 449.960 4.460 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1OC 764986390 DJJKKZKIWTWPTL-SFHVURJKSA-N 443.563 4.190 10 20 IICD CC[C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765978861 QLGADUZFZCVMGJ-IBGZPJMESA-N 441.424 4.339 10 20 IICD C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 768253808 UJDYOZIAJDTHSX-KRWDZBQOSA-N 448.552 4.402 10 20 IICD Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2cccs2)n1 768420929 JNOWGNUMKBVKMU-AWEZNQCLSA-N 432.496 4.149 10 20 IICD CCOc1ccc(C2=CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 768702148 PJTUJOCFLLPTTD-UHFFFAOYSA-N 439.531 4.060 10 20 IICD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NCc1cccc(Br)c1O 772670933 CGRDGSIBHBZNMV-UHFFFAOYSA-N 437.244 4.155 10 20 IICD C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(N(C)C)cc1 773000871 QEMFQRINJDLPNA-AWEZNQCLSA-N 427.599 4.377 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1)c1ccc(N(C)C)cc1 773854886 CTZZQOYRJKNSHO-QGZVFWFLSA-N 434.565 4.256 10 20 IICD CN(CC(F)F)C1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775725368 WSKIIZAMJSJUEY-UHFFFAOYSA-N 442.142 4.079 10 20 IICD Cc1ccnc2c(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cccc12 777665603 MJCQTGGYSATSDU-UHFFFAOYSA-N 439.518 4.239 10 20 IICD Cc1cc(CC(=O)Nc2cn(C)cc(Br)c2=O)c(C)n1-c1ccc(Cl)cc1 781843245 VWTKKZAPJXWPCU-UHFFFAOYSA-N 448.748 4.390 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1 782424080 XUDDQPABDRHGDI-UHFFFAOYSA-N 447.535 4.227 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCOC4=O)c3)cc2Cl)C1 800048473 BZYKLENBNMBTSL-MRXNPFEDSA-N 427.932 4.463 10 20 IICD COc1ccc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2)cn1 801869126 UBOQUTZRIXFVNB-UHFFFAOYSA-N 432.524 4.224 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccc(C(=O)Nc2ccccc2)c1 803213703 HTEPMWWCUUEXFI-UHFFFAOYSA-N 425.282 4.337 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3nc4ccccc4s3)cc2)CC1 804163142 BPVTXXLQNSFQJD-QGZVFWFLSA-N 436.581 4.026 10 20 IICD COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O 805135186 PJRWLDMWSBBDGI-UHFFFAOYSA-N 446.333 4.179 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1 812903626 VPBVJAJLJLIMIP-UUOWRZLLSA-N 425.573 4.368 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 915832112 URMGPVNSUJAIMW-UHFFFAOYSA-N 427.936 4.454 10 20 IICD CCN(Cc1ccccc1Cl)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 916197961 CLMXFJNBQVKFKN-UHFFFAOYSA-N 445.007 4.092 10 20 IICD COc1ccc(N2CCCN(CC(=O)N[C@H](c3ccc(C)cc3)c3cccs3)CC2)cc1 917089993 RWGFQRFEJYLYJQ-AREMUKBSSA-N 449.620 4.483 10 20 IICD COc1ccc(N2CCCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)cc1 917090005 SQSSNFSINUAGMO-VWLOTQADSA-N 435.593 4.175 10 20 IICD O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 917845031 MHNAYTPAXVCJLN-UHFFFAOYSA-N 433.942 4.157 10 20 IICD C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)o1 918220959 NOYJAZBVXKMYQB-KKSFZXQISA-N 441.547 4.377 10 20 IICD CC(=O)NCCCc1ccc(C(=O)COC(=O)c2sccc2-n2c(C)ccc2C)cc1 919566742 UUUOPPVFOQIDJN-UHFFFAOYSA-N 438.549 4.264 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 919895860 WUBDNANJPYUEDE-RUZDIDTESA-N 435.568 4.029 10 20 IICD C[C@H]1CCc2nc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)sc2C1 1319628003 HFKSHDRTSBVYRM-AWEZNQCLSA-N 425.520 4.413 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(Cc4ccc(F)cc4)n3)CC2)cc1 1320395342 VDBSNTHDESVTDK-UHFFFAOYSA-N 425.529 4.234 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)cc1 27156154 NDTJJLRFBWHJOA-UHFFFAOYSA-N 433.552 4.212 10 20 IICD CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)c(F)c1 303229635 YCABGVFOVOLXEI-UHFFFAOYSA-N 444.510 4.270 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](n3ncc4ccccc43)C2)C1 436025925 IOEAAICQOUKZAX-NRFANRHFSA-N 441.579 4.231 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccncc2)SC1=S 727176006 CUUJEWNHVFALMS-MOSHPQCFSA-N 441.622 4.450 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c(C)c1 727244859 JQUFZCCYTRQDDZ-UHFFFAOYSA-N 449.529 4.416 10 20 IICD COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 727251459 ZJBMIZTWEUBAFZ-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O 729063651 KGIIWWUQRKCMRH-GFCCVEGCSA-N 440.418 4.024 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731044108 NFBDDRINBOWDLC-HSZRJFAPSA-N 443.588 4.034 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(C(F)(F)F)CCCCC1)c2[N+](=O)[O-] 735248744 FCEZEWMFRUENRO-UHFFFAOYSA-N 446.381 4.365 10 20 IICD C[C@H](OC(=O)[C@H](C)c1ccsc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 738834135 IHESIEOTRCVJOX-KGLIPLIRSA-N 433.485 4.197 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 743326882 ATHSGJQVRMIOIB-UHFFFAOYSA-N 438.568 4.453 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1 746514043 ZPZOCFGNCQSAMN-PBHICJAKSA-N 434.367 4.115 10 20 IICD C[C@H](SCC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc2ccccc2[nH]1 746589354 XMGFTDNJVGEBMV-INIZCTEOSA-N 426.611 4.227 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(N2CCCCC2)c(Cl)c1 748987116 BKUIUDFJDMLYQR-UHFFFAOYSA-N 428.964 4.489 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCCCSc1nccs1 749730828 WTHZLMPRVYDQIL-UHFFFAOYSA-N 441.578 4.268 10 20 IICD CC[C@@H](C)c1nc([C@H](C)NCc2cc(Br)cc(Br)c2O)n[nH]1 754155534 XTHHRJPXUAJPLZ-BDAKNGLRSA-N 432.160 4.400 10 20 IICD COc1cc(N2CCN(C(=S)Nc3cccc(Cl)c3C)CC2)cc(OC)c1OC 758914167 AUJARMJCQFFPGT-UHFFFAOYSA-N 435.977 4.193 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 764252341 IDMHEHJTIWSRQP-UHFFFAOYSA-N 447.583 4.403 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)c(F)c(F)c1 765278637 AFBHWNWUBQLNKG-HNNXBMFYSA-N 445.464 4.210 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768014551 ZCWDIBAYVFWNGB-UHFFFAOYSA-N 434.496 4.249 10 20 IICD O=C(CCC(=O)c1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 768995294 HRCQEIVAVFUSBR-OAHLLOKOSA-N 437.874 4.085 10 20 IICD Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1N1CCCS1(=O)=O 770584800 CEBWSTJJCKZPCO-UHFFFAOYSA-N 444.557 4.046 10 20 IICD Cc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OCC1CCOCC1 772054683 SXVJNFLXGPJRII-UHFFFAOYSA-N 444.915 4.128 10 20 IICD C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCOCC2)cc1 772424535 VIQYXYMBPOTJQL-INIZCTEOSA-N 425.529 4.206 10 20 IICD CN1C(=O)CCc2cc(/C=C3/SC(=S)N([C@@H]4CCOc5ccccc54)C3=O)ccc21 773896466 FYZBUMUUKUGYGU-JZQBQCRLSA-N 436.558 4.321 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)CC2)cc1 776838009 ZFIRVCJIZWOHQE-UHFFFAOYSA-N 438.568 4.263 10 20 IICD Cc1cc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)s1 787847265 KPJVCLBTLICJDO-KRWDZBQOSA-N 439.581 4.430 10 20 IICD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788932925 RWMQTFGIDHXBLM-IAGOWNOFSA-N 447.501 4.230 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3NC3CCCCC3)cc2)CC1 795311946 YZVWLTROIZMAMA-UHFFFAOYSA-N 434.584 4.030 10 20 IICD O=C1CNC(=O)N1c1cc(NCc2ccc3c(c2)CCN3Cc2ccccc2)ccc1F 796361297 GCWKZHQCFUURFB-UHFFFAOYSA-N 430.483 4.057 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(COCc2ccco2)c1 797740515 ZKPMYEOBPISCMY-UHFFFAOYSA-N 444.871 4.474 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3cc(F)cc(C)c3C2)c([N+](=O)[O-])c1Br 799979572 IPDLGOIGERUTLW-UHFFFAOYSA-N 440.225 4.284 10 20 IICD C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 806494216 NDJKJMBAEUGXGF-UCFCWBNQSA-N 434.584 4.071 10 20 IICD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCCc1ccc(O)c(O)c1 807107442 ZCQORZXOADTKSV-FQEVSTJZSA-N 428.529 4.049 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807670794 INOYYEIWOKCWAJ-OAGGEKHMSA-N 435.490 4.257 10 20 IICD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807675693 ZWPDRQZMBULOLZ-PGRDOPGGSA-N 425.573 4.232 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCC(F)(F)C3)cc2Cl)C1 807953547 UZDRKWAJKMWFIR-RDJZCZTQSA-N 441.950 4.134 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc4c3OCC(=O)N4)cc2Cl)C1 810260062 CTILQYCRRDUOBH-AWEZNQCLSA-N 428.920 4.229 10 20 IICD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 810391226 YOXPPAIYTPWXCD-UHFFFAOYSA-N 425.485 4.163 10 20 IICD CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 813291437 NGWVKKJLJYEBTK-UHFFFAOYSA-N 445.387 4.093 10 20 IICD CNC(=O)c1cc(Oc2cccc(NCc3cccc(Br)c3O)c2)ccn1 813790933 KGHWRAQLCMESNK-UHFFFAOYSA-N 428.286 4.314 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1)[C@@H]1C[C@@H]1C 815594844 ZNMCFRZOLKOHPX-BXKMTCNYSA-N 448.567 4.192 10 20 IICD CC(C)N(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C1CC1 914473971 ZRFJECSHQGKYQN-DHDCSXOGSA-N 439.400 4.050 10 20 IICD CC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916677378 LTNJRGRVGKYGFK-HXUWFJFHSA-N 425.529 4.134 10 20 IICD C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C[C@@H](C)O1 916694468 CCAMQYLNJNVHGC-SBHAEUEKSA-N 439.556 4.219 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)n1 917709217 FANXDYHZJYAJKL-RTBURBONSA-N 436.531 4.172 10 20 IICD CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 917898449 ZJQKPWSSGLXBEH-UHFFFAOYSA-N 429.317 4.365 10 20 IICD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1C 917924805 ABRVRIMITVDXOL-UHFFFAOYSA-N 448.482 4.353 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3coc(-c4cccs4)n3)cc2F)C[C@@H](C)O1 918200393 GILASJDRKNYNQB-HUUCEWRRSA-N 444.532 4.155 10 20 IICD CC(C)c1nc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2o1 918221232 RIPOEVRYWWJABH-UHFFFAOYSA-N 426.492 4.373 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(OCc2cn3ccccc3n2)c1 918372332 YRHYMFKSHCEZDF-UHFFFAOYSA-N 428.492 4.002 10 20 IICD CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1Cc2ccccc2C1 919867967 HSJLHDBADDDJCY-XMHGGMMESA-N 442.631 4.355 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)CC2)cc1 1253863942 PANDXUYZQVAPEO-UHFFFAOYSA-N 429.520 4.045 10 20 IICD O=C(CCc1ccccc1F)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791982547 VGEBNZIIEUQMGC-UHFFFAOYSA-N 449.482 4.012 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)cc1 1801324269 OHHXQKCQLZZEGR-WWJHYOKWSA-N 447.604 4.221 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(F)c3)C2)cc1 1844898202 JXBDONARKQRWNF-UHFFFAOYSA-N 431.511 4.364 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 19283922 ANPHFXLLUJKRKG-UHFFFAOYSA-N 446.580 4.236 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1F 97554463 MNFMPKSVBDFSOX-UHFFFAOYSA-N 444.532 4.139 10 20 IICD Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1NC(=O)c1ccco1 301993753 DKJHYOCZBRRPNF-HXUWFJFHSA-N 434.492 4.367 10 20 IICD Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1cccc(C(F)(F)F)c1 437010048 NIXMHMAGWXHXQR-UHFFFAOYSA-N 430.430 4.305 10 20 IICD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)o1 726048300 GVBUEFDPCYUTPC-UHFFFAOYSA-N 441.465 4.035 10 20 IICD CN(C)c1cc(C(F)(F)F)nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 726593806 CNQLYVPZJGVXHS-UHFFFAOYSA-N 431.409 4.244 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 729061523 GTRPWUDJTJEAAQ-CYBMUJFWSA-N 443.550 4.133 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1 729862530 BRPZGVSWWABHDP-FDDCHVKYSA-N 432.520 4.448 10 20 IICD CCn1c(S)nnc1[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 730091907 VDGNHDALFDFIGD-KRWDZBQOSA-N 439.585 4.023 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1F 731345447 VNVAECPTYMITJG-UHFFFAOYSA-N 425.548 4.408 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN(C)C(=O)c2cccs2)cc1 731885159 LGCKDGAYWPRQMP-UHFFFAOYSA-N 437.565 4.128 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c1 734936318 JCHIYPZHBBQCSZ-UHFFFAOYSA-N 427.501 4.250 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 734937446 WLGATWRVGCOKAR-HKBQPEDESA-N 443.613 4.234 10 20 IICD Cc1cc(C(=O)COC(=O)COC2CCOCC2)c(C)n1-c1ccc(C(C)(C)C)cc1 735364158 NCXSAYOGUJQYQN-UHFFFAOYSA-N 427.541 4.313 10 20 IICD Cc1nc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)sc1C 737036669 FYUZFCUOHXHMDO-OKILXGFUSA-N 434.581 4.247 10 20 IICD CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 741701715 AUIPJMUWYNUXEJ-QHCPKHFHSA-N 448.954 4.316 10 20 IICD CC(=O)NC[C@H]1CCCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 742615574 OHEIESRSGAJTMG-PKOBYXMFSA-N 447.526 4.115 10 20 IICD C[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749359 GEVZVJQKULLPHM-VGSWGCGISA-N 443.563 4.453 10 20 IICD O=C(Cc1csc(-c2cccnc2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742806158 PZVLJJNNXYXBHF-MRXNPFEDSA-N 444.507 4.134 10 20 IICD COc1ccccc1OCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743593307 QFSYGJSCFPDCFH-KRWDZBQOSA-N 449.498 4.034 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 743912630 AEQNVAWFSIZUSC-UHFFFAOYSA-N 431.536 4.033 10 20 IICD Cc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c(C)n1-c1ccccn1 748783025 LQWFLKWDZSHSIB-HXUWFJFHSA-N 440.341 4.465 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1I 751385694 ORFBXRBMQOIDSQ-UHFFFAOYSA-N 438.284 4.351 10 20 IICD CN1CCc2cc(/C=C(\Cl)c3nnc(C(=O)NCc4ccc(F)cc4)s3)ccc21 751520477 BCBPMZACVDRNEP-BOPFTXTBSA-N 428.920 4.336 10 20 IICD Cc1cc([C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccnc2)ccc1F 753623423 HHQSZONSMJSRRM-DHLKQENFSA-N 432.543 4.110 10 20 IICD C[C@H](NC(=O)NCCc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1 756933507 RQCZGXDHRMBREL-INIZCTEOSA-N 437.462 4.025 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 762669542 KMPVRPRAEVERIC-KUUHDYPXSA-N 435.927 4.247 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc2ccccc2nc1N1CCCC1 764630590 TZDBIGSQYALNPO-UHFFFAOYSA-N 435.597 4.047 10 20 IICD CCN(C)c1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765282598 VPGWCMFPIOJMNQ-HXUWFJFHSA-N 448.590 4.249 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OCC(F)(F)F)cn1 765426637 MPPFXMYZFBZBKV-UHFFFAOYSA-N 433.224 4.153 10 20 IICD C[C@@H](c1ccccc1)N(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O 765492270 HYEHIBZUJKRFPY-IBGZPJMESA-N 425.550 4.438 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 765643053 DVVIMRVWJNYFEM-CYFREDJKSA-N 445.554 4.136 10 20 IICD COc1cc(Br)cc(CNC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1O 769420251 QLMMIZSPWIWYKP-LBPRGKRZSA-N 448.279 4.123 10 20 IICD CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772121096 WTJUQXUDYJSYGO-HXUWFJFHSA-N 425.558 4.161 10 20 IICD Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773623363 HUDQIIYPHOTQFC-HNNXBMFYSA-N 447.377 4.213 10 20 IICD CC[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)ccc1O 775513682 SZVFJDDFLJBRCU-AZUAARDMSA-N 431.374 4.429 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 777666908 LUYPFQSHUSWBGD-UHFFFAOYSA-N 448.482 4.006 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc(-c2ccccc2F)s1 777828002 GDRNGBOXRJEDOU-UHFFFAOYSA-N 434.876 4.124 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783485230 IBMBZKJPVSMGTO-KRWDZBQOSA-N 441.491 4.360 10 20 IICD O=C(NCCc1c[nH]c2cc(F)ccc12)C(=O)N(Cc1ccccc1O)C1CCCCC1 786751180 AIUYZWOLMXCOPW-UHFFFAOYSA-N 437.515 4.033 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2nc(Br)ccc2F)cc1 791579063 YISWUNLVJNHSQE-UHFFFAOYSA-N 434.231 4.254 10 20 IICD COCc1ncsc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C 792752657 FQGMTQFIOKUAJP-UHFFFAOYSA-N 430.551 4.459 10 20 IICD COc1ccc(N2CCN(c3nnc(CC(C)C)n3Cc3cccs3)CC2)cc1F 802697550 XLSVYOXPWXHSFJ-UHFFFAOYSA-N 429.565 4.061 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O 805135146 HCZAZFXIGDQMBN-UHFFFAOYSA-N 445.368 4.050 10 20 IICD c1ccc(CN2CCc3cc(CNCc4ccncc4OC[C@@H]4CCOC4)ccc32)cc1 808436512 YTVWNWNAVKBFSN-HSZRJFAPSA-N 429.564 4.349 10 20 IICD CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 918129416 FPVOPRIUVMHNHT-UXHICEINSA-N 426.513 4.005 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1c(Cl)ccc2nonc12 1117507430 LCYRQBPEPIMPSL-NSHDSACASA-N 439.946 4.179 10 20 IICD Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1252409548 GBNJARVZIISQDR-INIZCTEOSA-N 446.498 4.089 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(CCc4cccs4)C3=O)cc2F)CC1 1318270202 KYIKNELEDRYBDD-RGEXLXHISA-N 447.626 4.083 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccccc3COc3ccccc3)no2)c1 1320189645 LEXDWQOIIFNQPP-UHFFFAOYSA-N 437.477 4.060 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(Cl)s1 1800715895 VPDYALLQWKEAIE-ZSBIGDGJSA-N 441.336 4.032 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(Cl)nc2)cc1 1847175762 HMHLTBXHKXZPCX-VXKWHMMOSA-N 448.954 4.272 10 20 IICD Cc1c(CNC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)n(C)c2ccccc12 472222514 NZJNVSVOHJHLCI-UHFFFAOYSA-N 428.540 4.361 10 20 IICD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472763485 AVFSZUQLRZVFSV-GOSISDBHSA-N 432.568 4.429 10 20 IICD O=C(Nc1ccc(-c2nc(CCCOCCc3ccccc3)no2)cc1)C1=S=CC=C1 546436290 RJPRIHZCFYKPTC-UHFFFAOYSA-N 433.533 4.145 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)OC)o3)SC2=S)cn1 726197543 UKBICNKHFJVWFY-ZDLGFXPLSA-N 439.518 4.355 10 20 IICD O=S(=O)(c1cc(F)ccc1NCc1ccc(N2CCSCC2)cc1)C(F)(F)F 726595630 DZEVASRPNWKCJM-UHFFFAOYSA-N 434.480 4.285 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 727168649 SYSFMLOCPVADJE-UHFFFAOYSA-N 429.567 4.073 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)c(C)c1 727244355 YQRQCTVTERSGGO-UHFFFAOYSA-N 427.555 4.126 10 20 IICD COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1 727248374 CLXTXSDJRWXUFW-UHFFFAOYSA-N 446.550 4.286 10 20 IICD Cc1cc(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(C)n1-c1ccccn1 728965183 QYSJUTXEHHYSHB-HXUWFJFHSA-N 437.849 4.322 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccn1 729226597 JXOWFNQHQJLIFS-FQEVSTJZSA-N 436.478 4.278 10 20 IICD COc1ccc(-c2noc(CCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)n2)cc1 731016597 NLMXRFVTGCHELF-UHFFFAOYSA-N 434.540 4.231 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)ccc21 731544165 VMGRIEBIEJRDMA-QHCPKHFHSA-N 427.976 4.378 10 20 IICD COc1ccc(CCN(CC(C)C)C(=O)NCc2ccc(N(C)C)cc2C)cc1OC 734687399 YQVIVAYCMWQJHQ-UHFFFAOYSA-N 427.589 4.489 10 20 IICD CCCC[C@@H](CC)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 735250505 JFQCVDFNJMQPST-LJQANCHMSA-N 427.568 4.165 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 741436021 UCZVJJSQBYAJKS-NRFANRHFSA-N 430.593 4.122 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(Br)c3)cc2F)C[C@@H](C)O1 742558052 ZUKUPIQMNQGFHJ-CHWSQXEVSA-N 439.300 4.271 10 20 IICD Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1C(C)(C)C 742753583 KIKQYWUGIOQJNB-HXUWFJFHSA-N 443.592 4.008 10 20 IICD O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1CCc1ccccc1 743278944 CAMKNEPWAMKPHA-MFOYZWKCSA-N 435.473 4.461 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccc(Br)cc1 743808523 ZOYNKSMZEDJAGV-UHFFFAOYSA-N 443.135 4.345 10 20 IICD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 748627456 YBJLSYCMQUTOGP-DVECYGJZSA-N 443.563 4.125 10 20 IICD Cc1cc(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)c(C)n1-c1ccccn1 748739993 WBMQCHYFRWXBCW-UHFFFAOYSA-N 446.595 4.290 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3nc4cc(Cl)ccc4s3)CC2)cc1F 753739464 SOQWJNUDSQJMNE-UHFFFAOYSA-N 433.936 4.379 10 20 IICD O=C(Nc1cccc(C(F)F)c1Cl)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 755192025 NEDQUSCQVUEHPU-AWEZNQCLSA-N 438.858 4.130 10 20 IICD CC[C@H](NCc1cc(Br)cc(OC)c1O)[C@H](c1ccc(C)cc1)n1cncn1 756043782 BMGGXLQHTZCMGB-ICSRJNTNSA-N 445.361 4.221 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)nc2)NC(=O)OC(C)(C)C)cc1 759188020 SHGXIBHPKVHDSU-HBAHQKBISA-N 444.963 4.196 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-c4ccccc4)c(C)c3)CC2)cc1 762647137 FZVDVTVTCKXBPS-UHFFFAOYSA-N 443.547 4.394 10 20 IICD C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccc(Br)c21 765255505 RAMIXIIHVASFAI-CEQIKUNHSA-N 442.401 4.489 10 20 IICD Cc1cc(CC(=O)NS(=O)(=O)CCCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1 766679197 VNUJKANKKANAMV-UHFFFAOYSA-N 436.883 4.079 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 774357367 SKMNGEYTIIBDJP-UHFFFAOYSA-N 442.924 4.200 10 20 IICD COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 775139504 GYRNXROKCQKZII-UHFFFAOYSA-N 432.479 4.481 10 20 IICD COc1ccc(O)c([C@@H](C)NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c1 775365870 ZLCBPXUYMJNGJE-IIBYNOLFSA-N 443.490 4.497 10 20 IICD CC[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Br)ccc1O 775533211 YHPZWUNDWIMGEF-IBGZPJMESA-N 433.346 4.119 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 775834964 XGAWNSGQSPMKHC-HUUCEWRRSA-N 439.541 4.462 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)N1CCc2ccccc2C1 777822217 DVCZCZNSUFYAIL-HXUWFJFHSA-N 443.547 4.250 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccccc2SC)nc1-c1ccccc1 780703179 MOFLZZLDCXICIV-UHFFFAOYSA-N 434.564 4.048 10 20 IICD Oc1c(Br)cccc1CNc1ncn(Cc2ccc(Br)cc2)n1 783639121 ZZSTXIPJKXPJMD-UHFFFAOYSA-N 438.123 4.169 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 784025126 ZJXAUPCDOQGDTH-UHFFFAOYSA-N 449.507 4.274 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3c(C)csc3C(=O)OC)n2)s1 785542515 DHGZQFCDWNEWQT-UHFFFAOYSA-N 428.582 4.391 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 788094735 RODBPKZMMIEXSN-PAXLWEDBSA-N 446.494 4.194 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 789059416 BVEXCQONKBGVLL-QGZVFWFLSA-N 441.547 4.097 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(OC(F)F)c(F)c1 790478538 PEOUKSFXYMPQJO-UHFFFAOYSA-N 442.440 4.286 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)cc1 793574977 LLRHUNOUQHFQOK-NEPJUHHUSA-N 430.339 4.499 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H](C)Cc3ccsc3)cc2Cl)C1 793804582 XMNJUJOADZGTID-HZPDHXFCSA-N 434.005 4.001 10 20 IICD Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1I 794019718 YPJGHNWELKVKAB-UHFFFAOYSA-N 442.322 4.001 10 20 IICD CC(C)Oc1cc(O)ccc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 794874862 OUJZPCGZCMLPLO-UHFFFAOYSA-N 440.315 4.117 10 20 IICD Fc1cc(CN[C@H](c2ncc[nH]2)C2CCCCC2)ccc1N1CCN(c2ncccn2)CC1 796703725 VBRFXLKGPZYFNG-QHCPKHFHSA-N 449.578 4.077 10 20 IICD CN1CCCc2cc(CNC(=O)N(CCn3ccnc3)Cc3cccc(Cl)c3)ccc21 797441063 NRQNADCIRUOKJU-UHFFFAOYSA-N 437.975 4.331 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4ccn(C)c34)cc2Cl)C1 800636009 DDXGXMQUDYQALO-INIZCTEOSA-N 438.959 4.323 10 20 IICD CCOCN(C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1c(C)cccc1CC 801526922 AEDLLOCAEWFFOM-OAQYLSRUSA-N 439.600 4.072 10 20 IICD CCOC(=O)[C@H]1CC[C@@H](NCc2ccc(N3CCN(CC)CC3)c(F)c2)c2ccccc21 802301358 HPIQOEBFOSREIG-LADGPHEKSA-N 439.575 4.239 10 20 IICD O=C(NCCCSc1nccs1)N[C@H](c1cncc(Br)c1)C1CC1 806958226 FBVCCIIVJLDTLA-AWEZNQCLSA-N 427.393 4.233 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 916148380 CNNDMVXESWZVKA-UHFFFAOYSA-N 436.577 4.389 10 20 IICD O=C(NCc1ccnc(Oc2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916403222 XKMQMMJWBRUYJI-QFIPXVFZSA-N 433.508 4.470 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 916670433 NTVFYMMSFLBPAI-UHFFFAOYSA-N 434.334 4.388 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2C)cc1 916737011 VYMNALMULZQOOS-UHFFFAOYSA-N 433.508 4.006 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3cccc(Cl)c3)cc2F)C[C@@H](C)O1 917066901 XFEFRNPGDDXVDL-FGTMMUONSA-N 447.982 4.402 10 20 IICD C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918118946 WKDJLPWXWCAENM-YLJYHZDGSA-N 434.540 4.037 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 918439081 RBXSOYMGHMCENO-UHFFFAOYSA-N 443.572 4.066 10 20 IICD CC(=O)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1791541303 VHTMHKDSMFPVPV-CYBMUJFWSA-N 444.915 4.114 10 20 IICD CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1800715453 MMFWPSXWZHYTFB-FCGDIQPGSA-N 442.943 4.197 10 20 IICD COCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821158929 LYJCGLZFEWDTDD-QFIPXVFZSA-N 449.555 4.160 10 20 IICD CC(C)c1ccccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 10878833 VHLSWRSXJLRXGA-UHFFFAOYSA-N 427.456 4.381 10 20 IICD CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 18215355 HANSJIJMQPOGLC-UHFFFAOYSA-N 443.956 4.137 10 20 IICD COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC(=O)c1cccs1 26456045 LEHWVMGFRARLOO-AQTBWJFISA-N 428.535 4.432 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 27943427 GVHRRZOVVJGJCL-UHFFFAOYSA-N 443.956 4.345 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)CC2)cc1 106310286 NBSCQUDDJRQLLM-UHFFFAOYSA-N 431.536 4.248 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 303933568 QCQUNIWUDRFIFA-UHFFFAOYSA-N 429.948 4.043 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc1)C1=S=CC=C1 546272799 LJRBLHCEVQDOJP-UHFFFAOYSA-N 444.516 4.358 10 20 IICD Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c(C)n1-c1ccccn1 725727552 ZKGORUGXFGFAGG-HXUWFJFHSA-N 440.341 4.465 10 20 IICD CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 725875684 HSWBWJQXNVFUGM-HOIFWPIMSA-N 441.547 4.325 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCc2c(Br)cccc21 727943527 MVOWZUDULUTTGN-NRFANRHFSA-N 444.373 4.115 10 20 IICD CCOC(=O)c1cnn(-c2cccc(NC(=O)NCc3ccc(N(C)C)cc3C)c2)c1C 734517105 IXDBLYHGSCRBAU-UHFFFAOYSA-N 435.528 4.054 10 20 IICD COc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)Cc3ccccc3O)n2)cc1 735931086 UNAYOFXWLIKFQT-UHFFFAOYSA-N 433.464 4.205 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1NC(=O)NC(C)(C)C 740817589 KNJHFNWNRGWNTB-UHFFFAOYSA-N 440.613 4.398 10 20 IICD C[C@H](NC(=O)NC1(c2cccc(Br)c2)CC1)c1ccc(N2CCOCC2)cc1 741081866 ZRHSCUHLSLMWTA-INIZCTEOSA-N 444.373 4.335 10 20 IICD Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742804712 AVIVJZFWHMVCAX-GOSISDBHSA-N 426.467 4.181 10 20 IICD O=C(c1csc(I)c1)N(Cc1ccco1)Cc1ccccc1O 743429117 BCXOJAJKBJLYEZ-UHFFFAOYSA-N 439.274 4.494 10 20 IICD CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743529952 BTZXPOGJOCIVGF-DNVCBOLYSA-N 446.498 4.276 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3sccc3-c3ccc(F)cc3)cc2)C1 743868744 FXOMBDIQMUIJOV-GOSISDBHSA-N 437.540 4.186 10 20 IICD CCOc1ccc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)cc1OC 745469883 ZVCVCSACCWEPII-UHFFFAOYSA-N 437.334 4.294 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)COc1ccc(-c2ccccc2)cc1 748133562 HVKKHQCFAQNVRI-UHFFFAOYSA-N 432.520 4.000 10 20 IICD CCS[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 748805884 HUZYKPHZCFDMOD-KGLIPLIRSA-N 438.505 4.164 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)NCC3(c4ccccc4)CCCC3)cs2)cc1 751932302 YSEDQIUJTZCLRK-UHFFFAOYSA-N 449.576 4.101 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 753734637 YBNZVVJRJWYNLI-UHFFFAOYSA-N 435.499 4.394 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2CN2CCNC2=O)cc1 757923201 FCEIEEMKVFXKKN-UHFFFAOYSA-N 447.539 4.105 10 20 IICD Cc1cnc(C2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)s1 763196304 SIZLCIGZFZTFAN-IYBDPMFKSA-N 446.592 4.293 10 20 IICD Cc1c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1 765332442 XWYFZIFCIXHWEX-IRXDYDNUSA-N 425.964 4.478 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cc(OC(F)F)cc(OC(F)F)c1 765737708 WKTWCEXLKCCQHJ-UHFFFAOYSA-N 438.171 4.288 10 20 IICD CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C 766094002 MCHKNWCTCNMZGB-UHFFFAOYSA-N 431.945 4.216 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)ccc1Br 768914469 CZLCCMWTDKHZHM-HNNXBMFYSA-N 441.728 4.342 10 20 IICD CC[C@@H](C)n1c(SCC(=O)NCc2cccc(OC)c2O)nnc1-c1ccccc1 769504415 YAJIEESHFIXYCN-OAHLLOKOSA-N 426.542 4.039 10 20 IICD C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1c1nccn2cnnc12 771445934 JOCUAUTZGWGVJL-KRWDZBQOSA-N 441.499 4.282 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 773429331 MCCCMYGFNMIYCJ-VFNWGFHPSA-N 437.353 4.291 10 20 IICD C[C@@H](NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)cc(F)c1O 774397222 RKEWISDGRYEASL-MWLCHTKSSA-N 436.243 4.213 10 20 IICD C[C@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccc(N2CCOCC2)cc1 775254592 LFFJKMJFPFEDDP-HNNXBMFYSA-N 443.345 4.187 10 20 IICD COc1cc(OC)c(NCc2ccc(N3CCOCC3)c(F)c2)cc1Br 778187851 ULWLVJOOIHLREJ-UHFFFAOYSA-N 425.298 4.054 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 783004122 HDJOWKBDCLJCPE-XMMPIXPASA-N 436.987 4.333 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OCC(F)F 783317628 XXIUJABSTUJJPB-UHFFFAOYSA-N 433.499 4.081 10 20 IICD CSc1c(F)cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F 784648817 BPFCOWUEQCDOBL-UHFFFAOYSA-N 433.524 4.274 10 20 IICD CCc1c(NC(=O)NCc2ccc(OC)cc2O)cnn1-c1ccc(C(F)(F)F)cc1 797650006 DQTOKZAIERMNQQ-UHFFFAOYSA-N 434.418 4.489 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 799636610 TVCHSHQGOHYCHG-UHFFFAOYSA-N 443.506 4.166 10 20 IICD COc1ccc(Sc2nsc(NC(=O)NCCCSc3nccs3)n2)cc1 809922689 VFTFNMNROGWFMO-UHFFFAOYSA-N 439.613 4.458 10 20 IICD COc1cc(Br)cc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1O 814302442 FGGGUCFMFCSLQF-CYBMUJFWSA-N 435.318 4.361 10 20 IICD Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 915330597 UPQFSNWFFGXMMM-UHFFFAOYSA-N 425.554 4.170 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 915778636 MXRRVUPSKPUSQA-UHFFFAOYSA-N 429.948 4.230 10 20 IICD CCc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC1=S 917620814 OODHRMYIAXCKMY-NBVRZTHBSA-N 436.537 4.410 10 20 IICD Cc1cc(C(=O)NCCc2cn3c(n2)CCCC3)c(C)n1-c1cccc(Br)c1 918063003 WMZWKRZKBYOSLG-UHFFFAOYSA-N 441.373 4.362 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 918461425 BQCBGSOWUIGWTP-UHFFFAOYSA-N 445.519 4.165 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1 918741030 BICNGBATVASFNM-ZDUSSCGKSA-N 435.596 4.486 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 919924353 UMBWQKQFPXBNQL-UHFFFAOYSA-N 439.600 4.350 10 20 IICD C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 920880979 KKJKVYOKYRWGCC-INIZCTEOSA-N 449.414 4.396 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3c(C)cc(Br)cc3OC)CC2)cc1 920928329 MWVDCWOGFCYXPZ-UHFFFAOYSA-N 434.334 4.129 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)CC2)cc1 1116166168 ORCLAUDIMZCHJN-QFIPXVFZSA-N 445.604 4.254 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3ccc(N4CCOCC4)cc3)C2)CC1 1138494678 FKSJJRCRJITNTL-UHFFFAOYSA-N 429.605 4.136 10 20 IICD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccccc1 1792310830 SQXJOXUOGXQGIY-MRXNPFEDSA-N 431.492 4.044 10 20 IICD Cc1cc(-c2csc(NC(=O)CN3CCSC3=O)n2)c(C)n1-c1ccc(F)cc1 9658901 VMHNRBHKHLQTDD-UHFFFAOYSA-N 430.530 4.464 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(OCC(F)(F)F)c1 71927499 ZEYQWKYNJGZRTE-UHFFFAOYSA-N 439.503 4.180 10 20 IICD Cc1ccc(Cn2nc(C)c(CCC(=O)NCc3ccc4c(c3)CCCN4C)c2C)cc1 730176849 BBHPDRTYPIWKSR-UHFFFAOYSA-N 430.596 4.488 10 20 IICD CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1c(F)cccc1F 731015130 JBFZAGSUJKZIEW-QFIPXVFZSA-N 429.511 4.085 10 20 IICD Cc1csc2nc(CN3CCCc4cc(CNC(=O)OC(C)(C)C)ccc43)cc(=O)n12 731034964 PVPPPICUPYIGHU-UHFFFAOYSA-N 440.569 4.042 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1C 735392628 PHJBKUZZUQKABB-UHFFFAOYSA-N 431.536 4.203 10 20 IICD CC(C)=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 742601757 HXFLZXCJDHYYRR-VWLOTQADSA-N 449.595 4.156 10 20 IICD O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800713 LJHIQNNMFKJTKA-QGZVFWFLSA-N 448.470 4.174 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Br)cn1CC 743808306 SPTMZLNNVFFUDY-UHFFFAOYSA-N 430.140 4.401 10 20 IICD COc1cccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1O 745334725 YBFSSZMGOXIMGB-UHFFFAOYSA-N 428.492 4.253 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OCC2CC2)nc1 745788524 RIADHRGXOLMQFX-UHFFFAOYSA-N 434.334 4.070 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCOc2cc(OC)ccc21 745860617 ABNANVXHQFKOKI-QGZVFWFLSA-N 435.318 4.219 10 20 IICD CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2NC1=O 745932767 SFEBCTWMBMDARW-AOMKIAJQSA-N 436.556 4.297 10 20 IICD COc1ccc(I)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 751414005 VZLPQARDTSBSDZ-UHFFFAOYSA-N 447.276 4.355 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c1 752024123 CXMHRYNXYOOYBF-UHFFFAOYSA-N 449.526 4.151 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1 761967082 GYDYJQHKPRLWTF-AWEZNQCLSA-N 434.330 4.089 10 20 IICD CN1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 762585932 CRJRRIXBRXTTMG-CVDCTZTESA-N 442.966 4.348 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)n2)cc1 764952347 YZKKCFCIDGHSMU-UHFFFAOYSA-N 439.562 4.009 10 20 IICD Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)c1 765595588 NCLSNCBEYVYKEY-UHFFFAOYSA-N 430.976 4.333 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccc(-n2nccc2C(F)(F)F)c1 765736631 PYDSKZSTMXHLRZ-UHFFFAOYSA-N 440.219 4.289 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 765860975 WFACUMZOXYLJHB-UHFFFAOYSA-N 430.258 4.273 10 20 IICD CCCCCn1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)n1 767198613 IQVZCNHVRPQUKG-HDICACEKSA-N 445.583 4.134 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 769121567 OTOXOBAVXKXXSD-LJQANCHMSA-N 432.565 4.322 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1)Nc1cccc(F)c1 769208122 VDAUOVOXIHSNMA-AWEZNQCLSA-N 436.325 4.328 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 775535494 JQRHMGULFGTNDK-UHFFFAOYSA-N 443.569 4.234 10 20 IICD COc1cc(N[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc(OC)c1 776250889 XRIUMGQEZXUBFR-MJGOQNOKSA-N 426.561 4.117 10 20 IICD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(N2CC=CC2)cc1 776916632 NPXQNRAEXXMGLI-XMGLRAKGSA-N 444.579 4.040 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 778920134 XECCNJVVXYIPSK-UHFFFAOYSA-N 440.459 4.081 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1SCc1ccccc1 785297997 SUADYXYWQKRVOC-MRXNPFEDSA-N 436.533 4.076 10 20 IICD O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)Nc1ccc(N=Nc2ccccc2)cc1 786596564 LUTPXOWAQLFIOU-UHFFFAOYSA-N 431.374 4.499 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1 787454785 JJKPSWYBAKLAOG-UHFFFAOYSA-N 436.487 4.066 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 794972649 DPUDJURGBCFIHN-FCHUYYIVSA-N 448.485 4.214 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 799635945 CTHRKPVLBTVVKO-UHFFFAOYSA-N 437.546 4.466 10 20 IICD CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1 800035481 HWSZOTLTZGPDRV-UHFFFAOYSA-N 426.523 4.195 10 20 IICD COc1cccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1OCc1ccccc1F 801558690 ZSZUOWCEZDUPKJ-ACCUITESSA-N 437.467 4.496 10 20 IICD CCN(CC)C(=O)COc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806188133 YOHBPEYLXATZPJ-UHFFFAOYSA-N 440.327 4.268 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1 807513146 HKXMCTYBTLRHBY-UHFFFAOYSA-N 431.703 4.395 10 20 IICD CSc1nc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2s1 807513407 NEROOGYITIICAX-UHFFFAOYSA-N 442.349 4.286 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1 807690994 ZERVBOFWUCLZPR-OAQYLSRUSA-N 441.547 4.049 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 808527764 MDZAIXZJKRGHCV-UHFFFAOYSA-N 429.567 4.320 10 20 IICD C[C@H](Oc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F 808866620 CMDJEUNRCOWKJS-AWEZNQCLSA-N 441.425 4.314 10 20 IICD COc1c(C)cnc(CN2CCC(N(C)Cc3cccc(Br)c3O)CC2)c1C 809766162 WBCHBQODNZPBTO-UHFFFAOYSA-N 448.405 4.272 10 20 IICD CC(C)(C)OC(=O)N1CC[C@](C(=O)NCc2ccc(N3CCCC3)cc2)(C(F)(F)F)C1 813409454 KAWULPUHDCBCAC-NRFANRHFSA-N 441.494 4.093 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCNC(=O)c2ccsc2)cc1 914454878 FGGKBTMNRONXOY-UHFFFAOYSA-N 425.554 4.146 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)c1ccc(Br)cc1 914506791 SWKPXJXJFLMXTK-UHFFFAOYSA-N 446.389 4.072 10 20 IICD Cc1sc(=O)n(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1-c1ccc(F)cc1 915641123 JFFHVJTVMVVTGQ-UHFFFAOYSA-N 439.556 4.282 10 20 IICD Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 915850069 WCWWCCDDCJTFET-LICLKQGHSA-N 449.985 4.268 10 20 IICD Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(C)n(-c3cccc(Br)c3)c1C)C2 918047893 ILDFYBZZRUABCC-GOSISDBHSA-N 439.357 4.242 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@@H]1C1CCCC1 918074905 QRTNAPHWTCCVQE-HXUWFJFHSA-N 425.495 4.406 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)c2C)c1 918677984 PRQMULBTYQURLX-UHFFFAOYSA-N 441.528 4.334 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 918743296 VXROIAIOFXVUNX-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 919776972 ANXWAUMQFNEWGN-UWJYYQICSA-N 425.529 4.134 10 20 IICD CC(C)c1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1 919969761 FZEPDVGMEAOIMG-UHFFFAOYSA-N 432.568 4.134 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1c(Cl)ccc2nonc12 1117552238 WSVITGTVZFETKP-ZDUSSCGKSA-N 448.932 4.000 10 20 IICD CN1CCN(c2ccc(CNc3cccc(-c4nnc5n4CCCCC5)c3)cc2F)CC1 1319726076 CGHROFXGWWEGEO-UHFFFAOYSA-N 434.563 4.175 10 20 IICD CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671513 UNINTVFONKOOGN-SFHVURJKSA-N 446.551 4.350 10 20 IICD O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)s2)SC1=S 26156823 ZHMONBFXVSUEBC-NTUHNPAUSA-N 440.365 4.463 10 20 IICD O=S(=O)(c1cc(F)ccc1N1CC=C(c2c[nH]c3ncccc23)CC1)C(F)(F)F 726593511 AVTWJDUIRAVKPF-UHFFFAOYSA-N 425.407 4.289 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc(C)c1OC(F)F 726627848 RTNJYPADWKNRCF-OQLLNIDSSA-N 434.489 4.410 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3cccc(Br)c3)CC2)cc1 726713778 RWTNIXBPZLKNQS-UHFFFAOYSA-N 432.362 4.268 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2C2OCCO2)c(C)n1-c1ccc(Br)cc1 726944923 JCFOWFLMNYWJCZ-IBGZPJMESA-N 433.346 4.224 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 727243684 CYXOSLGGNXCQCU-UHFFFAOYSA-N 436.492 4.312 10 20 IICD COc1ccc(CCNC(=S)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 728793681 UYYGJAUPTTWIOW-UHFFFAOYSA-N 425.520 4.243 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 729045848 ZHLKESAKQDTQFM-MRXNPFEDSA-N 426.513 4.044 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 729046797 JCLGBUMCVGUDQK-LIRRHRJNSA-N 435.927 4.391 10 20 IICD CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 729048993 AWGORNJOVWZFNW-JOCHJYFZSA-N 436.600 4.146 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cc2F)CC1 730194978 UQFQFFVNOOFIRY-UHFFFAOYSA-N 444.601 4.012 10 20 IICD CN(C)c1ccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1F 730489264 SVWLTXFSCYERHC-UHFFFAOYSA-N 441.816 4.075 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(OCC(=O)N(C)C)c1 731108234 PXLMGUHUXMYINL-UHFFFAOYSA-N 438.572 4.020 10 20 IICD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 740800947 JYUMCEHQJYFKBI-SFHVURJKSA-N 429.586 4.396 10 20 IICD Cc1cc(CC(=O)NC2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 742448853 PARMJKZYGNKPFH-UHFFFAOYSA-N 427.898 4.433 10 20 IICD O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805574 MBPMNFNCRKDZNL-IBGZPJMESA-N 425.479 4.406 10 20 IICD CC(C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743115121 SZNTYLBNBMXNBD-GOSISDBHSA-N 446.498 4.217 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1 743283034 UPWVWJZIPCTQOB-HJHGFDQJSA-N 427.547 4.437 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 743718866 MONNPBZUJIVAAV-MRXNPFEDSA-N 447.622 4.252 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 744843713 SKYMTYMYMVQSNS-LDADJPATSA-N 447.557 4.474 10 20 IICD CCCO[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745905522 ORUIOGJXPLNYKX-HKUYNNGSSA-N 425.520 4.248 10 20 IICD CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1O 750821887 DATKBHJKBXFMAU-UHFFFAOYSA-N 449.320 4.347 10 20 IICD COc1cccc(-c2nc(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)[nH]2)c1 755788257 GGSXKVBTAHJWAJ-HSZRJFAPSA-N 448.567 4.281 10 20 IICD CC[C@H](N[C@H](C)c1ccc(Br)cc1O)c1ccccc1OCC(=O)N(C)C 756434043 TXTJGOBZDDTJJI-KDOFPFPSSA-N 435.362 4.424 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1O 757276933 PEBURQWKVJJRMX-MRXNPFEDSA-N 449.463 4.231 10 20 IICD COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)c(F)c3)s2)cc1 757626134 CNLBLMRXXJVMTJ-UHFFFAOYSA-N 427.501 4.144 10 20 IICD CC(C)(C)Oc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1[N+](=O)[O-] 764134557 HIECKCBNVPLOCR-QGZVFWFLSA-N 426.517 4.086 10 20 IICD C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCc2nccn2C)cc1 765286543 MBTBFMLOPCUHPT-FQEVSTJZSA-N 434.584 4.059 10 20 IICD C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N2CCCCCC2)cc1 765731628 KTTXFJQAHDRJSY-FQEVSTJZSA-N 435.616 4.015 10 20 IICD Cn1ccnc1SCc1cccc(C(=O)NCc2cccc(Br)c2O)c1 765763582 DUIZLJUYJPGLRY-UHFFFAOYSA-N 432.343 4.111 10 20 IICD CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)ccc2NC1=O 766380218 HKASTTZZWSTGAR-DMPWYTOCSA-N 427.520 4.184 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1 767755418 IUACFPQVBDULNJ-UZLBHIALSA-N 443.498 4.232 10 20 IICD COc1cc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c(O)cc1C 768446327 MVVCQNYIKRTHHZ-UHFFFAOYSA-N 433.346 4.322 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 775195690 SCVOZKJJZGMVDB-GOSISDBHSA-N 445.997 4.301 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cccc3cc(C)cnc23)nc1-c1ccccc1 775207149 HORYZNRQNQPFTH-UHFFFAOYSA-N 438.534 4.426 10 20 IICD COc1ccc([C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C(F)(F)F)cc1 775992107 PHWGASNASIAMPW-HXUWFJFHSA-N 437.462 4.229 10 20 IICD COc1ccc(N2CCN(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)CC2)cc1F 776945255 SUBBFTKFHPOAMT-QGZVFWFLSA-N 425.426 4.012 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 779479310 HVUVNFQHFCNFOV-UHFFFAOYSA-N 425.942 4.484 10 20 IICD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 780957453 ZYXOYAKCNNXXDK-UHFFFAOYSA-N 427.478 4.244 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(Br)ccc2F)cc1 784112859 PDJOGMWKPYSDJU-UHFFFAOYSA-N 434.309 4.332 10 20 IICD CC[C@H](C)Oc1cccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c1 785193769 GPALPZZFODVSDE-AWEZNQCLSA-N 449.345 4.319 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)N[C@@H](C)c1ncnn1C 788735165 DASFEZCUUWXFFP-KBXCAEBGSA-N 446.477 4.371 10 20 IICD COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c([N+](=O)[O-])cc1OC 790794092 KJPVPDPNLMPUSM-UHFFFAOYSA-N 435.521 4.230 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c1C 794248769 DXFNAFYIRABXOY-UHFFFAOYSA-N 427.451 4.398 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccncc2OCC(F)(F)F)cc1F 798406988 WWADVFKSAJGIFS-UHFFFAOYSA-N 428.430 4.007 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2Cl)C1 800571236 HDGFOLAQXABWLW-MRXNPFEDSA-N 435.996 4.450 10 20 IICD O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NCc1cc(Cl)cc(Cl)c1O 805122767 DOTZUVUVJCRJTJ-UHFFFAOYSA-N 427.675 4.402 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC2(Cc3ccccc3)CC2)cc1 807668972 NEZAMSYBLQROLH-UHFFFAOYSA-N 445.563 4.014 10 20 IICD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 807677917 DCZSCYJMIWLVRJ-QGZVFWFLSA-N 432.568 4.126 10 20 IICD COc1ccc(Cl)cc1-n1c(SCC(=O)C(C)=O)nnc1-c1cccc(Cl)c1 808010597 DYRYZMVQUBLYMT-UHFFFAOYSA-N 436.320 4.500 10 20 IICD C[C@H](CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 808776580 XQAQCWLIUBPWEJ-MRXNPFEDSA-N 435.490 4.040 10 20 IICD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2ccc(N3CCCCC3)cc2)c1 810172285 IHKGJEKGVAKGSZ-UHFFFAOYSA-N 432.568 4.336 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cc3nc(O)c4c(C)csc4n3)c2C)cc1 917261119 OXSHCXBCCDDJKC-UHFFFAOYSA-N 435.505 4.325 10 20 IICD Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1Cl 917916726 ARQNZKGQPUSDFB-UHFFFAOYSA-N 447.359 4.064 10 20 IICD CCOc1ccc([C@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OCC 918001183 FIHUGWIQRFLIMF-IBGZPJMESA-N 441.572 4.476 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 918111003 FDMXCLHPQIWLTB-RUZDIDTESA-N 429.564 4.190 10 20 IICD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 918140598 YAFZQMFXMGPJDI-GBXCKJPGSA-N 438.524 4.005 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc(CS(=O)(=O)NC)cc2)cc1 920180584 OSMDJVOBIMMHGS-UHFFFAOYSA-N 437.609 4.052 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(OC[C@@H]2CCCO2)cc1 920964928 QUPNYTVLJKQZMM-IBGZPJMESA-N 427.456 4.272 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 1116571526 XQAZUTPGYXIODU-FQEVSTJZSA-N 439.508 4.109 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1792013923 GNBLLGHPHNHJPR-GOSISDBHSA-N 446.956 4.395 10 20 IICD Cc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513023 YILKVFKRDMGVCF-VILGAWFOSA-N 442.563 4.363 10 20 IICD O=C(c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1)N1CCc2ccccc21 301273602 YSTNSAPMKCHPKO-UHFFFAOYSA-N 430.577 4.450 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2)CC1 303439614 FJRNVUJWEGMPPX-OAQYLSRUSA-N 440.975 4.181 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)ccc21 482517381 BAQQOWBOCWLZFR-UHFFFAOYSA-N 447.457 4.449 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)c2C)c1 727408715 GZEIVCASEQBWQZ-SFHVURJKSA-N 439.581 4.144 10 20 IICD Cc1ccc2c(Cl)c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)sc2c1 729179158 YEJFDIAABUALLF-MRXNPFEDSA-N 441.984 4.495 10 20 IICD CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 729576184 QFFATMFHZCXEGP-INIZCTEOSA-N 447.004 4.475 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCSC[C@H]3c3ccc(C)cc3)CC2)cc1 734944401 RCCQQHPGJBZTES-QHCPKHFHSA-N 425.598 4.472 10 20 IICD O=C(Nc1cccc(N2CCCC2=O)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743082213 PUSNBTQKHNFBHO-QGZVFWFLSA-N 444.482 4.205 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)Nc1ccc2nc(O)[nH]c2c1 748031712 GUEHVGFAYLVJAB-UHFFFAOYSA-N 447.442 4.425 10 20 IICD Cc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1C(F)(F)F 748809315 SGGOAFUPOGJVFF-UHFFFAOYSA-N 430.517 4.046 10 20 IICD O=C(NCc1ccc(OC2CCCCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 750331896 MFDMDLYBRCHWRT-UHFFFAOYSA-N 441.547 4.373 10 20 IICD CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751936508 IWZWTAMGKRXVCI-CVEARBPZSA-N 437.565 4.301 10 20 IICD C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752662454 BTMWQHWPTKHDLC-KBXCAEBGSA-N 439.528 4.130 10 20 IICD Cc1cc(-c2nnc(N3CC[C@]4(CCOC4)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752846089 UYYJQASYLGTSST-LVXARBLLSA-N 447.583 4.006 10 20 IICD COC(=O)COc1ccccc1[C@@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 753664759 QCVHGBFTWZDDFC-SJORKVTESA-N 434.483 4.159 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2cc(Br)cc(F)c2O)cc1 756359257 OTHALFNRDZWQFB-QRWLVFNGSA-N 437.353 4.326 10 20 IICD Cc1cc(CC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1 756699439 GNXKUSQUQBAICR-HNNXBMFYSA-N 431.439 4.084 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCC2CC2)c(F)c1 759312628 JVGRTBKOHPHJTM-QGZVFWFLSA-N 427.520 4.012 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)[C@H](C)c2cn(-c3ccccc3)nn2)c(C)n1-c1ccccc1 760303319 ALGGJLIDSSRVSR-LJQANCHMSA-N 448.548 4.034 10 20 IICD CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1 760742925 MOEGMVOLJRDWBN-DNVCBOLYSA-N 430.980 4.485 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)ccc1F 765281859 POUYLAWYFRIBGO-QFIPXVFZSA-N 441.501 4.461 10 20 IICD COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 765993811 NABKESUWGIINDG-JXFKEZNVSA-N 431.964 4.026 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 773183664 QDHJVXVFIRTGBW-LJQANCHMSA-N 447.461 4.451 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H](C)c3ccccc3Cl)cc2F)C[C@H](C)O1 775573061 XMTSXAQTUZCMDB-ULQDDVLXSA-N 433.955 4.060 10 20 IICD COc1ccc(CN(C)Cc2cc(Br)cc(Br)c2O)cc1O 775663006 IXOFHIZZFWAWJH-UHFFFAOYSA-N 431.124 4.263 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 787875448 QTCQCYYIKLEZLJ-UHFFFAOYSA-N 425.529 4.027 10 20 IICD Cc1nc2c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)cccc2o1 792200989 ZBDTUDBFLOQMCA-LJQANCHMSA-N 438.528 4.198 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(F)c(F)c3)cc2Cl)C1 807952651 IXOSVACRVYWGHZ-OAHLLOKOSA-N 449.929 4.129 10 20 IICD C[C@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1O 815598243 QAXQDHBMWARHAA-HNNXBMFYSA-N 442.503 4.187 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 916667583 MFLGNTVQNZLLMO-UHFFFAOYSA-N 427.398 4.007 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ncc(Cc2cccc(F)c2)s1 919772264 CPTFHECZXLHDNR-UHFFFAOYSA-N 426.517 4.031 10 20 IICD COc1ccc(N2CCN(C(=O)CS[C@H](C)c3nccn3-c3ccccc3)CC2)cc1 1329478815 HDEJHLRHLYIMBC-LJQANCHMSA-N 436.581 4.024 10 20 IICD Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c1 1790658830 PBZOSFFJQLGSNU-UHFFFAOYSA-N 435.455 4.002 10 20 IICD CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1799769370 MYRSDEBBEXSTDF-REPLKXPHSA-N 442.943 4.269 10 20 IICD Cc1ccc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)c1 10924243 BALHGPDMOHUUJX-UHFFFAOYSA-N 443.411 4.027 10 20 IICD CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1Cl 303801234 GXAFMFYJBHITJP-UHFFFAOYSA-N 435.977 4.223 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)sc1Br 437021806 SXJMTMDRXKZYGQ-UHFFFAOYSA-N 446.164 4.378 10 20 IICD CC(=O)N1C[C@H]2[C@@H](NC(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)CCC[C@H]2C1 808300534 PWEGHNFFBUKLFA-IBHRTIHJSA-N 447.023 4.023 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S[C@H](C)C(N)=O)cc2Cl)C1 800974817 RKOUJKRBNUPRPJ-HZPDHXFCSA-N 446.016 4.472 10 20 IICD Cc1c(CNC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n(C)c2ccccc12 472233615 YCXWBRFVQHPHKS-UHFFFAOYSA-N 438.959 4.198 10 20 IICD Cc1cc(-c2csc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)n2)c(C)o1 807512772 IKXIBMHGXXAMNX-UHFFFAOYSA-N 440.308 4.287 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C4CC4)n3)cc2Cl)C1 815635462 DASQIEXRRNPYAN-HNNXBMFYSA-N 426.948 4.104 10 20 IICD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc5ccccc5c4O)CC3)cc2NC1=O 816502639 KCIXZLMBUWIKDQ-INIZCTEOSA-N 430.504 4.360 10 20 IICD CC(C)Cc1nnc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 726693538 CIIDUMXSHKPEIW-UHFFFAOYSA-N 425.505 4.129 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)Nc3ccc4c(c3)OCCO4)CC2)cc1 726494457 TTWIFGMZDWIUHN-UHFFFAOYSA-N 435.496 4.015 10 20 IICD COc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1NC(C)=O 726699004 SFQCZXKVRVMFQJ-UHFFFAOYSA-N 448.470 4.046 10 20 IICD O=C(NCCCOc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 726237272 XKFXNVWINHYJOW-UHFFFAOYSA-N 438.355 4.098 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726272314 HVIUNFAWEWUWPU-ICSRJNTNSA-N 432.609 4.320 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)CC2)cc1 726708339 LFLZKCKDKOBKIW-DHIUTWEWSA-N 427.520 4.023 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(-c4ccc(OC)cc4)o3)ccc21 728637895 UHXKWIWRHSGNAW-UHFFFAOYSA-N 435.480 4.320 10 20 IICD COC(=O)c1c(C)[nH]c(C(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c1C 728928076 MCHXBIDXHBSOJT-UHFFFAOYSA-N 440.521 4.140 10 20 IICD COCCOC1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 735078057 VMQCXMVNPPLYDL-UHFFFAOYSA-N 436.499 4.006 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cc4c(C)cc(C)nc4s3)cc2F)CC1 730192956 TVUJBNRRGCYOOJ-UHFFFAOYSA-N 426.561 4.124 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 734687132 JWSJBHSFHIEZSP-JOCHJYFZSA-N 444.620 4.382 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 736943877 DNMADUCJVIWOQM-UHFFFAOYSA-N 431.581 4.306 10 20 IICD COc1ccc(Br)cc1C(=O)CCC(=O)NCc1ccc(N(C)C)cc1C 734468079 JFVFZLJNFXPVBY-UHFFFAOYSA-N 433.346 4.111 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1 734018878 LCTQDRLDELAWEU-UHFFFAOYSA-N 448.544 4.012 10 20 IICD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 913072212 IDJAYUWPHZKLRB-UHFFFAOYSA-N 431.829 4.451 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCCn2cnc3c(N)ncnc32)cc1 748853499 BUKBRSFNVDAONI-UHFFFAOYSA-N 444.499 4.137 10 20 IICD O=C(CCC(=O)c1ccc2ccccc2c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971119 PBUWDLREWUZUIK-UHFFFAOYSA-N 434.511 4.219 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c(C)n1-c1ccccn1 918131726 NQFHXHQLIYBGQA-UHFFFAOYSA-N 437.931 4.028 10 20 IICD Cc1cc(CC(=O)N2CCC(OCCCN(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 748746974 KFEKCHHWVNVMPY-UHFFFAOYSA-N 432.008 4.249 10 20 IICD Cc1nccn1-c1ncccc1CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 919696735 GYGSHCQBOHZDPB-UHFFFAOYSA-N 433.943 4.496 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)c(C)s3)ccc21 748719318 NNJFIWPUCSXBHN-UHFFFAOYSA-N 447.969 4.482 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(Cc1ccccc1)Cc1ccccc1 857440101 XIABBWCWDOWWFU-UHFFFAOYSA-N 432.539 4.380 10 20 IICD C[C@@H](NC1CCN(Cc2ccc(Br)cc2)CC1)c1cc([N+](=O)[O-])ccc1O 756658083 GNURWOFNXIOZJJ-CQSZACIVSA-N 434.334 4.378 10 20 IICD C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1cc(Br)cc(Br)c1O 756573293 ITYSNRJGWKIFED-LLVKDONJSA-N 448.199 4.216 10 20 IICD CC(=O)N(c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1)c1ccccc1F 759579731 OCICNEUXMFHLOB-CLFYSBASSA-N 428.441 4.135 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nn(-c2ccccc2F)c2c1CCC2 751303100 UKBIZKXBFXYXCI-UHFFFAOYSA-N 438.466 4.462 10 20 IICD Cc1cc(Br)ccc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O 759117340 LVGSTKMYTVTEJD-OQLLNIDSSA-N 433.352 4.262 10 20 IICD C[C@@H]1CCCCN1Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761006912 XNGWVYYHFGZOTJ-QGZVFWFLSA-N 441.959 4.384 10 20 IICD Cc1noc(C)c1COc1ccccc1C(=O)NCc1cccc(Br)c1O 765747441 NEUMBQLSQFRQRY-UHFFFAOYSA-N 431.286 4.269 10 20 IICD C[C@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1ccc(N2CCOCC2)cc1 760449404 HTSXIOJBMQBJAQ-IBGZPJMESA-N 430.552 4.142 10 20 IICD C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1 765299086 ZROMRFOZAGWVMC-LJQANCHMSA-N 444.019 4.076 10 20 IICD COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 768118736 NNPGGEMRJAEVKZ-HXUWFJFHSA-N 430.464 4.169 10 20 IICD CN(C)CCCC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 766804666 LVFZHPZJCJNWBG-LJQANCHMSA-N 438.563 4.020 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(-c4csc(C)n4)s3)CC2)cc1 765171489 ZKGPSBVAIFHJHW-UHFFFAOYSA-N 449.623 4.090 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1-c1ccc(F)cc1 765286240 JOUHDZCRTMWYNQ-INIZCTEOSA-N 426.511 4.271 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)c1ccc(N(C)C)cc1 773850223 XPSBNERENOXWFF-CYBMUJFWSA-N 425.476 4.223 10 20 IICD C[C@@H](NC(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1ccc(N(C)C)cc1 773209030 LGEYTSCBPWNGEJ-LJQANCHMSA-N 434.540 4.166 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)cc1 775565665 OEUOAAQMTVFDRT-STQMWFEESA-N 430.339 4.115 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1 770844533 QTYRAOACPQJJFI-GBXCKJPGSA-N 432.524 4.382 10 20 IICD O=C1/C(=C/c2ccc3cnccc3c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 779203869 MLDJSZZQGBNTRU-BKUYFWCQSA-N 434.542 4.450 10 20 IICD CCCn1c(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc2ccccc21 787270035 SPRXOEIQOYZIMC-UHFFFAOYSA-N 437.540 4.040 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 793781751 HPCTXGODDIDBPW-LJQANCHMSA-N 439.453 4.050 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3cccnc3)ccc2C)cc1F 796807634 JDCBEAPEGTVKEN-UHFFFAOYSA-N 434.515 4.297 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1ccc(-c2ccco2)cc1F 790533187 QOAOPPQYXWSKKY-UHFFFAOYSA-N 441.478 4.185 10 20 IICD Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCCCC2)cc1 793617648 RAMHCPGTPSTJCR-QFIPXVFZSA-N 439.604 4.204 10 20 IICD COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCN(C)CC3)c(F)c2)c1 1317902580 WTRFAOYRGCMSPV-VWLOTQADSA-N 446.526 4.357 10 20 IICD CC(=O)Nc1ccc(N[C@@H](C)c2cc(Br)cc(Br)c2O)nc1 1254736998 OHILFMUPQJIFBU-QMMMGPOBSA-N 429.112 4.444 10 20 IICD CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cc1 1800716609 MVKIYIGHBSCINM-REPLKXPHSA-N 442.943 4.440 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccc(C)cc3Br)CC2)cc1 110354732 IBWRJNMEFOIYGW-INIZCTEOSA-N 447.373 4.319 10 20 IICD O=C(c1cccnc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCC1 301475404 SFBJYPFBVWBHMS-QGZVFWFLSA-N 430.499 4.390 10 20 IICD CC(=O)c1cc(CN(C)CCc2cccc3ccccc23)c(O)c(CN2CCOCC2)c1 725777440 XICDWGUXINIPMW-UHFFFAOYSA-N 432.564 4.255 10 20 IICD C[C@H]1CN(c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2F)C[C@@H](C)O1 726467156 YIYIXHWHTVSDJA-HDICACEKSA-N 430.593 4.252 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(Cc2ccc(F)cc2)n1 726982384 RUVSZCJSRJHUAP-UHFFFAOYSA-N 439.556 4.012 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)c1 729061314 APCHDEPAJRICKM-GOSISDBHSA-N 432.520 4.392 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c1 729061711 IYSTUFYYZWNPDA-INIZCTEOSA-N 426.513 4.066 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)CC1 731016007 BLGGHCDYIXSHLS-UHFFFAOYSA-N 443.473 4.452 10 20 IICD COc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Br 732881804 JBLFSQDCTHIWKS-AWEZNQCLSA-N 434.334 4.177 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4cccc(C(C)C)c4)cc3O)CC2)cc1 741741471 CZAHZNIRPVVBPV-UHFFFAOYSA-N 434.540 4.062 10 20 IICD CCc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccccc1 742798919 DBVLUZVKRWHIBX-KRWDZBQOSA-N 440.494 4.435 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)c1 743284440 MTASOGDJUSGGEK-MOSHPQCFSA-N 444.553 4.467 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 746769441 AQNOJCJFNKSNEA-UHFFFAOYSA-N 441.553 4.125 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 748724517 GQIDNWKHBZBRGV-IBGZPJMESA-N 426.536 4.184 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC3CCC(N4CCCCC4)CC3)cc2F)C[C@@H](C)O1 751086237 WUDYNMYUXFNZOX-IVCWUUCSSA-N 446.611 4.036 10 20 IICD Cc1cc(Cl)c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 752309989 OLQUIRMZSJTALX-HNNXBMFYSA-N 435.355 4.325 10 20 IICD Cc1ccc([C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756618130 RHBYOWYYTCVCOX-WAIKUNEKSA-N 440.521 4.453 10 20 IICD C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756618277 RWHWBGUTGCWVDN-IVZQSRNASA-N 426.494 4.144 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1Cl 757499502 HEXYYXNAOPWIFR-UHFFFAOYSA-N 444.868 4.329 10 20 IICD Cc1cc(Br)cn2cc(CCNCc3cc(Cl)cc([N+](=O)[O-])c3O)nc12 757962452 CZTAKAFXWHARQB-UHFFFAOYSA-N 439.697 4.005 10 20 IICD CC(C)(C)OC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 759586035 XRKPAENOLPBWHK-MRXNPFEDSA-N 425.520 4.246 10 20 IICD O=C(NCc1csc(-c2ccco2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 764359034 SYYFZJYOBZOIPG-CQSZACIVSA-N 448.495 4.473 10 20 IICD CC(C)c1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 766560423 PMHMGHXJOMNLOX-GOSISDBHSA-N 427.564 4.341 10 20 IICD COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccc(Oc2ccccc2)cc1 767427808 WPTODURESMXXET-UHFFFAOYSA-N 443.550 4.205 10 20 IICD O=C(CN1CCCCCCC1)Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 770550411 QWKLVJHXVRNPIP-UHFFFAOYSA-N 436.600 4.340 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(O)cc2F)no1 771210373 JMRDLNLNZRWBGA-XNTDXEJSSA-N 447.538 4.477 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3cc(Cl)ccc3Br)CC2)cc1 771258668 YJLRGBHDVQINJK-UHFFFAOYSA-N 437.765 4.439 10 20 IICD COc1cc(OC)c(C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c(OC)c1 773626347 NEGNINFLKBTNBV-QGZVFWFLSA-N 441.572 4.429 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(COc2ccccc2)cc1 774106720 ZURJHOPPRGNSRD-UHFFFAOYSA-N 429.520 4.121 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cc(F)c(Cl)cc1Cl 774956894 NIZWFEHTGWJQJQ-LBPRGKRZSA-N 438.330 4.009 10 20 IICD C[C@@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775256407 XGTZWLCBJGOGSZ-AMGIVPHBSA-N 446.591 4.341 10 20 IICD C[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccc(N2CCOCC2)cc1 775259195 GYBBIZNEKBDJGJ-CYBMUJFWSA-N 449.374 4.248 10 20 IICD CC[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)c(Cl)c1O 775520318 CEUPPLHBROEKDJ-ZDUSSCGKSA-N 431.332 4.004 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)CC2)cc1F 776017869 UHKPEXMCNPSTFA-GOSISDBHSA-N 447.379 4.248 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 777822272 FUIIKYFNZIXDLD-FDDCHVKYSA-N 442.515 4.001 10 20 IICD CSc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 780363820 VOZSODUILQPJMS-UHFFFAOYSA-N 448.591 4.319 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 780957338 SOBOPHJJUNRYRQ-XMMPIXPASA-N 432.520 4.181 10 20 IICD O=C(Nc1ccccc1Br)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895496 FSJMTLGRMGAESN-UHFFFAOYSA-N 431.330 4.455 10 20 IICD CN(c1ccc(CNC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1)C1CCCCC1 790547322 QQGYJZFLTNRDMW-LJQANCHMSA-N 425.577 4.405 10 20 IICD CCOc1cccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1O 793369722 KWKFACPHXQIAKK-HNNXBMFYSA-N 434.252 4.395 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)cnn1C 794016011 GVXSUTPNGSIMHG-UHFFFAOYSA-N 440.550 4.232 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)cc1 794859092 IJSANJYRXQWDPJ-XDHOZWIPSA-N 425.510 4.421 10 20 IICD C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(Br)c1O 799003470 XZSQHYFRRTYYEI-JTQLQIEISA-N 429.108 4.001 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N(C)C)cc3)cc2Cl)C1 799875811 DOIDFHOJAMKYBN-QGZVFWFLSA-N 442.991 4.278 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)CCc3nc(-c4ccccc4)no3)cc2)CC1 805091219 CRACBFMCCKEBIV-UHFFFAOYSA-N 433.556 4.357 10 20 IICD CCc1cccc2c(CCNC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c[nH]c12 805196854 PHXGHAIXRORMFI-UHFFFAOYSA-N 446.595 4.038 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cc(F)c(F)cc1N1CCOCC1 806715037 AYGGEZAYORHNOB-UHFFFAOYSA-N 432.254 4.136 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C 807093678 OROSLNLCWILZGL-QFIPXVFZSA-N 435.593 4.147 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807193788 HZINIRLMLHNCRF-HJPURHCSSA-N 436.483 4.093 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn2ccc(Br)cc2n1 808498014 GAWGJEOPNQICMQ-UHFFFAOYSA-N 433.269 4.059 10 20 IICD CCOC(=O)Nc1scnc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 808695434 KYCKKKWLCUSKQN-UHFFFAOYSA-N 427.482 4.159 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nc(-c4ccc(SC)cc4)ns3)CC2)cc1 809929203 YTAVSTZECITMNK-UHFFFAOYSA-N 441.582 4.290 10 20 IICD CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C(F)(F)F)cc1O 810236383 DPPBZJZQAHOTGP-QGZVFWFLSA-N 446.466 4.331 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)cc1 810352261 BKCKCDHKRGHZTN-UHFFFAOYSA-N 433.556 4.097 10 20 IICD CCc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 812435439 JFUFVXZMNDMBQW-NRFANRHFSA-N 436.556 4.331 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1 813072800 OOGSMHUKNCGYSU-DEOSSOPVSA-N 425.573 4.115 10 20 IICD CCOC1(C)CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 816788320 BSQXFLJTELJCBR-JQIJEIRASA-N 438.640 4.147 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C[C@H](c3ccccc3)c3ncc[nH]3)cc2F)C[C@@H](C)O1 816890919 CEXUQIGCVSVUHX-DBXWQHBBSA-N 436.531 4.001 10 20 IICD COc1cc(NCc2ccc(N(C)Cc3cccs3)cc2)ccc1S(=O)(=O)N(C)C 864010240 RWRIOYVZCRWNNH-UHFFFAOYSA-N 445.610 4.256 10 20 IICD O=C(NCCN1CCc2ccccc2C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915764347 BOTGYCDKMTVXJX-UHFFFAOYSA-N 427.508 4.215 10 20 IICD CN(Cc1ccccc1Br)C(=O)NCc1ccc(N2CCSCC2)cc1 916626282 WIEMGLVEYPJKIE-UHFFFAOYSA-N 434.403 4.344 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC 917192954 DKOPYPJQWQSNLP-MRXNPFEDSA-N 425.554 4.464 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1Cl 917924155 HGHGRFLEUDWXPH-UHFFFAOYSA-N 439.902 4.490 10 20 IICD COc1cccc([C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N2CCCC2)c1 918060141 FCYVIXGQVZFCSD-VWLOTQADSA-N 436.600 4.272 10 20 IICD COc1ccc2c(c1)c(C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)c(C)n2C1CC1 1318439123 LRXNLIYCLOOWBS-UHFFFAOYSA-N 433.552 4.402 10 20 IICD Cc1c(NCc2ccc(N3CCN(C)CC3)c(F)c2)cccc1-c1nnc2n1CCCCC2 1340713622 NDPOMELAJFFBHZ-UHFFFAOYSA-N 448.590 4.483 10 20 IICD CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 525726301 XMFZTXJPNXXYCO-UHFFFAOYSA-N 435.958 4.117 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 725876565 QPYZPFIVFPQFIA-UHFFFAOYSA-N 440.588 4.161 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 726619485 ASGAWWZLPCFHCN-LEWJYISDSA-N 444.373 4.282 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)CC(=O)Nc3cc(F)cc(F)c3)c2C)cc1 727391609 XTDAQLKASWIJAU-UHFFFAOYSA-N 427.451 4.092 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N(CC)CC)cc2)c1C 729579815 JDALRRNLBQAHDE-UHFFFAOYSA-N 432.590 4.315 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccccc2Br)C1 732241330 GJWKPLRDDAUOJE-SFHVURJKSA-N 443.389 4.127 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c1 734072493 CKYRGNZQAWJOIO-QGZVFWFLSA-N 434.492 4.104 10 20 IICD C[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1 734273268 WCEAPGFXQPBHRP-BWKNWUBXSA-N 436.600 4.111 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 743143599 NUBAFJMEZQDZHX-UHFFFAOYSA-N 432.318 4.484 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccn(Cc3ccncc3)n2)cc1 743165637 KDZTUWCWFPMLIT-UHFFFAOYSA-N 430.512 4.220 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F 743598890 NIQNBGXWTYVLQB-UHFFFAOYSA-N 444.507 4.333 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCN(Cc2ccccc2)CC1 743815122 COZKCAKBQPFFQA-UHFFFAOYSA-N 446.389 4.351 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccc(O)cc3)CC3CC3)cc2F)C[C@@H](C)O1 745649763 XLWLOWPTGBMXBC-QZTJIDSGSA-N 441.547 4.267 10 20 IICD COc1cccc(CNC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c1O 745811794 DIUCTAOVLRKSTN-GFCCVEGCSA-N 425.348 4.143 10 20 IICD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccccc1O 748349264 DAPBHNQZYHZUQV-UHFFFAOYSA-N 428.448 4.012 10 20 IICD CCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)Cc1ccccc1O 750875163 NINUPTYXUAOEFY-UHFFFAOYSA-N 441.553 4.384 10 20 IICD CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 751356683 AZJSBGVTHFBZKT-UHFFFAOYSA-N 429.564 4.085 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)cs2)cc1 751929969 DSCUHECWLBWJQG-SFHVURJKSA-N 445.903 4.071 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C)n1-c1cccc(Br)c1 752249704 DMCSHMJEFJFPIR-KRWDZBQOSA-N 442.361 4.001 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2nc(-c3cnn(C)c3)oc2C)c1C 752598032 RLPLDGRBKWYAFJ-UHFFFAOYSA-N 432.480 4.139 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1cncc(Cl)c1 754695658 WNHZZYHWZCXFAL-UHFFFAOYSA-N 430.736 4.422 10 20 IICD C[C@H](NC[C@H](O)COc1ccccc1)c1cc(Br)cc(Br)c1O 756395584 DFFCDQINZGNYFC-AAEUAGOBSA-N 445.151 4.008 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1C 763229642 DBXSPOIYDFWXRT-SFHVURJKSA-N 433.516 4.088 10 20 IICD O=C(c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1F)N1CCCC1 763388522 DWWKVSSNHXHORJ-UHFFFAOYSA-N 449.504 4.125 10 20 IICD CC(C)CC(=O)Nc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1 764768663 RXOVFZHHGDMDPV-UHFFFAOYSA-N 434.334 4.139 10 20 IICD COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c(OC)c1 765871917 HCYSCYGJBNSCFL-LJQANCHMSA-N 425.573 4.447 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nn1-c1ccccc1 772580548 WTNFEBFHWQWWBQ-HDICACEKSA-N 437.519 4.255 10 20 IICD C[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N(C)C)cc1 773622784 HWGQDZBVXRKELI-QGZVFWFLSA-N 428.964 4.025 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2C)c1 773860368 ZZYBHZMSLDPSOT-GOSISDBHSA-N 432.524 4.373 10 20 IICD CC[C@H](NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1)c1ccccc1O 775507239 JFDJSSZXHWQMLM-QFIPXVFZSA-N 426.538 4.443 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1ccc(N(C)C)cc1 776244203 FNJHLJRODAYNJE-HNNXBMFYSA-N 449.382 4.288 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CCN(C(=O)N2CCCC2)CC1 777822908 OSRSUBYDIJUOFH-FQEVSTJZSA-N 435.568 4.410 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCc1ncc(-c2ccccc2)o1 777826039 FWFHNJKVOUBHHR-UHFFFAOYSA-N 442.899 4.225 10 20 IICD COc1cc(OC)c(NC(=O)NCCCSc2nccs2)cc1Br 779506498 XRIWULBILQLSAX-UHFFFAOYSA-N 432.365 4.227 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 779546794 ZZCJGPXYHFRYAA-XARZLDAJSA-N 448.544 4.186 10 20 IICD C[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1O 788735792 RMMCSJUOOOUKPZ-GFCCVEGCSA-N 425.432 4.173 10 20 IICD COc1ccc(CNCc2cc(Br)ccc2OCc2ccccn2)c(O)c1 793385613 DAUCBVBJVPTNEA-UHFFFAOYSA-N 429.314 4.427 10 20 IICD COC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2)cc1 799203440 DMWCZCGBHDQYAA-UNOMPAQXSA-N 425.531 4.416 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 801981803 TZPWAQWRVVCFCX-HSZRJFAPSA-N 425.573 4.086 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)cc(Br)c1F 802609469 BFSVOELTUNDCGF-UHFFFAOYSA-N 441.272 4.200 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Oc2cccnc2)cc1 806512166 NNPNPXONYGRJFJ-LJQANCHMSA-N 432.524 4.271 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 808541600 ZQXPYSZOMXMMCL-UHFFFAOYSA-N 433.530 4.150 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1 808899887 GXKIYYKMCYPQNG-UHFFFAOYSA-N 431.536 4.068 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c(C)n1-c1ccc(F)cc1 914687196 ICODRCLJYNQPDL-UHFFFAOYSA-N 425.548 4.488 10 20 IICD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916678227 QDYCWCDASKZGTI-FQEVSTJZSA-N 437.540 4.150 10 20 IICD Cc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916686455 LRZIQMCHHIFKEJ-UHFFFAOYSA-N 436.325 4.179 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 916739796 WDXQLZLXGFPVTK-RUZDIDTESA-N 443.547 4.357 10 20 IICD CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O 917516134 KJLHODSLBVGAQE-AQTBWJFISA-N 435.530 4.455 10 20 IICD CCOc1ccc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 918140650 NXVPJYHFPKCICV-HZPDHXFCSA-N 425.504 4.249 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1 919911155 SXWCZTQVIHTPAC-UHFFFAOYSA-N 446.617 4.072 10 20 IICD O=C(NC1CCC2(CCOCC2)CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1319159295 DIKKKOLLKUYYQQ-GOSISDBHSA-N 437.531 4.295 10 20 IICD Cc1cnoc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1789980108 GYTZIZUGJSJNCG-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)c1 14178163 PHTGEHNOLNLBFO-HDAJJNEKSA-N 441.530 4.348 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 18489379 SBPOOIAIGVPXJR-UHFFFAOYSA-N 447.564 4.344 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 726266054 GNIZCAMJHRGTFQ-IBGZPJMESA-N 430.593 4.074 10 20 IICD C[C@H]1Sc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2NC1=O 726566512 QSQKIYGGHIHEAC-CYBMUJFWSA-N 447.507 4.120 10 20 IICD CN(C)c1ccc(CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C2CC2)cc1 728387299 HHIQFBQAMQBBSU-UHFFFAOYSA-N 441.622 4.444 10 20 IICD Cc1cc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 730244659 GHQOPDXQKLEHRP-KRWDZBQOSA-N 426.561 4.255 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(C[S@@](C)=O)c2)cc1 732114797 LRJKQOUSZPODKD-WJOKGBTCSA-N 436.577 4.487 10 20 IICD COCC[S@@](=O)Cc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 735179763 STGJZEUPNHFPHL-WJOKGBTCSA-N 443.613 4.236 10 20 IICD C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccsc1 738829871 SLKOMZLXKUDMQQ-UONOGXRCSA-N 433.485 4.197 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc(OC)c1OC 743281950 HXJWHRFHFDKZGR-CCRNYGKSSA-N 443.546 4.437 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1 743283428 BELCBVRTNNURCO-BWCLHNGZSA-N 425.575 4.471 10 20 IICD COCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccco1)Cc1ccccc1O 743430986 OSKJPYHYKJMCOY-UHFFFAOYSA-N 447.491 4.039 10 20 IICD O=C(NC[C@H]1CCOc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743599472 DMQXIJKDOPKJOD-IAGOWNOFSA-N 431.483 4.122 10 20 IICD CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744473168 AKYBLLSIKIAEED-OAHLLOKOSA-N 427.456 4.208 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(F)c(F)cc3Br)CC2)cc1 749819855 YIHFKYYXLLAREH-UHFFFAOYSA-N 425.273 4.135 10 20 IICD O=C1CCCN1CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc21 751778383 FTWNIIVFPALMRT-OAQYLSRUSA-N 432.568 4.113 10 20 IICD CC(C)[C@H]1OCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752028045 AYHKKOZOAHSYED-OXJNMPFZSA-N 425.520 4.007 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 752719605 IAZPMWPDRRIPLZ-UHFFFAOYSA-N 438.297 4.050 10 20 IICD COc1cc(N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1OC 759221384 POYNNKLDXXJTSY-UHFFFAOYSA-N 446.547 4.271 10 20 IICD CCOc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(Cl)c1O 762609885 BOIOXUUUOBTGSR-AWEZNQCLSA-N 440.874 4.445 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1 762734959 NXJHDEVOBFTCKI-RJGXRXQPSA-N 429.605 4.181 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccccc1CN1CCSCC1 765257234 GXTLRZSEGSAWJH-UHFFFAOYSA-N 436.375 4.025 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1cccc(Br)c1O 765542759 PMLDHURXVNZJTE-DIFFPNOSSA-N 427.726 4.384 10 20 IICD Cc1cccc([C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccn2)c1 766265172 VAFVMZMGVXGHJD-RUZDIDTESA-N 430.552 4.158 10 20 IICD COC(=O)CCc1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 769013639 RNKZLYGEXKZSOF-UHFFFAOYSA-N 442.541 4.142 10 20 IICD CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(OC)cc1 769638160 ZZDNAEHHODNFBK-SFHVURJKSA-N 446.550 4.144 10 20 IICD Cc1cc(C(=O)[C@H](C)N(C)CCc2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1 771460427 LDHCAWIAJILBOQ-KRWDZBQOSA-N 428.483 4.231 10 20 IICD CC[C@@H](C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F 772533730 VRWVCAATWJKSLB-MLGOLLRUSA-N 441.416 4.318 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cc1 774405260 VNIFCSMGRFHJBS-XMMPIXPASA-N 431.536 4.142 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)CC1 774819612 HQPWFRYAIQVMNZ-UHFFFAOYSA-N 425.838 4.313 10 20 IICD COc1cc(O)c(CN(C[C@@H](O)COc2cccc3ccccc23)C(C)C)cc1OC 775647364 VRAISXYMIRWLBX-HXUWFJFHSA-N 425.525 4.213 10 20 IICD Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 778278967 ICLWWWOULQOJQZ-UHFFFAOYSA-N 449.599 4.118 10 20 IICD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 781049271 LILGRHYOBHOOOS-NWDGAFQWSA-N 448.488 4.058 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1Br 782869031 AVRYXPANUJMKEV-MRXNPFEDSA-N 433.346 4.272 10 20 IICD COc1ccc(-c2noc([C@H](C)OC(=O)c3csc(Cc4ccc(N)cc4)n3)n2)cc1 784671304 LBJZIOWAYOJTED-ZDUSSCGKSA-N 436.493 4.293 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 787867605 CLCYOVIOVWUNQP-NRFANRHFSA-N 436.508 4.180 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C(F)(F)F 790535267 FCSSWQJXJPUXPA-UHFFFAOYSA-N 441.425 4.136 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cnn(-c2ccccc2)c1 791245929 HBAAWUGBDJTYNR-UHFFFAOYSA-N 448.567 4.194 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C 791246957 RUOYNKQJVNXNRP-UHFFFAOYSA-N 426.344 4.334 10 20 IICD COC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)CCOCC1 792734232 ZHGLLNFMLAJCHH-UHFFFAOYSA-N 440.323 4.322 10 20 IICD CCCOc1ccccc1Oc1ncccc1CNC(=O)NCc1ccc(OC)cc1O 792884438 SQJDVFPFSYWJFI-UHFFFAOYSA-N 437.496 4.376 10 20 IICD CC(=O)N1CCN(Cc2cccc(NCc3ccc(N(C)C)cc3C(F)(F)F)c2)CC1 793154251 WBRSCJWOBALQPF-UHFFFAOYSA-N 434.506 4.048 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C(=O)N(C)c4ccccc4)C3)cc2)CC1 797452321 FDEDBZXNIHUSCO-QFIPXVFZSA-N 434.584 4.117 10 20 IICD Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 799186960 LADQQCBWEAYSLP-UHFFFAOYSA-N 432.502 4.036 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccco4)no3)cc2Cl)C1 800046949 FINSLZVVDWPEQI-OAHLLOKOSA-N 428.920 4.468 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N(Cc2cccs2)C2CC2)cc1)C1CCCCC1 803679011 PAJGPJUPKJIFKE-UHFFFAOYSA-N 425.598 4.324 10 20 IICD C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 806457676 QXNSFRLBEMHUCB-SANMLTNESA-N 439.575 4.440 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(C)c3-c3ccccc3)cc2F)C[C@@H](C)O1 806777724 NWHUUDPJDZQGIW-IAGOWNOFSA-N 437.519 4.162 10 20 IICD O=C(NCC1(c2ccccc2Cl)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807319065 RGBFGEQGHUKNSX-UHFFFAOYSA-N 438.911 4.015 10 20 IICD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807512119 LIUZEAZLPKEBOW-UHFFFAOYSA-N 430.291 4.324 10 20 IICD Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1F 808895045 WRWGUGBRQVBYSY-INIZCTEOSA-N 441.482 4.178 10 20 IICD COc1ccc([C@H](Cc2ccccc2)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 810211854 XBLXKLOWCOLWLT-SQHAQQRYSA-N 443.591 4.471 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 811823398 QMPYMLZQULNUEN-UHFFFAOYSA-N 444.490 4.179 10 20 IICD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3ccc4ccccc4c3O)ccc21 816630938 YDKVFZQCIGKAIX-UHFFFAOYSA-N 426.419 4.159 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3cccc(NC(C)=O)c3)C1=O)O[C@H](C)C2 913517355 RQFWWZFJYRTZLA-HMASQMOLSA-N 440.546 4.383 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)c(C)n1-c1ccccn1 914903539 NOKKXTXTTYPUGU-OAHLLOKOSA-N 429.423 4.275 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@H](C)N4C(=O)CCC4=O)n3)c2C)cc1 916037685 HYXCHVSLRBMCMF-INIZCTEOSA-N 436.537 4.002 10 20 IICD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 916677699 GDRQSSXSFUELOI-SFHVURJKSA-N 443.931 4.386 10 20 IICD Cc1cc(C)n(-c2cccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)n1 916684393 ILNYLLPKCWTJQO-UHFFFAOYSA-N 433.556 4.020 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3c3cccc(F)c3)cc2F)C[C@@H](C)O1 917087170 UCVWUTWXFHQRTC-IEGUWTFLSA-N 443.538 4.032 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(NC(=O)c2cccs2)c1 917386432 ZOSMLYAOWFIGRH-UHFFFAOYSA-N 437.590 4.484 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 918223441 QTDPYWBYHLTXIG-UHFFFAOYSA-N 426.580 4.478 10 20 IICD C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)o1 918224182 MSPQHVUWIZRXLB-JXFKEZNVSA-N 427.520 4.253 10 20 IICD O=C(Nc1ccc2c(c1)oc1ccccc12)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295965 UUMLYQPMEXUOIS-LJQANCHMSA-N 444.487 4.438 10 20 IICD Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 918305088 AJSMMYWROZSSHU-UHFFFAOYSA-N 438.753 4.074 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(N3CCNC3=O)c2)cc1 919653124 WCYVCWSBILYBPY-UHFFFAOYSA-N 433.512 4.110 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2F)CC1 1339016812 FDBBJJLGALCBSI-UHFFFAOYSA-N 429.543 4.411 10 20 IICD COCC[S@](=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 303645321 JBEMUBJCLWAIDS-HKBQPEDESA-N 440.565 4.250 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)n(C)c2ccccc12 472805289 NEHADQGYCUOUNT-UHFFFAOYSA-N 446.532 4.055 10 20 IICD C[C@@H](NC(=O)NCc1nc2cc(Cl)ccc2s1)c1ccc(N2CCOCC2)cc1 726242921 COQJQXMMQNVVSC-CQSZACIVSA-N 430.961 4.347 10 20 IICD Cc1cccc(OC[C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726613820 RPXVTIVYPQJPJZ-QGZVFWFLSA-N 433.499 4.332 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(C)n1C[C@H]1CCCO1 727864105 SEZYRVBUGFLDRT-CNJGYECJSA-N 427.595 4.123 10 20 IICD CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 728458626 BAJZJGYVVJRSBP-DEOSSOPVSA-N 449.595 4.114 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC3(c4ccc(F)cc4)CCC3)cc2F)C[C@H](C)O1 728746549 WPDFXLOLOQUTIA-IRXDYDNUSA-N 429.511 4.457 10 20 IICD CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)CCC1 730047214 CUDLJFDVXCTSHP-UHFFFAOYSA-N 437.323 4.043 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1F 731408015 AGWRVJWEBLRKGL-UHFFFAOYSA-N 425.426 4.254 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(-n3cccc3)c1)c2[N+](=O)[O-] 731459850 RNKRXSFSDKXOKK-UHFFFAOYSA-N 437.411 4.413 10 20 IICD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 732911407 YOMFRMVASLCMPR-UHFFFAOYSA-N 441.494 4.013 10 20 IICD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCCSc1nccs1 733883748 AZPJGNFIXNIRBN-LJQANCHMSA-N 425.579 4.303 10 20 IICD C[C@@](O)(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)cc1F 734077284 MUKUOYVQRXGBFJ-HSZRJFAPSA-N 438.434 4.343 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(OCc2ccccc2C)c1 734703554 OVDVPLACIOAWPB-UHFFFAOYSA-N 431.536 4.203 10 20 IICD CC(C)(CNCc1c(O)cccc1Cl)S(=O)(=O)c1ccc(Br)cc1 735678174 WWOKGTOOJNHEGQ-UHFFFAOYSA-N 432.767 4.150 10 20 IICD CCN(CC)CCOc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 735746336 VJBWNQAMUPSDEL-UHFFFAOYSA-N 442.629 4.282 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1F 740820466 HGDXCULEVXQASJ-IBGZPJMESA-N 435.927 4.427 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 742487578 IHLMTDJGEAJIDX-UHFFFAOYSA-N 440.590 4.237 10 20 IICD CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801086 YNTOZSKGDNJEBO-CYBMUJFWSA-N 426.895 4.197 10 20 IICD COc1ccc(C)nc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 746653295 JXANMPORSCZQCS-PTNGSMBKSA-N 433.580 4.080 10 20 IICD Cc1nnc(-c2ccc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)o1 747568868 XPHHLQGJYHWNPY-GJZGRUSLSA-N 439.491 4.119 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 751920001 RREGXKJIWKOJFO-UHFFFAOYSA-N 436.320 4.418 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752850246 IQCFZQUBLFMCFE-ZJSXRUAMSA-N 449.599 4.250 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ccccc4F)c3)cc2F)C[C@@H](C)O1 755837353 NSKNSORODMNSFB-HZPDHXFCSA-N 441.482 4.086 10 20 IICD C[C@H](NCCCN1CCCCCC1=O)c1cc(Br)cc(Br)c1O 756373938 VQLZYKMLAUIXML-LBPRGKRZSA-N 448.199 4.361 10 20 IICD C[C@@H](NC[C@H](O)COc1ccccc1)c1cc(Br)cc(Br)c1O 756395590 DFFCDQINZGNYFC-YPMHNXCESA-N 445.151 4.008 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3cc(Br)cc(Cl)c3O)cn2)CCO1 756432241 QFHJEIXIHYJBFK-STQMWFEESA-N 440.769 4.279 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 756608739 LLUNAYYAHPCNTC-IQMFZBJNSA-N 429.513 4.384 10 20 IICD COC1CCC(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1 759188103 XIWIMRXRDZGKRH-FBPXKMNZSA-N 433.593 4.030 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cc(F)c(Br)cc1F 759478116 RKDCDSUASCOYRI-UHFFFAOYSA-N 432.271 4.047 10 20 IICD C[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)cc(F)c1O 760020899 ZLVPOWMHJUHZMZ-YJBOKZPZSA-N 437.353 4.236 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccco1)Cc1ccccc1O 761745718 FHLZIOXOKQFHNO-UHFFFAOYSA-N 448.548 4.449 10 20 IICD CC[C@@H](C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F 772533731 VRWVCAATWJKSLB-WBMJQRKESA-N 441.416 4.318 10 20 IICD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN[C@H](C)c1cc(OC)ccc1O 775370934 JUZNLKSLSUONQB-CYBMUJFWSA-N 444.509 4.188 10 20 IICD CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 775740491 NBRRQJMNLKJYER-UHFFFAOYSA-N 440.657 4.017 10 20 IICD COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1O 779065819 RETJOHHVDVHKED-RVDMUPIBSA-N 434.564 4.082 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780346670 FWTDGEDMUSLWAD-UHFFFAOYSA-N 433.458 4.490 10 20 IICD C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(Br)ccc1O 783646736 CTKKOTCZPDEBOX-JTQLQIEISA-N 428.124 4.207 10 20 IICD C[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cc2c(cc1O)CCCC2 793561350 DXIMMWFPTXPOQL-DXPJPUQTSA-N 433.552 4.347 10 20 IICD COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c(O)c1 794379651 UTKKTRDDUQOLRV-BVAGGSTKSA-N 444.531 4.197 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)C[C@H]2CCCOC2)sc(C)c1-c1ccccc1 795914626 XBUKTVRGFGBHJE-MRXNPFEDSA-N 445.537 4.199 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3ccnn3-c3ccccc3OC)SC2=S)cc1 797398731 QIWKRVSRVGEWQN-DEDYPNTBSA-N 437.546 4.291 10 20 IICD Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)C2 799995663 SCNACEYSSBNZKT-BEFAXECRSA-N 427.980 4.031 10 20 IICD COc1ccccc1Nc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 800508263 PGDOBZFCPQULAF-UHFFFAOYSA-N 449.526 4.469 10 20 IICD CN(C)c1nc(CNCc2cccc(Br)c2O)c(Cl)n1-c1ccccc1 802650539 FYIOKNURWBVGAH-UHFFFAOYSA-N 435.753 4.350 10 20 IICD CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 805723977 VCGBCTQSTLGNIW-FQEVSTJZSA-N 443.496 4.116 10 20 IICD CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cn1 811823492 YIKUEAWEJILNFH-UHFFFAOYSA-N 435.383 4.440 10 20 IICD Cc1cc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nc(N2CCCC2)n1 813608316 GQMUOSAYACEBKC-UHFFFAOYSA-N 436.604 4.154 10 20 IICD O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)SC(=S)N1C1CC1 814285055 NJMSSZAAKAZUJE-YHYXMXQVSA-N 435.162 4.281 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC(C)=O 814289564 QZPNOMCPTWUPKT-PWODVRPESA-N 433.551 4.019 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3cccc(C(F)(F)F)c3O)CC2)cc1 815556891 HUFPNCNCFPFGDT-HNNXBMFYSA-N 442.503 4.223 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(Br)ccc2OC)cc1 818674127 JTAOJLIIFINMCE-UHFFFAOYSA-N 441.391 4.125 10 20 IICD COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@H]2c2cc(OC)c(OC)cc2O)cc1 877851981 QYIJIWXYJFXTIQ-RUZDIDTESA-N 448.519 4.252 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCCSc4ccccc43)cc2F)C[C@H](C)O1 917041493 UCYMDGUUNXMAMW-ROUUACIJSA-N 443.588 4.058 10 20 IICD C[C@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccc(N2CCOCC2)cc1 920921098 WPTYUNXBHVWOPB-HNNXBMFYSA-N 444.988 4.389 10 20 IICD CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811263181 BUTZHLYAPDCNGS-WIOPSUGQSA-N 430.552 4.219 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)s2)cc1 139042082 PZHLCUJXYDAMGW-UHFFFAOYSA-N 437.565 4.236 10 20 IICD O=C1/C(=C/c2cc(Cl)c3c(c2)OCCCO3)SC(=S)N1CCc1ccccn1 726197021 JTTLKFURMQWCPC-ATVHPVEESA-N 432.954 4.340 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 727149951 FCWWLPYZMQUMBE-QFIPXVFZSA-N 425.573 4.237 10 20 IICD COc1cccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1O 727761254 QCGUIJPSQSPYDQ-UHFFFAOYSA-N 425.485 4.238 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(F)c(I)c(F)c2)c1 729039084 IMOIFZPSOUCCFB-QMMMGPOBSA-N 448.207 4.166 10 20 IICD O=C(N/C(=C/c1cccnc1)C(=O)N1CCc2cc(Br)ccc21)c1ccccc1 733139860 SYGNDQJRYBFPRV-DEDYPNTBSA-N 448.320 4.204 10 20 IICD O=C(NCCCSc1nccs1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 733972660 UMYNCFHHIMHWPU-LBPRGKRZSA-N 430.382 4.101 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1Cl 735517263 BBDQITHGQPPJLV-GOEBONIOSA-N 449.382 4.256 10 20 IICD C[C@H](OC(=O)[C@@H](C)c1ccsc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 738834130 IHESIEOTRCVJOX-KBPBESRZSA-N 433.485 4.197 10 20 IICD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 741099551 FGUPIOJFRQANPL-UHFFFAOYSA-N 449.498 4.281 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2)C1 741913365 HQWYDWTWNGAQOX-NQERJWCQSA-N 446.378 4.115 10 20 IICD C[C@@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(N2CCOCC2)cc1 742584158 VKXFRILKCKNAEO-MRXNPFEDSA-N 427.520 4.138 10 20 IICD CCSc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1 742750495 CMWLIEPJUPMVBC-IBGZPJMESA-N 444.601 4.255 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Oc2cnccn2)c1 742800770 MDAYRGVIAMAXSG-KRWDZBQOSA-N 440.450 4.269 10 20 IICD COc1cc2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)[nH]c2c(OC)c1OC 743432299 IAHPIJRSQUWDFA-UHFFFAOYSA-N 436.464 4.335 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 743888714 BPBOUWSINGMHMC-UHFFFAOYSA-N 438.915 4.190 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccsc1)N(C)C 745494273 QOPJEYGGBLPORJ-MRXNPFEDSA-N 426.380 4.051 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C2CC2)cc1 747544102 BMZAWZAZTFZURJ-FQEVSTJZSA-N 426.630 4.400 10 20 IICD CCOc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] 749273529 WAULMUZABBTBJQ-UHFFFAOYSA-N 425.407 4.461 10 20 IICD O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 751120322 GISILRFHAMRVFX-GOSISDBHSA-N 430.353 4.210 10 20 IICD O=C(c1[nH]c2ccccc2c1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 752149392 LUTKILXMZYTBLE-HNNXBMFYSA-N 429.314 4.457 10 20 IICD Cc1cc(-c2csc(NC(=O)[C@@H]3CCCCS3(=O)=O)n2)c(C)n1-c1ccc(F)cc1 753614325 VQQRLDRRFYTMEZ-IBGZPJMESA-N 447.557 4.263 10 20 IICD C[C@@H](NC[C@@H](CO)Cc1ccco1)c1cc(Br)cc(Br)c1O 756662277 ZSOGJUPLGGXOOK-MNOVXSKESA-N 433.140 4.012 10 20 IICD Cc1ccc(N(C)[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 758406357 CPUAZDOFGOVVRI-OFVILXPXSA-N 436.600 4.203 10 20 IICD Cc1cc(Br)cn2cc(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)nc12 759215131 BQYYXWYSRAXBMY-UHFFFAOYSA-N 438.329 4.138 10 20 IICD CC[C@@H](CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(C)cc1 759221822 QYZRYPGXCVXKLN-IBGZPJMESA-N 426.557 4.253 10 20 IICD CCCc1sc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1CC 759241252 NOTLTKZUFFASTI-UHFFFAOYSA-N 432.586 4.251 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C)n1-c1ccc(C(C)C)cc1 764074969 LSQWSKJLFXIQOP-FQRUVTKNSA-N 436.644 4.316 10 20 IICD O=C(Cc1c[nH]c2cc(Br)ccc12)NCc1ccc(N2CCSCC2)cc1 764914446 HVXAGBXXQZUBTN-UHFFFAOYSA-N 444.398 4.343 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cnc1Cl 767677172 XVZDNGVYBOKGSJ-UHFFFAOYSA-N 427.960 4.390 10 20 IICD COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 773816259 FITNJFSIDPJFNF-IRXDYDNUSA-N 437.500 4.024 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)cc1 774142448 YFBSMYQVSNXKBK-CYBMUJFWSA-N 431.385 4.378 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)OC)c(F)c3)n2)s1 775052528 UXODQAKZLGFOEY-UHFFFAOYSA-N 426.516 4.161 10 20 IICD COc1cc(Cl)cc(CNC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1O 775982592 DIEOTTHJXDVWTD-UHFFFAOYSA-N 442.865 4.467 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 778233561 HARRVVKHPCPITR-UHFFFAOYSA-N 437.481 4.101 10 20 IICD Cn1nc(Br)cc1/C=C1/SC(=S)N(c2ccc(OC(F)F)cc2)C1=O 779202486 BOKZWKHANADZDO-IZZDOVSWSA-N 446.298 4.190 10 20 IICD CC(C)[C@@H]1C[C@@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782000856 JSEWZIXDPQHUQM-BWAGFHJFSA-N 447.620 4.276 10 20 IICD O=C(COC(=O)c1cccnc1Oc1ccc(Br)cc1)c1ccc(O)c(O)c1 782886312 KOECSYMWUWQCBD-UHFFFAOYSA-N 444.237 4.087 10 20 IICD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 787062667 DFMQDNJAAVNMMA-JTSKRJEESA-N 431.964 4.267 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 787427822 VUBZYGJKFBSXEI-UHFFFAOYSA-N 432.446 4.412 10 20 IICD O=C(COC(=O)c1cnn(-c2cccnc2)c1)Nc1ccc(N=Nc2ccccc2)cc1 787967467 LWJKANDJMWGPBU-UHFFFAOYSA-N 426.436 4.478 10 20 IICD Cc1cccc([C@@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C(C)(C)C)c1 789855678 VYTBLUNHLDDLQW-JOCHJYFZSA-N 439.625 4.068 10 20 IICD CC(=O)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1C 789960816 FYIUDZHHBWIFMK-QFIPXVFZSA-N 439.556 4.259 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 791246766 RKEHZXXPFNWTSF-UHFFFAOYSA-N 436.556 4.275 10 20 IICD CCCCn1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C(C)C 792209417 FCXIUWFDNLGJPN-UHFFFAOYSA-N 425.577 4.002 10 20 IICD COc1ccc(N2CCC(NC(=O)NCC(C)(C)Oc3cc(F)cc(F)c3)CC2)cc1 805756965 PMXOOCXCJYFQFY-UHFFFAOYSA-N 433.499 4.099 10 20 IICD CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)CCC2 806303175 LBYAUQNMJPFYGT-OAQYLSRUSA-N 438.572 4.025 10 20 IICD C[C@H](Oc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F 806856834 NHPCWEDOWGVRNF-HNNXBMFYSA-N 449.473 4.212 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 807079933 WVKCCLSLQYYLPQ-UHFFFAOYSA-N 427.501 4.422 10 20 IICD Cn1ncc2ccc(CNCc3cc(Br)cc(Br)c3O)cc21 812770367 JJEXNQVVRPJWCT-UHFFFAOYSA-N 425.124 4.094 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 814274490 PAIQVBGEBSODEI-SFQUDFHCSA-N 429.519 4.286 10 20 IICD CCc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)c1 917603504 WAAGEYICEIGOQC-RGEXLXHISA-N 436.537 4.410 10 20 IICD CSc1nnc(CCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1C1CCCC1 918031538 YBHSFEJFAOUQBT-UHFFFAOYSA-N 438.601 4.280 10 20 IICD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918545608 LLRJFVFNEQCNON-FQEVSTJZSA-N 425.529 4.052 10 20 IICD CN1CCN(c2ccc(CNc3nnc(Cc4ccc5ccccc5c4)o3)cc2F)CC1 1323515241 ODBYBLBBEILBLD-UHFFFAOYSA-N 431.515 4.317 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1-c1ccccc1 71565004 JGBRFNPLDHVWBP-UHFFFAOYSA-N 446.550 4.114 10 20 IICD CCN(CC)c1ccc(CNC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1F 236958911 WPFKDAZJSOTIKG-UHFFFAOYSA-N 447.620 4.224 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 301685286 MLTVFAKAWCALHT-UHFFFAOYSA-N 435.480 4.282 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Br 327477622 CYUDNXBIBHAKAZ-UHFFFAOYSA-N 427.701 4.008 10 20 IICD CCC[C@@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1nnc2ccccn12 435683247 OSUMBKGYBARYNL-OAQYLSRUSA-N 444.583 4.108 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722680 VJKDCFQCLDFVNT-UHFFFAOYSA-N 432.515 4.164 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4Cl)c3)SC2=S)cn1 726986879 ZMONLYPCZPAMMP-IUXPMGMMSA-N 442.953 4.394 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2Cl)n1 727035211 IVENSPGEZIXGCN-UHFFFAOYSA-N 433.942 4.217 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)n2)c[nH]1 727247556 CLKMAKNMYWQORQ-UHFFFAOYSA-N 447.538 4.047 10 20 IICD C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)Nc1sccc1C(N)=O 729587270 OKZROLUNCQSZQE-GFCCVEGCSA-N 438.465 4.152 10 20 IICD CCCOc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c(C)c1 730133434 RUVCVUGILFWYEP-UHFFFAOYSA-N 428.552 4.387 10 20 IICD CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731014668 FAQVWPRUSBTTMV-UHFFFAOYSA-N 429.586 4.005 10 20 IICD COc1cccc(C2(CNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCCC2)c1 731046434 IMJSFUULIRAOEX-HXUWFJFHSA-N 437.584 4.404 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 731164858 KDCZOYAEOVSDIZ-QHCPKHFHSA-N 445.563 4.427 10 20 IICD CCOc1ccc([C@@H]2CCCN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)cc1 732526689 PJZPAILKPMYFNR-VWLOTQADSA-N 438.568 4.163 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 734649748 KCTOHFVQHRBNJW-UHFFFAOYSA-N 437.565 4.357 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(CCc3ccc(F)cc3)C3CC3)cc2F)C[C@@H](C)O1 735188451 YYHSOQSVYAUVER-QZTJIDSGSA-N 443.538 4.495 10 20 IICD COc1ccccc1-c1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 742801728 SFJPLOCYDDUOJW-OAHLLOKOSA-N 443.450 4.350 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 743637614 OKPMEIKPZCHFHI-UHFFFAOYSA-N 430.858 4.006 10 20 IICD CC(C)NC(=O)Nc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 745583602 DGFWTBISUKPWDU-UHFFFAOYSA-N 425.577 4.403 10 20 IICD COc1ncc(C)cc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 746532598 SEDMMMMVAMZFSA-XNTDXEJSSA-N 433.580 4.080 10 20 IICD Cc1cc(C(=O)N2CCOCC3(CCOCC3)C2)c(C)n1-c1ccc(Br)cc1 752479196 IQHGZHZKHBPYGC-UHFFFAOYSA-N 447.373 4.126 10 20 IICD O=C(Nc1cccc(-c2ncco2)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 754500751 XSOSYLGYJHIREU-UHFFFAOYSA-N 441.490 4.162 10 20 IICD CC[C@@H](N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1c(C)noc1C 754546575 UEPHMNNXAJPFKM-IFXJQAMLSA-N 431.492 4.135 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)cc(F)c1O 756424958 WYPLATMGUOXANC-GFCCVEGCSA-N 427.289 4.120 10 20 IICD Cc1cc(C)c(Br)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 764142018 AFIHINDXDOOJKL-UHFFFAOYSA-N 431.374 4.205 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)n1 764523524 BRWDMOJCNDEKBC-UHFFFAOYSA-N 437.474 4.284 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)CCC2 765282605 VTLVVCDRGMOTMH-LJQANCHMSA-N 431.559 4.282 10 20 IICD C[C@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 765987399 JRFRCMPYDMKNSJ-ZWKOTPCHSA-N 445.554 4.174 10 20 IICD C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCCCCC2)cc1 766561677 DQILKCUDKHDEOH-INIZCTEOSA-N 433.540 4.032 10 20 IICD CCOc1cc(CN(c2ccc(OC)c(F)c2)C(C)C)nc2nc(C(F)(F)F)nn12 766873287 ZCQXJTUAPCNNRS-UHFFFAOYSA-N 427.402 4.105 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1 771781032 TXZBFTVQDIYLHZ-UHFFFAOYSA-N 430.512 4.375 10 20 IICD C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1 774362562 AWXMGCGSRMPHBW-INIZCTEOSA-N 436.533 4.249 10 20 IICD C[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)C1=O 777822726 KGOFMCBHWAZQPX-OALUTQOASA-N 430.504 4.296 10 20 IICD Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)[C@H](C)C2 779028693 YEZNZZDUZWCNAZ-CLOONOSVSA-N 431.559 4.274 10 20 IICD COC(=O)c1cnc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)cn1 779801806 XXOZVPXLDNVIPK-UHFFFAOYSA-N 439.493 4.118 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3c2ccn3C)cc1 782429233 UAQDHHJKUIMVIQ-UHFFFAOYSA-N 430.508 4.005 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c1 786891976 ZPHVAOJUVSROBT-MBSDFSHPSA-N 448.519 4.288 10 20 IICD C[C@H](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 788931071 DLXNKUDAFHWUDL-QGZVFWFLSA-N 447.501 4.232 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H](C)c1ccccc1C(F)(F)F 788932926 RWMQTFGIDHXBLM-IRXDYDNUSA-N 447.501 4.230 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1Cc1ccc(F)cc1F 790608241 IZZOPQPYUUKBDD-UHFFFAOYSA-N 439.510 4.079 10 20 IICD C[C@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1ccc(N2CCOCC2)cc1 790691963 USNLMTWMSRXDPE-INIZCTEOSA-N 444.373 4.115 10 20 IICD Cc1cc(C(=O)COC(=O)c2nc(Br)ccc2F)c(C)n1-c1ccccc1 795856007 LUQCZTUYDHCKAB-UHFFFAOYSA-N 431.261 4.430 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 802609361 YXHGISZKJYLEIY-UHFFFAOYSA-N 439.556 4.078 10 20 IICD C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1OCCc2sccc21 814115991 ACKNTVDYUNKLJS-MDOVXXIYSA-N 436.524 4.385 10 20 IICD CSCCCN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCO3)SC1=S 814266895 GKGABHUMVOXHCS-KPKJPENVSA-N 432.386 4.132 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(OC)c1OC(C)=O 814277540 KYXXFSVBSQBRLL-LICLKQGHSA-N 433.482 4.174 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC(C)=O 814289562 QZPNOMCPTWUPKT-CFODILMOSA-N 433.551 4.019 10 20 IICD CCN1CCN(C(=O)[C@H](C)SC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CC1 814772881 HSDIMYVEFJDRHU-HIXWQLQUSA-N 445.635 4.157 10 20 IICD CCN1CCC[C@@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 884410847 UYIUBGMPNFDWGF-JOCHJYFZSA-N 426.630 4.127 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 914505857 BWDOSEQSHAQQQP-UHFFFAOYSA-N 440.632 4.148 10 20 IICD CCC(=O)N1CCCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 917409896 YHOBSHWBZZVAOO-GOSISDBHSA-N 447.526 4.211 10 20 IICD CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917668174 RUNJTILNUNAEKK-AWEZNQCLSA-N 446.463 4.426 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2cnn(C(C)C)c2n1 917715615 RYLDWIQKMDDAQH-CALCHBBNSA-N 439.535 4.003 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(-c2cc(Br)cs2)no1 917955343 JXCKRCPJWYMFIB-UHFFFAOYSA-N 449.374 4.029 10 20 IICD CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1 918123626 ZOQGVNANDVNWSB-KNQAVFIVSA-N 440.563 4.114 10 20 IICD CC(C)Oc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918220364 XEIRVWFCXMPCFE-HDICACEKSA-N 429.536 4.226 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@@H]1c1ccccn1 919870907 LVAJGUYFFGNHFS-SOGDLCAJSA-N 443.619 4.488 10 20 IICD C[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1116065455 ZEWRNYQUEILAFA-LJQANCHMSA-N 439.579 4.165 10 20 IICD C[C@@H](OC1CCCCC1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1318742399 WXBLYRGWUQIJNC-DYESRHJHSA-N 433.593 4.172 10 20 IICD Cc1ccc(C)n1-c1ccsc1-c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)o1 1327919377 LYBMNHAEZZSAAY-UHFFFAOYSA-N 447.564 4.164 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC2CC2)C3)cc1 1780987765 CFEVMKBWBKVSQG-SHQCIBLASA-N 449.595 4.022 10 20 IICD CNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 14406085 RWZQNFKMEMPFGK-UHFFFAOYSA-N 426.314 4.469 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 109346833 OGILHPQYUAABGA-UHFFFAOYSA-N 441.578 4.079 10 20 IICD CCOc1cccc(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O 236925773 QLBMPGGMQVTOMG-QHCPKHFHSA-N 425.550 4.382 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 303076452 ZJQWMIILKFCEQH-UHFFFAOYSA-N 435.543 4.433 10 20 IICD O=C(c1ccc(Br)cc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 725781269 IFZCDIRESGSMIJ-UHFFFAOYSA-N 425.326 4.266 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1-n1nnnc1C 726701166 AGFLESMHBVMNPV-UHFFFAOYSA-N 449.559 4.070 10 20 IICD CN(Cc1ccc(F)cc1F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722584 SEHOJNFNXHMLLE-UHFFFAOYSA-N 425.426 4.377 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)/C=C\c3cccc(OC4CCCC4)c3)cc2)C1 727665918 XDOINGDHMQGPIA-QKWZMAAQSA-N 447.579 4.039 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cc(OC)cc4c3O[C@@H](C)C4)SC2=S)cc1 727860741 JWBQEWBJLVTCGA-JFENUBAZSA-N 427.547 4.429 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(C)c1 732910953 KJJKHQGFPZQHPG-UHFFFAOYSA-N 440.550 4.422 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1 734702378 ZVURSDRFMYTNFR-UHFFFAOYSA-N 445.563 4.075 10 20 IICD CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 740910217 PJVFCDIXQFJPIO-UHFFFAOYSA-N 443.613 4.201 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]nc1-c1cccc(OC(F)F)c1 742554989 YAJYYUUYXHJJQV-UHFFFAOYSA-N 444.507 4.161 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@H]2CCOc3ccccc32)C1=O 743284099 JIMZKAXGAJVPJW-PFHZTYADSA-N 443.546 4.437 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3coc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 743555232 STPHSURISXXARY-IAGOWNOFSA-N 438.503 4.094 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2cccc(F)c2)C1 745903463 GYTPUMHQFYIIPY-NQIIRXRSSA-N 449.473 4.179 10 20 IICD Oc1ccc2oc3c(c2c1CN1CCN(CCCOCC(F)(F)F)CC1)CCCC3 749676402 GLNWPBFQNZFFRH-UHFFFAOYSA-N 426.479 4.104 10 20 IICD COCCCOc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 751012566 YIYNWKXCVTXPHI-GOSISDBHSA-N 449.498 4.494 10 20 IICD CC(C)OCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 751062300 AGDRNIUJYHEPCO-UHFFFAOYSA-N 446.550 4.432 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3noc(-c4ccc(Cl)cc4)n3)cs2)cc1 751929592 AAMFHWWBSODERT-UHFFFAOYSA-N 426.885 4.377 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4nccc(C)n4)cc3)CC2)cc1 753904909 LPDZNCZBKOCHIB-UHFFFAOYSA-N 433.512 4.330 10 20 IICD Cc1cc(C(=O)Cn2c(=O)oc3cccnc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 754287437 ZYHOODLSKZSODU-UHFFFAOYSA-N 431.370 4.179 10 20 IICD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754549374 JTDUDIIPHCXIKC-DEOSSOPVSA-N 436.467 4.365 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1NC(=O)OC(C)(C)C 755440917 OSUCWHNQNWQVIH-UHFFFAOYSA-N 439.556 4.071 10 20 IICD O=C(Nc1ncc(C2CCCCC2)s1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 756076528 NAZCJIIVLXNERG-GOSISDBHSA-N 443.569 4.043 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2c(cc1O)CCCC2 756365025 XNDCYNUGIXSFPM-SFHVURJKSA-N 428.598 4.296 10 20 IICD C[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)cc(F)c1O 756804644 VZYZGCNIUCHMSD-JTQLQIEISA-N 442.716 4.057 10 20 IICD C[C@@H](C(=O)Nc1ccc(N[C@H](C)c2ccc(Br)cc2O)cc1)n1cncn1 756851226 QAFJEBNZHKWTKY-OLZOCXBDSA-N 430.306 4.119 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)cc2F)C[C@@H](C)O1 764852060 GGHCCHNXRDATTB-VFGMZZLHSA-N 441.330 4.096 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 771134676 HVCOFLFPBCTQHU-CVDCTZTESA-N 428.548 4.461 10 20 IICD CSc1cc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)ccn1 772490528 VVTRRYOCVVEYQW-RVDMUPIBSA-N 449.648 4.163 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 775136694 FWLSSPQRPONKKD-OQPBUACISA-N 447.089 4.052 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 775482441 ZIYQWTYFAWYQLI-UHFFFAOYSA-N 433.505 4.001 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(OC(F)F)cc(OC(F)F)c1 775662062 RKPXKXXFPZYPSG-UHFFFAOYSA-N 444.450 4.373 10 20 IICD C[C@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(N2CCOCC2)c(F)c1 776833026 LSDYIEYKRQYXHR-ROUUACIJSA-N 437.519 4.232 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3c(Cl)ccc4cccnc34)SC2=S)cc1 781099953 IWLLLVXAARFSHW-YBEGLDIGSA-N 425.922 4.393 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1cccc2ccccc12 784030751 VAHGVDHRWMNZBR-UHFFFAOYSA-N 442.519 4.168 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C2CCCCC2)cc1 784059425 KQIXYOGOADRDJL-UHFFFAOYSA-N 427.373 4.269 10 20 IICD CN(c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cc1)C1CCCCC1 789911047 DZHAZSSINRWANH-DEOSSOPVSA-N 442.625 4.290 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 797631586 ZCWJMHSHJKZESR-CABCVRRESA-N 429.517 4.436 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)(COC)CC1 802462980 NVOUZLLCXJKXRD-UHFFFAOYSA-N 437.588 4.252 10 20 IICD CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 807848246 SPLZMQCRXMELFJ-SFHVURJKSA-N 446.389 4.235 10 20 IICD CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1 918004834 LPOHOPZTFGNSMZ-KNQAVFIVSA-N 442.991 4.238 10 20 IICD CC(C)Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918138056 GFOPWICDEIGHME-UHFFFAOYSA-N 426.532 4.140 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 918264951 HLIDPCVZEGXINX-UHFFFAOYSA-N 425.838 4.214 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)cc1 918430289 VMMPVXJVIYMVQM-UHFFFAOYSA-N 428.583 4.119 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1Cc2ccccc21 918631504 URVPFIHKMZHDLD-PWDRBQJJSA-N 428.604 4.186 10 20 IICD CC(C)(CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 920016100 TUMIDBTUMZLXIM-UHFFFAOYSA-N 442.471 4.468 10 20 IICD C[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(N2CCOCC2)cc1 920871724 NQDPRFDMTFZXAD-KRWDZBQOSA-N 445.510 4.115 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 1319025264 JMFDATQQZQYSQP-UHFFFAOYSA-N 437.927 4.472 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3F)[nH]n2)cc1 1821157501 KFKBDLFSZJCWSA-VWPQPMDRSA-N 449.530 4.481 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 18214878 HAHDLOYTCMGKFB-UHFFFAOYSA-N 433.895 4.137 10 20 IICD Cc1oc2c(CN3CCN(c4ccncc4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 28706841 YBGWOAPYBSGIAD-UHFFFAOYSA-N 427.504 4.191 10 20 IICD COc1ccc(N2CCN([C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1 39561475 NUEQDIYGIBMTPL-HZPDHXFCSA-N 438.597 4.001 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3nc4ccccc4s3)cc2F)C[C@@H](C)O1 108291624 RPCLQAGXIZPESE-UETGSQEOSA-N 425.529 4.379 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1 108576320 LUVQPPLEJQHRTO-UHFFFAOYSA-N 435.524 4.232 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 726566472 PBQIKTZZBRCNJY-UHFFFAOYSA-N 429.467 4.035 10 20 IICD CCCCOc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC 726628371 WSKPQBOQTHTLKI-UYRXBGFRSA-N 442.562 4.379 10 20 IICD CN(C)c1ccc(CN(C(=O)c2csc(I)c2)C2CC2)cc1 730744311 DGNTXDMJFTYKNX-UHFFFAOYSA-N 426.323 4.224 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F 731346212 GTDKEYRLEWTIEW-UHFFFAOYSA-N 428.508 4.113 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734531606 OESFNJAAGWRTHZ-KRWDZBQOSA-N 436.478 4.038 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1F 735881450 BFUDAAXRRAVBER-UHFFFAOYSA-N 425.464 4.053 10 20 IICD COc1ccc(Oc2ccc(S(=O)(=O)NCCCSc3nccs3)cc2)cc1 741253799 NQSLIHTXJZSHOF-UHFFFAOYSA-N 436.580 4.405 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(-c2cccc(F)c2)no1 745920931 RZWRZBZHDPULKD-HNAYVOBHSA-N 440.475 4.033 10 20 IICD C[C@H](NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 747860407 BGTJPCUIUFCCSE-GRYUFTJMSA-N 437.584 4.394 10 20 IICD COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccc(Br)cc1 750042782 MBGQTTVTGDJESS-INIZCTEOSA-N 426.694 4.015 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cnn([C@H]2CCOC2)c1 751587024 BFNVCDNYMOMJQS-NSHDSACASA-N 445.353 4.076 10 20 IICD COc1ccc(Br)cc1COC(=O)c1csc(Cc2ccc(N)cc2)n1 751936596 KWNRGXJENXIAKJ-UHFFFAOYSA-N 433.327 4.444 10 20 IICD O=[N+]([O-])c1cc(CNCc2cc3c(cc2OC(F)F)OCO3)ccc1N1CCCCC1 756899983 QYTTVKYXCYQXIF-UHFFFAOYSA-N 435.427 4.205 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c1 761951053 VOCPHDWCSKHTGL-MRXNPFEDSA-N 448.523 4.060 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccnc(O)c3)c2C)ccc1Br 762849864 XLUBVGFTWPOSJQ-UHFFFAOYSA-N 443.297 4.305 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCCC4=O)CC3)c2C)c1 763677195 XVFAQDMRBHUOHM-UHFFFAOYSA-N 439.625 4.476 10 20 IICD COc1cccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)c1 764571838 KVEDJMUZGNYXBX-UQBPGWFLSA-N 427.564 4.159 10 20 IICD Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765281076 NPSXGAJOPXWENH-QHCPKHFHSA-N 447.558 4.254 10 20 IICD COc1ccccc1N1CC[C@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 765544900 ILEXOUBJGKMMBU-RBUKOAKNSA-N 429.992 4.362 10 20 IICD COc1ccc(CCNC(=O)Cc2noc(-c3ccc(-n4c(C)ccc4C)cc3)n2)cc1 771164178 UOZWUZNYUIXPHX-UHFFFAOYSA-N 430.508 4.054 10 20 IICD C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccc(N(C)C)cc1 773002034 WRRGPOJNYRIXAV-MRXNPFEDSA-N 431.374 4.441 10 20 IICD C[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccc(N(C)C)cc1 773987626 FOEMTUHVPNJXCU-CQSZACIVSA-N 438.578 4.130 10 20 IICD C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 775201819 GLOULDZAAUZFSD-GOSISDBHSA-N 448.542 4.111 10 20 IICD Cc1ccc(I)cc1NC(=O)NCCCSc1nccs1 775861293 VABPHHPTZUBDRA-UHFFFAOYSA-N 433.340 4.360 10 20 IICD C[C@@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc(N2CCOCC2)c(F)c1 777236987 KLJCUTVPZBHPRB-GOSISDBHSA-N 434.515 4.160 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCn1cnc2sccc2c1=O 777822065 BLKHXTFCEMQPQI-KRWDZBQOSA-N 433.533 4.344 10 20 IICD O=C(CSc1ccccc1C(=O)NCc1ccc(O)c(O)c1)NC1CCCCCCC1 778929877 NYPUNVSSOLFGLW-UHFFFAOYSA-N 442.581 4.349 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cn(-c4ccc(F)c(Cl)c4)nn3)cs2)cc1 784673167 YIDBPLRPVRXCBE-UHFFFAOYSA-N 443.891 4.046 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)cc2)CC1 786254413 DCGQFTAIKYWZQQ-NHCUHLMSSA-N 446.378 4.082 10 20 IICD C[C@@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccc(N(C)C)cc1 787316785 DKHALINLGNWCEQ-LJQANCHMSA-N 438.572 4.162 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc(OC(F)F)c(F)c3)n2)s1 790477564 FXAUIKNVJQCTNO-UHFFFAOYSA-N 435.474 4.425 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(I)ccc1Cl 797634711 YQMGGRSKBHQFEV-SECBINFHSA-N 446.672 4.109 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802558049 JTDQZVKZCDMPIW-UHFFFAOYSA-N 441.940 4.303 10 20 IICD CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807209258 GNSMMBDCBJHTFN-MJGOQNOKSA-N 435.012 4.167 10 20 IICD O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473034 RSKIWAFHBCODOX-GOSISDBHSA-N 426.866 4.388 10 20 IICD Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(C)n1-c1ccccn1 914847164 VOIUTIZOFMPHJQ-UHFFFAOYSA-N 433.537 4.188 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2)C1 918118291 XZYYUJRQKZURBO-SIKLNZKXSA-N 440.975 4.088 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCSc4ccccc43)cc2F)C[C@@H](C)O1 918184968 VRDRTBDCKRRGIF-QINHECLXSA-N 429.561 4.476 10 20 IICD COc1ccc(C2(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCOCC2)cc1 920183061 AURJQNOXJGWPDA-UHFFFAOYSA-N 439.556 4.432 10 20 IICD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 920320805 VXPWICSLUNKMMX-UHFFFAOYSA-N 437.462 4.205 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3C)n2)cc1 1318212785 ISAJVWNXJYKOBV-UHFFFAOYSA-N 435.958 4.209 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2c1 1340875405 FYFJRYQMGNYSSF-GJZGRUSLSA-N 425.504 4.168 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCOCC2)C3)cc1 1800513229 CXIASMBWOSZYCY-RHHYMUMYSA-N 449.595 4.163 10 20 IICD O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)N1CCOCC1 23598031 SRLSJWNWKFTMBI-UHFFFAOYSA-N 427.957 4.203 10 20 IICD COc1ccc2nc(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2c1 117529592 TYMIPZAHGPNNSS-IYBDPMFKSA-N 437.515 4.235 10 20 IICD COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCCC(=O)O 210449715 HDIRMJKXIGQVTI-UNOMPAQXSA-N 426.494 4.248 10 20 IICD O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccccc1C(=O)NC1CCCC1 247722266 BCIJIVXPFQPYBG-UHFFFAOYSA-N 430.480 4.244 10 20 IICD COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccccc2O)cc1 303330100 CMBUUCLOLOSOAF-DEOSSOPVSA-N 429.520 4.211 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)ccc1Cl 327424023 ZULHKGDWAFTMQF-UHFFFAOYSA-N 427.701 4.008 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 726270399 XYVCNWNZRPGCAQ-GOSISDBHSA-N 443.544 4.344 10 20 IICD Cc1cc(C(=O)OCc2nnc(C3CC3)n2C)c(C)n1-c1ccc(Br)cc1 727183866 SKCLMZKRGWQJRM-UHFFFAOYSA-N 429.318 4.220 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1cccc2c1OCCO2 727475988 HRSXFOVSJKQPGP-NRFANRHFSA-N 439.581 4.058 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 730140080 OAOUEXJYYHFWDI-HXUWFJFHSA-N 428.527 4.375 10 20 IICD C[C@@H](c1nnnn1-c1ccccc1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731035410 WADCLEHUYPBAOH-KRWDZBQOSA-N 434.544 4.201 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(C)n1-c1ccccn1 733785110 RFHYIGBZEQDAHO-IBGZPJMESA-N 442.441 4.043 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc(Br)cn3)SC2=S)c1 733812709 CYCVWJDOHLKXGK-OVCLIPMQSA-N 434.340 4.208 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)CC2)cc1 742471458 QSWIMRNTFCHMPY-UHFFFAOYSA-N 425.529 4.313 10 20 IICD CCn1c(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccc21 743505779 HPOUNBLHVIWXEV-MRXNPFEDSA-N 443.498 4.126 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC(C(F)(F)F)CC1 743555172 RMPVYKRXFYETFN-UHFFFAOYSA-N 439.400 4.026 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(F)ccc1SCC(F)F 743956301 PQLBAOOGGAWGOZ-UHFFFAOYSA-N 438.471 4.022 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC3(CCOCC3)C2)sc(C)c1-c1ccccc1 744428743 MNHFBHPMIXKNSX-UHFFFAOYSA-N 442.581 4.341 10 20 IICD Cc1cc(C(=O)OCc2csc(CS(C)(=O)=O)n2)c(C)n1-c1cccc(Cl)c1 744856431 UULCPPVZALAPIB-UHFFFAOYSA-N 438.958 4.106 10 20 IICD CCCC(C)(C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 747683039 DCWLWKFISPEYAJ-GXDHUFHOSA-N 441.416 4.345 10 20 IICD CC(=O)NC1CCC(N(C)C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 752426602 QIIQDKCUUWRXAW-UHFFFAOYSA-N 446.389 4.376 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C 753209865 DJEIIKNZUIDKBO-UHFFFAOYSA-N 444.329 4.242 10 20 IICD COc1ccc(N2CCN(C(=O)CCCc3ccc(Br)s3)CC2)cc1F 753738379 PSDJENMEZGRJQZ-UHFFFAOYSA-N 441.366 4.330 10 20 IICD CC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 755046723 UWENXYYXYMHPRW-MJGOQNOKSA-N 447.526 4.067 10 20 IICD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 756052478 HCYAATUPZMFGGC-WMZHIEFXSA-N 447.583 4.117 10 20 IICD CCOc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1OC(F)F 761964128 CSBFIWLERMQGBV-UHFFFAOYSA-N 440.830 4.010 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc2cc(Br)ccc2[nH]1 762362513 CRJJLOJKRBYYHJ-UHFFFAOYSA-N 448.704 4.254 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(Br)cc2Br)cc1F 768352300 NQYABTZLLAESFD-UHFFFAOYSA-N 430.115 4.347 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(-c2ncccc2F)n1 768384178 GFSUZJUANJJVFO-UHFFFAOYSA-N 448.470 4.344 10 20 IICD C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769899807 MECXLXVZXXTZBK-ZDUSSCGKSA-N 446.525 4.153 10 20 IICD COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772136551 OHWPMFUOVOFEQQ-HXUWFJFHSA-N 438.528 4.352 10 20 IICD C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(N(C)C)cc1 773989876 REIUNVMDNWFCLI-INIZCTEOSA-N 441.528 4.184 10 20 IICD COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776746225 UFRMEFUNFRPHRY-UHFFFAOYSA-N 442.518 4.487 10 20 IICD CN(C)c1ccc([C@@H](CNC2CCC(O)(C(F)(F)F)CC2)NC(=O)OC(C)(C)C)cc1 777301561 KONBUUOQYAXBRP-NCYVPVAZSA-N 445.526 4.144 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H](F)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 778287885 FUUKNINBUMORRV-SFTDATJTSA-N 429.536 4.015 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cccc(C(F)F)c2)nc1-c1ccccc1 780703850 UMACMUAXLVBSHO-UHFFFAOYSA-N 438.477 4.264 10 20 IICD Cc1nnc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2)o1 782896422 NFYMIXVWLRALAQ-UHFFFAOYSA-N 434.496 4.051 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 783316180 JHSODXZTEUQPOM-UHFFFAOYSA-N 442.991 4.382 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc1F 784479275 ULIHJKMQVBAHNU-UHFFFAOYSA-N 426.536 4.442 10 20 IICD Cc1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nc1 789865536 PSWWHUXSBDQKGM-GZTJUZNOSA-N 431.608 4.092 10 20 IICD COC(=O)c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1 793568270 CIEKUCCMQBKWKF-GOSISDBHSA-N 434.330 4.123 10 20 IICD COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(O)c1 794370620 QWEGHWBEIYIZNC-NRFANRHFSA-N 438.911 4.232 10 20 IICD COc1cc(Cl)cc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c1O 796014746 PFAVIXPFBVJSIS-UHFFFAOYSA-N 437.725 4.029 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)C[C@H](C)[S@]1=O 804436463 YBQOOKWBWQKPIM-MHFGXUCGSA-N 444.622 4.097 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1Cl)CC1CC1 804976326 XBVFINOZDCQREH-UHFFFAOYSA-N 431.939 4.438 10 20 IICD CC(C)[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)N1CCOCC1 814771996 LFHDSZOUIZHOSB-RLGUWMIQSA-N 446.619 4.488 10 20 IICD COc1cc(O)c(CN2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 816633407 AYOJMMGMZPVOJA-MSOLQXFVSA-N 434.577 4.269 10 20 IICD O=C1N[C@H](c2ccc(N3CCCCC3)c(Br)c2)N2CCc3ccccc3[C@H]12 877857048 KTYMUWBBEAQSEU-RTWAWAEBSA-N 426.358 4.167 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 915852216 MXFKMDZUKWQTDO-QGOAFFKASA-N 429.567 4.335 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(-n2cccn2)cc1 916631068 BCGFMMIQBMYWIW-UHFFFAOYSA-N 445.445 4.049 10 20 IICD O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc(N2CCSCC2)cc1 917386594 FPDWDTUSESJCJZ-UHFFFAOYSA-N 446.572 4.166 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)c2C)c1 917401691 JFZCJUHEBUJKGW-UHFFFAOYSA-N 426.538 4.060 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc(Br)c3)c2C)cc1 917694603 ITBMCXQMRSKGGH-UHFFFAOYSA-N 442.361 4.114 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccccc3)cc2)C1 918122929 NUUSMPZSRFWQHP-UPVQGACJSA-N 434.584 4.215 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Br)cc1 918311774 YTKYUNLUXIYTJM-UHFFFAOYSA-N 430.346 4.037 10 20 IICD Cc1cc(C(=O)COC(=O)c2csc(-c3cnn(C)c3)n2)c(C)n1-c1cccc(F)c1 919425908 NSHVDCBXNQSKBW-UHFFFAOYSA-N 438.484 4.130 10 20 IICD CC(C)c1ccc(OC2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 919790181 PDHQHNALHMMBLR-UHFFFAOYSA-N 437.584 4.400 10 20 IICD C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1 920035117 VMLRQCYOMZJCTE-ZDUSSCGKSA-N 432.407 4.043 10 20 IICD C[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(N2CCOCC2)cc1 920886947 RQOCHUIDPALFTQ-CQSZACIVSA-N 433.430 4.394 10 20 IICD O=C(COc1ccc(Cl)cc1Br)NCc1cccc(Br)c1O 1320783015 GUXRWJGYXQQFPI-UHFFFAOYSA-N 449.526 4.266 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3nc(-c4ccccc4)oc3C(C)C)cc2)CC1 1323084233 SBIXBQGADANXMT-UHFFFAOYSA-N 446.551 4.064 10 20 IICD Cc1csc([C@H](N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)n1 1342338958 VAYYDZQQJZQLTF-SPLOXXLWSA-N 445.544 4.295 10 20 IICD CC/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821295535 YXHYVXALVLBFLN-JCSUNJAGSA-N 432.908 4.137 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3c(F)cccc3F)N(C)C)ccc21 604340848 MAZYAFITNGUSQJ-JOCHJYFZSA-N 429.511 4.215 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2ccn(-c3ccccc3)n2)cc1 726253780 RYXULGRGUBABGB-UHFFFAOYSA-N 443.551 4.486 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1F 726630175 ULQYKJWFYSHDRM-MFOYZWKCSA-N 435.498 4.266 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)O[C@H]1C=CCCC1 733433504 MZNGCTFGYRFYEV-GWQWUEFDSA-N 438.368 4.302 10 20 IICD COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)cc1 734703253 KGCUTXHJLXVHHM-UHFFFAOYSA-N 449.576 4.476 10 20 IICD COc1ccnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 734911234 ITSQOHVYVIDAHT-UHFFFAOYSA-N 430.407 4.139 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3OCC3CC3)cc2F)CC1 741074518 ATEICVHTXPKIMC-UHFFFAOYSA-N 426.536 4.078 10 20 IICD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1C 747147779 CPGRPGBEXKQYAY-PXLXIMEGSA-N 444.560 4.459 10 20 IICD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 748980102 GFWOFUNDYKSTOD-UHFFFAOYSA-N 436.600 4.080 10 20 IICD COC(=O)[C@@]1(F)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 751939588 SEQPFFXRUBJDQR-HSZRJFAPSA-N 445.874 4.214 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@@H](Oc2cccc(F)c2)C1 753155817 XCOMFRPDKXETFL-OAQYLSRUSA-N 449.473 4.259 10 20 IICD OC1CCN(c2ccc(CNc3ncnc4cc(F)c(Br)cc34)cc2F)CC1 753549318 LWAZAGICCMJKIN-UHFFFAOYSA-N 449.299 4.244 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754158304 CLDPEEHDTJITQV-IRLDBZIGSA-N 429.561 4.098 10 20 IICD COc1cccc([C@@H](O)CN[C@@H](C)c2cc(Br)cc(Br)c2O)c1 756563801 NDGREKBRRSQWGH-QFYYESIMSA-N 445.151 4.310 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 758414664 CUBMAUSIBHRQNS-ONDHQXCVSA-N 443.546 4.037 10 20 IICD C[C@@H](Cc1cccc(Br)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761127693 PRHFOTFOFZSRIV-LBPRGKRZSA-N 437.721 4.204 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3cc(Br)cc4c3OCC4)SC2=S)cn1 764884076 AXYPCEPBJGHYLI-AUWJEWJLSA-N 436.356 4.006 10 20 IICD O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1OCc1ccccc1 765002057 NYBJJEIEHBKBCO-UHFFFAOYSA-N 448.523 4.390 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cccc12 766741572 LOOKWJWQTHXUMV-UHFFFAOYSA-N 439.537 4.203 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@]2(C1)OCc1ccccc12 771330438 IDHCTCWSOYRMIP-MHECFPHRSA-N 443.494 4.098 10 20 IICD CC(=O)Nc1ncccc1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 771471489 AYMUWUUNIFFCAM-UHFFFAOYSA-N 427.302 4.462 10 20 IICD C[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 775259458 UHTYFDISLJYGAR-LVXARBLLSA-N 432.564 4.281 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 779069412 RTAYWVGFCZPJTM-OAHLLOKOSA-N 426.513 4.147 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 779484919 WNEFAFWOYNKVNG-WQLSENKSSA-N 425.488 4.339 10 20 IICD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OCc2ccccc2)c1 785994942 RUZHRNHOFSVYQK-SFHVURJKSA-N 447.535 4.156 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 788500633 DQJDGKNFPFFZIF-GPXNEJASSA-N 438.568 4.081 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3ccc(F)cc3C)CC2)c1 793546550 QLYJFQNYSQDCSK-UHFFFAOYSA-N 440.559 4.254 10 20 IICD Cc1cc(C(=O)N(CCCO)Cc2ccccn2)c(C)n1-c1ccc(Br)cc1 794350863 KMZBJZVTBRVEEI-UHFFFAOYSA-N 442.357 4.276 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC([C@@H]2CCOC2)CC1 802377776 PCNFIWZFRYHUJH-JOCHJYFZSA-N 449.599 4.252 10 20 IICD Cc1cc(-c2nnc(N(C)CCOCC3CC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802763053 AVTFTBULYPKTAZ-JOCHJYFZSA-N 449.599 4.252 10 20 IICD C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C 805370466 NCWKVJWKBMUPOT-RISCZKNCSA-N 432.348 4.286 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](CCNC(C)=O)C3)c2C)c1 805822600 PRALHAVJCLDOQX-FQEVSTJZSA-N 427.614 4.237 10 20 IICD CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(Br)cc(OC)c1O 809735424 GLUQXBUDGLYPNA-LJQANCHMSA-N 434.378 4.045 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2ccc3ccccc3c2)n1C[C@@H]1CCOC1 812382813 SUEFMBIGLPJTDJ-FQEVSTJZSA-N 428.536 4.401 10 20 IICD C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 812437089 QRPJIJZPWXTSRI-MJGOQNOKSA-N 440.519 4.468 10 20 IICD COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)C2)sc(C)c1-c1ccc(Cl)cc1Cl 914727039 KYAJNFQNLNCGKK-JTQLQIEISA-N 441.336 4.234 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2F)C[C@H](C)O1 917087298 WZPVIXRIPINAJY-IRXDYDNUSA-N 432.503 4.180 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 917525105 YPFJFMCKYKAWMJ-JWGURIENSA-N 444.564 4.124 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917951194 CEFJMCIRHRTJOX-DEBLGDTFSA-N 431.469 4.107 10 20 IICD Cc1nccn1-c1ccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1 918662201 ZXPPCFRLCFYBOS-UHFFFAOYSA-N 433.943 4.496 10 20 IICD Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)cc2)c1 919730573 GAYFBTHTABLOKI-UHFFFAOYSA-N 438.549 4.102 10 20 IICD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919766969 CUGQXEMJCVYARS-UHFFFAOYSA-N 430.508 4.097 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 920240835 FCVYMHRWCCEJRL-JTHBVZDNSA-N 425.598 4.207 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1OC 920418387 OZJGNBLGGKGBJQ-GOSISDBHSA-N 447.535 4.270 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Br)cs3)cc2F)C[C@H](C)O1 921280705 JVJTYOKPVZKVFE-RYUDHWBXSA-N 427.339 4.193 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2ccc(Cl)s2)C1 1116168479 BCCRUGCCQZJSSI-KRWDZBQOSA-N 438.018 4.238 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)C(C)C)[C@@H]2c2cccnc2)cc1 1811264947 SLZQPRMHULGCIW-ILBGXUMGSA-N 444.579 4.465 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(CNC(C)=O)cc2)cc1 98079933 OVZOVRCSOSEIKX-UHFFFAOYSA-N 431.536 4.244 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)ccc21 482368719 VJDLJTZNXZXBTO-AREMUKBSSA-N 449.595 4.480 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1 729039608 YFZJPRBBBJGWCP-HNNXBMFYSA-N 445.516 4.187 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2cccc(OC)c2O)cc1 729861476 PATSWFQVUNEVIL-UHFFFAOYSA-N 443.503 4.121 10 20 IICD C[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(N2CCOCC2)cc1 731617478 LXJXLFIKIUFUTA-HXUWFJFHSA-N 444.531 4.406 10 20 IICD Cc1cc(CC(=O)N(C)CC(=O)NCc2cccs2)c(C)n1-c1ccc(Cl)cc1 732964452 BJWIGAMRXXROTG-UHFFFAOYSA-N 429.973 4.126 10 20 IICD COc1ccc(O)c(CNC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c1 734016132 AITWOYSQMAIJLB-UHFFFAOYSA-N 433.504 4.431 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1 737127296 QFGFYJPYMGCAAF-UHFFFAOYSA-N 444.579 4.424 10 20 IICD O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 740457360 DSIRGOYOTQOIHI-OAQYLSRUSA-N 447.482 4.246 10 20 IICD CCOC(=O)c1ccc(NC(=S)NNc2c(F)cc(F)cc2Br)cc1 741863145 RUNMDRYLFWPUDW-UHFFFAOYSA-N 430.274 4.218 10 20 IICD COc1cccc([C@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742752126 YUKUYFRCCCXLHD-HTAPYJJXSA-N 441.572 4.247 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2C)no1 742798687 BTENMNXSMQYATG-KRWDZBQOSA-N 444.482 4.391 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccccc2OC(F)F)cc1)C1CCCCC1 743422053 ZNRQFQHRCYFLGG-UHFFFAOYSA-N 431.483 4.312 10 20 IICD C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 745798130 WGLMYYOBUSAEFJ-SJLPKXTDSA-N 431.577 4.106 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2ccccc2Cl)nc1 746514721 QVECNQWYLDKFDN-UHFFFAOYSA-N 441.890 4.433 10 20 IICD Cc1nnc(-c2ccc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)o1 747568867 XPHHLQGJYHWNPY-GASCZTMLSA-N 439.491 4.119 10 20 IICD Cn1ccnc1SCc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 749172505 NHXVLVYIOAQDCP-UHFFFAOYSA-N 438.622 4.196 10 20 IICD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(-c2ccccn2)nc2ccccn12 751307211 HDCORFBSYINIRJ-CYBMUJFWSA-N 437.843 4.364 10 20 IICD Cc1noc(C)c1[C@H](C)CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754052854 RUQULWWWBYCKDO-FOIQADDNSA-N 444.576 4.233 10 20 IICD C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(Br)ccc1O 756463868 FAXPWGSYJHOKSZ-ZDUSSCGKSA-N 441.391 4.082 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)CC2)cc1 758448212 GOCPCSJRJPIDRO-UPVQGACJSA-N 441.547 4.365 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)cc2)CC1 758679016 JZJHEIZOSRJXAJ-NOZRDPDXSA-N 425.548 4.027 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)c(C)c1 760303417 CJVIQVRCMNMVHF-UHFFFAOYSA-N 427.551 4.457 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)c(C(F)(F)F)c(F)c1 760354915 YFJPBWDOLLEWPI-UHFFFAOYSA-N 428.401 4.122 10 20 IICD CCO[C@@H]1C[C@H](N[C@H](C)c2cc(Br)cc(Br)c2O)[C@@]12CCCO2 760881067 NHMPWEIUSYBKGB-VWPGPWOISA-N 449.183 4.294 10 20 IICD O=C1CN(Cc2cccc(Br)c2)C(=O)N1Cc1ccc(N2CCCC2)cc1 761090609 KFOKQQUWXAOIPT-UHFFFAOYSA-N 428.330 4.014 10 20 IICD Cc1csc(Sc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2[N+](=O)[O-])n1 763281252 URPKHPUCJQBCKV-LLVKDONJSA-N 445.522 4.283 10 20 IICD CC(C)c1csc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 763585953 DXUZFGWNJAAFEF-UHFFFAOYSA-N 442.507 4.121 10 20 IICD CC(=O)NCCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 763744048 QDSPIUZQVYOLGB-IBGZPJMESA-N 432.520 4.201 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1Cl 764926179 IZGBUEDIUSENEA-QGZVFWFLSA-N 445.966 4.271 10 20 IICD COc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1N1CCCCC1=O 765245706 YIIXEAWTSHLEGT-UHFFFAOYSA-N 448.317 4.002 10 20 IICD COc1cc(O)c(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cc1OC 768464941 CPAINBPJHDFJLV-HNNXBMFYSA-N 435.362 4.051 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2cc(F)ccc2C1 769164172 QNTUEPPCCIQNQY-PDGQHHTCSA-N 446.594 4.454 10 20 IICD Cc1cc2c(N3CCC[C@@H]3C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ncnc2s1 770480187 JVVUAMUTJZEOLE-OAQYLSRUSA-N 435.597 4.226 10 20 IICD COc1ccc(N2CCCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 774653924 NPTZBTZHYPFMMJ-UHFFFAOYSA-N 446.376 4.369 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 776009546 JWRODSXFQQVFKT-KOSHJBKYSA-N 425.550 4.093 10 20 IICD CC(=O)N1CC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc2C1 779049142 STZVHQYQFQQIGT-HSZRJFAPSA-N 429.511 4.340 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 779517460 BIYGBOHHOSNGCA-UITAMQMPSA-N 445.443 4.002 10 20 IICD C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 781049270 LILGRHYOBHOOOS-NEPJUHHUSA-N 448.488 4.058 10 20 IICD COc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782429268 YOKGHIHMQVMYOB-UHFFFAOYSA-N 441.915 4.175 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1)c1ccc(N)cc1 783487550 WQZDBZPKBJJREO-QGZVFWFLSA-N 425.492 4.392 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)c(C(F)(F)F)cc1F 804416205 LTVNJZRPBUPJLR-UHFFFAOYSA-N 432.364 4.014 10 20 IICD Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 805167885 QMGNBXDUNBIRFP-TXEJJXNPSA-N 426.319 4.380 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(F)cc3OC3CCOCC3)CC2)cc1 806644875 LXSOLHPRZRJZEC-UHFFFAOYSA-N 443.519 4.136 10 20 IICD CC(C)CCOc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 807511176 GWCQNBZTBDFHDU-UHFFFAOYSA-N 425.312 4.379 10 20 IICD COC(=O)c1cn(-c2cccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)c2)nn1 812980229 PSMHQNVCWRCCRB-UHFFFAOYSA-N 449.511 4.126 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)cc2)CC1 813062062 BJYSHMFALSHHHK-HHHXNRCGSA-N 435.612 4.450 10 20 IICD C[C@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)Cc2ccccc2O1 813622099 LKPVEJCLQNIUFL-INIZCTEOSA-N 431.483 4.250 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(N2CCCCC2)cc1 916668072 FHXUVLVJFSZMBU-UHFFFAOYSA-N 426.536 4.099 10 20 IICD CC(C)[C@@H](NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2c(c1)OCCO2 917073980 KYRLPPRJIUFJKH-AREMUKBSSA-N 437.584 4.002 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(Cl)cc1 917998734 MWYXIWVZONVUCW-UHFFFAOYSA-N 425.916 4.375 10 20 IICD CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 918198409 BMYUZZMGHDMUOE-XNTDXEJSSA-N 441.502 4.097 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc(OC)c1OCc1ccccc1 918374585 OFELVIBVXMIYAT-UHFFFAOYSA-N 448.519 4.372 10 20 IICD C[C@@H](Cc1cccc(Br)c1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 920811990 PZNZOWGDTHHRSJ-OXJNMPFZSA-N 447.373 4.477 10 20 IICD CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 920873114 MKQVIPVUSOBDOB-LJQANCHMSA-N 434.540 4.432 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(Br)c(F)c1 921283614 GWHTYFRODIWJJT-UHFFFAOYSA-N 432.337 4.373 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 1253852871 IELNVVAMGFHOAH-UHFFFAOYSA-N 425.529 4.395 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nccs2)cc1 1795272188 ORTJOCSNIFEOKS-NUZGMZIFSA-N 434.565 4.116 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@]2(C)CC2(F)F)C3)cc1 1800514740 ATBHJJTYDUXITG-LOCCHRAXSA-N 441.522 4.391 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 10229964 MPYIJMITXQAQLX-UHFFFAOYSA-N 436.581 4.443 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1 97099257 KZUGTHNVSXGBPX-UHFFFAOYSA-N 437.584 4.189 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 109570080 URFHEALAXJYDNQ-RTWAWAEBSA-N 429.358 4.048 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 111212575 ZJYDWCKTRSENNA-UHFFFAOYSA-N 429.369 4.090 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)cc2F)cc1 302763259 GROPSAJIWQUPDL-GOSISDBHSA-N 435.337 4.476 10 20 IICD C[C@H](NC(=O)NCc1nc2cc(Cl)ccc2s1)c1ccc(N2CCOCC2)cc1 726242920 COQJQXMMQNVVSC-AWEZNQCLSA-N 430.961 4.347 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 727031835 ZHYQZOYWINCABB-UHFFFAOYSA-N 427.976 4.440 10 20 IICD O=C(COC(=O)c1cc(O)cs1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 732353948 XBXMCPJOHPIIAL-UHFFFAOYSA-N 430.869 4.155 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cnc1Cl 735407745 OPDNAYSUCPZGFC-UHFFFAOYSA-N 431.930 4.153 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1C 735931149 VURSUMGQDFKIBY-UHFFFAOYSA-N 435.572 4.041 10 20 IICD Cc1cc(C)cc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 740908311 XUJSKBJOOUFQSS-UHFFFAOYSA-N 435.490 4.201 10 20 IICD Cc1cccc2oc(CCNC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)nc12 743708848 LKTZOCPALPBXAI-UHFFFAOYSA-N 444.482 4.248 10 20 IICD CN(C)Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)oc2ccccc12 743736012 MCURPTNFEKFHMK-MRXNPFEDSA-N 443.494 4.495 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)c1ccccc1 745648074 OIVGUTOUAABTIB-HSZRJFAPSA-N 427.564 4.342 10 20 IICD CCN(Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 746214188 PAOJOWRXNDJFIX-UHFFFAOYSA-N 432.362 4.017 10 20 IICD O=C(NCCc1nc2ccccc2s1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 746414746 SUGSOJCDBQMREU-HNNXBMFYSA-N 446.523 4.408 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3cc(Br)c(OC)s3)SC2=S)cn1 746521650 CISPERBXVCHTGB-WZUFQYTHSA-N 430.374 4.141 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 747857285 LJFLZHCYSUWFNM-UHFFFAOYSA-N 446.550 4.331 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)cc1 753348937 KYKZRIOMMYHLLF-UHFFFAOYSA-N 440.297 4.440 10 20 IICD Cc1ccc([C@@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c(O)c1C 756597771 PKGJKDGVIVKHHD-QGZVFWFLSA-N 426.538 4.451 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)c2C)c1 757614460 QCXOOEBTLNQPKC-UHFFFAOYSA-N 445.629 4.033 10 20 IICD COc1cccc(C2=CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)C2)c1 758384878 UYGSNXULGQJBPL-ROUUACIJSA-N 439.531 4.057 10 20 IICD Cc1c(NC(=O)[C@@H](C)Sc2ncc(C(C)(C)C)s2)c(=O)n(-c2ccccc2)n1C 759719959 QXJOKPVFPUCTRG-CQSZACIVSA-N 430.599 4.358 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cccc1C(F)(F)F 761655663 JPCKQRFTHZJLSV-MRXNPFEDSA-N 434.462 4.037 10 20 IICD Fc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)ccc1N1CCN(c2ncccn2)CC1 763396370 SETAEJVBJPWNAU-JOCHJYFZSA-N 437.950 4.373 10 20 IICD Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nn1CCCOc1ccc(F)cc1 767427164 WWSWDLMXEJEPDZ-UHFFFAOYSA-N 442.510 4.388 10 20 IICD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 768025903 RTWJLUDFCDBCGG-UHFFFAOYSA-N 447.583 4.141 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(CSc4nccn4C)c3)c2)CC1 771638063 YKFGJEGHJXSCOI-UHFFFAOYSA-N 435.597 4.107 10 20 IICD C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCOCC2)cc1 772424536 VIQYXYMBPOTJQL-MRXNPFEDSA-N 425.529 4.206 10 20 IICD C[C@@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc(N(C)C)cc1 775654114 KTAVSUXYJLPFHV-CYBMUJFWSA-N 425.924 4.142 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)c4cccnc34)CC2)cc1F 775922420 SWXBGJGUFBMIOU-UHFFFAOYSA-N 446.429 4.338 10 20 IICD COc1ccc(O)c(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 777481512 JWWRMDWYRZOACY-DEOSSOPVSA-N 425.550 4.300 10 20 IICD CCCOc1ccccc1NCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC 777632678 PZHNWUNAPHCNLL-UHFFFAOYSA-N 430.574 4.098 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc2c(=O)n(C)c(S)nc2c1 777822608 IUWGAOPRSGWEOJ-MRXNPFEDSA-N 445.544 4.331 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 783317221 OQGJRPASRDWBQJ-UHFFFAOYSA-N 447.539 4.056 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)ccc1C 783483294 ROKZKNWYKQLGKT-QGZVFWFLSA-N 430.508 4.269 10 20 IICD CCOC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483365 UYJSEMHHHMSXMA-KRWDZBQOSA-N 431.492 4.178 10 20 IICD COc1ccc(N2CCC(NCc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC2)cc1 784535060 XPULXVOFRVUOFI-UHFFFAOYSA-N 432.355 4.341 10 20 IICD CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 799187341 PVIIXUYHXLSCDG-UHFFFAOYSA-N 441.534 4.007 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 802609872 NLKQRHXIRRLGTR-UHFFFAOYSA-N 432.524 4.223 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 802609916 MGOSZIPUSIAGGO-UHFFFAOYSA-N 426.513 4.447 10 20 IICD CN(C)c1ccc([C@@H](CNc2nc(C(F)(F)F)ns2)NC(=O)OC(C)(C)C)cc1 804679842 FXHIDNVLGSYOSZ-CYBMUJFWSA-N 431.484 4.301 10 20 IICD Cc1cc(Br)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)s1 805135192 PPKRCTNUPXYHTJ-UHFFFAOYSA-N 431.160 4.310 10 20 IICD CCOC(=O)C(C)(C)c1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 806820857 HAKORBBHQDXDQW-UHFFFAOYSA-N 430.574 4.246 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 808830602 HOGUCTDZMQJIEQ-UHFFFAOYSA-N 446.551 4.347 10 20 IICD CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(O)c(COC(C)C)c3)cc2c1C 811705601 WTGSDHMXOBDTJL-UHFFFAOYSA-N 447.509 4.349 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)cc1 814284337 RBPQHXLDMLKOEN-BKUYFWCQSA-N 435.574 4.384 10 20 IICD O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NCc1ccccn1 814773462 SMAVCUQNBBRHJS-RQZCQDPDSA-N 425.560 4.316 10 20 IICD Cc1sc(NC(=O)CS(=O)(=O)CC(C)C)c(C(=O)OC(C)C)c1-c1ccccc1 915844629 SOKVGCVGNXCOON-UHFFFAOYSA-N 437.583 4.298 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCSc4ccccc43)cc2F)C[C@@H](C)O1 917041492 UCYMDGUUNXMAMW-QZTJIDSGSA-N 443.588 4.058 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc4ccccc4n3)cc2F)C[C@H](C)O1 917166677 YWZRQPYJYABIFT-IRXDYDNUSA-N 439.556 4.396 10 20 IICD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918123361 VGFJNNLGDICOAC-KRWDZBQOSA-N 449.382 4.037 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(N4CCCC4)c3)cc2F)C[C@@H](C)O1 919778919 ODKGHHGEPDOODL-HDICACEKSA-N 426.536 4.361 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC[C@@H]2CCCO2)c1 919910971 DZKZTFRZXAMKGT-SFTDATJTSA-N 440.540 4.472 10 20 IICD C[C@@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(N2CCOCC2)cc1 920887713 HOXSCUJVZXXEIA-OAHLLOKOSA-N 446.523 4.065 10 20 IICD C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(N2CCOCC2)cc1 1318803085 CMHFHTZQVYEZLP-AVRDEDQJSA-N 445.604 4.174 10 20 IICD C[C@@H](NC(=O)NCCc1ccc(OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 1320028275 QZYXXDYRJHWNQH-LJQANCHMSA-N 425.573 4.303 10 20 IICD Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C)c1Br 1321410738 UXBRUEWIWYGWAB-AWEZNQCLSA-N 433.350 4.180 10 20 IICD CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)o2)cc1 27434534 VPRBUJGCACVRHH-UHFFFAOYSA-N 434.492 4.031 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3CNC(=O)c3ccccc3)ccc21 471437316 SBLHYXZQFDNOBO-QHCPKHFHSA-N 447.579 4.329 10 20 IICD Cc1c(CNC(=O)N(CCO)Cc2cc(Br)ccc2F)n(C)c2ccccc12 472238801 KTDALAXYFAJLDM-UHFFFAOYSA-N 448.336 4.092 10 20 IICD CC1=NN(c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)CC1 726568262 ZYDNDFYKFJKOJT-UHFFFAOYSA-N 428.483 4.273 10 20 IICD O=C(Nc1cccc(-n2cccn2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726694668 HCXBRWHMXFVJTL-UHFFFAOYSA-N 427.455 4.264 10 20 IICD Cc1ccc2c(Cl)c(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)sc2c1 729327180 YZJDLQMTIRJGSK-UHFFFAOYSA-N 448.997 4.028 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 730118532 YEFSRJTYQLMKEV-GOSISDBHSA-N 430.593 4.122 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccccc3)[C@H](C)C3CC3)cc2F)CC1 731283531 LMTBWPIITMWUST-HXUWFJFHSA-N 438.591 4.478 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCCc1nnc(SC)n1C1CCCC1 731283711 ORSYPMNXKXYBFT-UHFFFAOYSA-N 431.606 4.375 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F 731404399 LJBNFTVKFCIEFB-GOSISDBHSA-N 436.572 4.118 10 20 IICD CC(C)n1ncc2c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc(C3CC3)nc21 735517988 PIQGNMABRPNNGW-IBGZPJMESA-N 434.540 4.417 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1O 737278003 BVLRYVTYXCHJJZ-UHFFFAOYSA-N 426.856 4.101 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc(C(=O)Nc4ccccc4)nn3)cc2F)C[C@@H](C)O1 737398341 NRVNXPGWIXHQNR-CALCHBBNSA-N 435.503 4.094 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(OCc4ccccc4)ccc3O)CC2)cc1 738512583 AGEVAXZXOBISLH-UHFFFAOYSA-N 432.520 4.332 10 20 IICD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCCSc1nccs1 741694113 WQXBFIHEVGJMSN-LBPRGKRZSA-N 427.389 4.413 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 741695835 IXTGSFILYYGFAS-UHFFFAOYSA-N 443.975 4.073 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1nc(NCc2ccco2)ncc1Cl 742468519 HSVGGTDKFSUNLZ-UHFFFAOYSA-N 425.920 4.255 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cnn1-c1ccc(Cl)cc1 743045884 CYFOVPINLJWLHG-UHFFFAOYSA-N 431.930 4.153 10 20 IICD O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743150417 SIJSCNTTZAHPHV-QGZVFWFLSA-N 427.455 4.469 10 20 IICD COc1ccc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c(OC)c1OC 743284423 MHOQYEMPVKDDOJ-MCRQTXEHSA-N 441.574 4.471 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743552393 MURDRLJLNHBDGN-LJQANCHMSA-N 444.526 4.356 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 743701815 BJLRGGMAMMKNCW-KRWDZBQOSA-N 437.544 4.494 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 743719378 ZRUPBZMYAWTUOC-INIZCTEOSA-N 433.335 4.247 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ccc(OC)cc1OC 743871192 VTYXLDSPLSFXQO-CYBMUJFWSA-N 437.334 4.021 10 20 IICD CC(C)(C)n1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 744061121 ZPRPFYZABOEBJY-XNTDXEJSSA-N 434.612 4.320 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccc(O)cc3)CC3CC3)cc2F)C[C@@H](C)O1 745649762 XLWLOWPTGBMXBC-HDICACEKSA-N 441.547 4.267 10 20 IICD COc1cccc(CNC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1O 745664331 JGAHDNPQPLVLDR-UHFFFAOYSA-N 434.496 4.353 10 20 IICD C[C@@H](SCC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc2ccccc2[nH]1 746589358 XMGFTDNJVGEBMV-MRXNPFEDSA-N 426.611 4.227 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 756608946 MNSYIGGDXHEJED-QZTJIDSGSA-N 438.540 4.017 10 20 IICD CC(C)Oc1ccc(N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 759927390 GEYDKDJYQPCNNK-UHFFFAOYSA-N 444.443 4.434 10 20 IICD C[C@@H]1C[C@@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CN1Cc1ccccc1 762232272 YGTLVPMKRPWMLW-IEBWSBKVSA-N 441.959 4.111 10 20 IICD Cc1oc2ccccc2c1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 767244853 PFHJNQWQGLJNAP-UHFFFAOYSA-N 440.411 4.355 10 20 IICD COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC(F)F 768912586 PBHVZSGFVZHBDJ-MRXNPFEDSA-N 440.874 4.050 10 20 IICD Cc1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)c1 773064134 UUBGAKHTNQZSKJ-UHFFFAOYSA-N 445.401 4.215 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C(F)(F)F)cc1 775991245 BYUIUKDGEXMQQQ-LJQANCHMSA-N 439.503 4.351 10 20 IICD CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 776004783 YHURXLWKIIUDJB-CYFREDJKSA-N 434.536 4.354 10 20 IICD COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 777151143 WAAWXMHAOGVDJH-MRXNPFEDSA-N 437.500 4.024 10 20 IICD C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1(C)C 780808477 KOOPEFHMFSDDBG-LSTHTHJFSA-N 445.604 4.076 10 20 IICD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 782754757 MYLXLPMZEALRSF-MRXNPFEDSA-N 447.557 4.326 10 20 IICD Cc1cc(-c2ncccc2NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cs1 782894429 VDOCUXMERKOKOG-UHFFFAOYSA-N 426.517 4.416 10 20 IICD Cc1cc(Br)cc2c1[C@@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CC2 786795325 CFOZZUGRVYZSIE-RXVVDRJESA-N 442.401 4.236 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C(F)(F)F)cs1 786972161 IMULKPPJNWZAPA-LBPRGKRZSA-N 430.521 4.276 10 20 IICD Cc1cc(F)c(Br)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 789347655 NUKIWPODNHOAGS-UHFFFAOYSA-N 440.288 4.194 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1scc(Br)c1Br 790415324 DMALEJHSXSUKMN-UHFFFAOYSA-N 441.166 4.342 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790939945 YXJZJZJZFAMALY-UHFFFAOYSA-N 425.529 4.458 10 20 IICD O=C(NCc1ccc2ncccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 792032913 KPMBVEIRKPQKED-UHFFFAOYSA-N 444.457 4.090 10 20 IICD CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 797432765 RKUKAPCMCYLMKQ-HMFYCAOWSA-N 443.567 4.093 10 20 IICD C[C@H](CCc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800970546 CDVJGNQKFQQQHD-QGZVFWFLSA-N 440.531 4.051 10 20 IICD Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2ccnn2C)c1 801647960 SFACFOHGCKWBKV-AQTBWJFISA-N 429.567 4.242 10 20 IICD CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806432680 PVOXVHCCCLRXMY-NHCUHLMSSA-N 434.367 4.393 10 20 IICD CCC(CC)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 807667180 STBJRWOHMYGHEH-UHFFFAOYSA-N 434.536 4.388 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(-c4ccccn4)cc3)CC2)cc1 810333883 NWODQMNZHJMTCX-UHFFFAOYSA-N 445.567 4.091 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)NCCCSc3nccs3)CC2)cc1 813098568 JOLZNMVBRXLUSZ-IBGZPJMESA-N 435.615 4.179 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](c3ccccc3F)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 815579617 RCZGDPVIRMMVKQ-WXAIXHMISA-N 442.600 4.328 10 20 IICD COc1ccc(Br)c(C(=O)NCCCNCc2ccc3ccccc3c2O)c1 816546224 BZTYBFIVODDPIY-UHFFFAOYSA-N 443.341 4.226 10 20 IICD CCNC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 914717253 GOUSBHOQKPYWGD-PJCCXHTNSA-N 442.563 4.042 10 20 IICD CCN(CC)CCOc1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 916625812 QYCDHHLKPFKPPP-UHFFFAOYSA-N 442.629 4.282 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(SC(F)F)cc1 916667396 UUXODXVQHSWELZ-UHFFFAOYSA-N 425.476 4.423 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2F)C[C@H](C)O1 917170118 XUSNRUMEGBLAEN-GJZGRUSLSA-N 440.437 4.153 10 20 IICD C[C@@H](COc1ccccc1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 917776123 JVNQHVFHIBKJRU-VUODPORTSA-N 446.619 4.313 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccc(F)cc2)CCCC1 918211581 PFQVAPMPIQRUFN-UHFFFAOYSA-N 439.575 4.346 10 20 IICD Cc1cc(CCNC(=O)Nc2ccccc2CN2C(=O)CCC2=O)c(C)n1-c1ccccc1 920343646 YVJQONOVTPHZGZ-UHFFFAOYSA-N 444.535 4.107 10 20 IICD CC(=O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775827 VDEJNOIJBPGAKB-UHFFFAOYSA-N 444.915 4.114 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc2ccoc2c1 1800718088 CRRJAKLRQYCBAR-BJWYYQGGSA-N 440.883 4.063 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(F)cc3)C2)cc1 1844932183 OCQFEKKNYQIKQN-UHFFFAOYSA-N 431.511 4.364 10 20 IICD Cc1cc(C(=O)CN2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccc(F)c(Cl)c1 108174718 QPIWQBVWKLTBKZ-UHFFFAOYSA-N 433.955 4.306 10 20 IICD Fc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 237914953 NAIBFMDLDRYSEB-UHFFFAOYSA-N 434.437 4.361 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3nc(Cc4ccccc4)no3)ccc21 427217666 RFRIJHXXCRWJII-KRWDZBQOSA-N 432.524 4.369 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCN(c4ccccc4OC)C3)ccc21 486132598 IAQQMUKNUNMQLE-FQEVSTJZSA-N 435.568 4.169 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N2CCCCCC2)nc1 726567321 GZCQECQOGACZPZ-UHFFFAOYSA-N 444.526 4.462 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1 727854987 CMZOEWBYGDDOPM-OAQYLSRUSA-N 445.567 4.471 10 20 IICD CSc1nnc(CCCNC(=O)NCc2ccc(N3CCCC3)cc2)n1C1CCCC1 728128335 KMDCEOOYUFRJBB-UHFFFAOYSA-N 442.633 4.147 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOC4=O)cc3)ccc21 728470851 RKFYRIUIIGNIPQ-KRWDZBQOSA-N 435.524 4.352 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3ccccc3C(F)(F)F)ccc21 728604573 TYHIKTMQQHAYCT-NRFANRHFSA-N 434.458 4.387 10 20 IICD CCN1CCN(c2ccc(CNC(=S)Nc3ccc(OC)c(Cl)c3)cc2F)CC1 730157679 WDAGOVFAOONLQE-UHFFFAOYSA-N 436.984 4.116 10 20 IICD CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731015071 FTLKABBQOVJKKK-UHFFFAOYSA-N 429.586 4.005 10 20 IICD Cc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c3c2CCC3)c(F)c1 735517427 AZIFZQAOZOTVKR-LJQANCHMSA-N 449.526 4.336 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3N(C)C)cc2F)C[C@H](C)O1 737009559 TUTHLASZKUJKPV-GJZGRUSLSA-N 434.943 4.480 10 20 IICD Oc1ccc2cc(Br)ccc2c1CN1CCN(CC(F)(F)C(F)F)CC1 738232845 FFQDJRDHUIIPPX-UHFFFAOYSA-N 435.259 4.326 10 20 IICD CC[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)c1ccccc1 738569173 SNVWKUSUKPKYNZ-LJQANCHMSA-N 443.411 4.189 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](C)C[C@@H]2c2ccccc2F)c1 743374685 QYPPKWVCVTYAMB-MZNJEOGPSA-N 426.532 4.149 10 20 IICD Cc1ccccc1O[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 743555272 UQAIWPCTEPVBLA-QRVBRYPASA-N 429.536 4.014 10 20 IICD COc1ccc(-c2nc(CC(=O)NCc3c(O)ccc4c3CCCC4)cs2)cc1OC 743719775 RXFSJSJDZQROSJ-UHFFFAOYSA-N 438.549 4.271 10 20 IICD O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 743887238 GZDNFLYUGIUYCT-UHFFFAOYSA-N 432.398 4.258 10 20 IICD COc1ccccc1C(C)(C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745803326 XLKLQFXNSOXMQC-MRXNPFEDSA-N 433.499 4.500 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Oc4ccccc4)ccc3O)c2)CC1 746891306 FHRQCKDXEYGOOQ-UHFFFAOYSA-N 431.492 4.139 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 750861910 LRUCQESDLSWUFJ-UHFFFAOYSA-N 438.549 4.270 10 20 IICD CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751071076 SPBBZZOOIVLBHD-UKRRQHHQSA-N 440.612 4.049 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccc(Br)s3)CC2)cc1F 753742093 NGFNQZUSQRRTDJ-LBPRGKRZSA-N 427.339 4.111 10 20 IICD COC(=O)CCN(Cc1ccncc1)Cc1c(O)ccc2cc(Br)ccc12 754022186 YCMVUSDDOREBEZ-UHFFFAOYSA-N 429.314 4.268 10 20 IICD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 758382196 DTSFUXFOVBEWBD-UHFFFAOYSA-N 434.455 4.044 10 20 IICD COCCn1cc2c(n1)[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1O)CCC2 760887973 PFPFHSXZOCXWHF-MEDUHNTESA-N 428.758 4.379 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(F)ccc3Br)SC2=S)cn1 761181877 SMLNLKDMMWXJNS-NTUHNPAUSA-N 425.304 4.398 10 20 IICD O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1OCc1ccccc1 765002062 NYHYXALSBBUEPX-UHFFFAOYSA-N 438.459 4.157 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 765379321 SKMAOULKQIRMOI-KSEOMHKRSA-N 447.595 4.320 10 20 IICD COc1ccc(-n2ccc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)n2)cc1 765755047 CABVYWHQCKBKDJ-KRWDZBQOSA-N 426.948 4.222 10 20 IICD O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1N1CCCCC1 768226753 PHAOUZJQWOQNOH-FQEVSTJZSA-N 438.576 4.283 10 20 IICD CCc1cccc2c1N(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CC2 769740586 CSMBIAXLHUJXKJ-UHFFFAOYSA-N 428.535 4.020 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)c2)CC1 771635775 GRGPKAJHYUFQDU-UHFFFAOYSA-N 433.556 4.251 10 20 IICD Cc1c(COC(C)(C)C)cccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 772910901 NQSUZXFSOPHGBA-UHFFFAOYSA-N 443.563 4.014 10 20 IICD COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 773860227 WXSGHAKEFAVOQJ-QGZVFWFLSA-N 448.523 4.073 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1O 775052394 BMUMTKMMSRYZPI-UHFFFAOYSA-N 440.327 4.370 10 20 IICD Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(=O)oc2ccc(Br)cc12 775402274 CFCKKPQBJDFYPX-ZDUSSCGKSA-N 429.314 4.421 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(C)c2O)cc1OCC(=O)NC1CC1 779041656 ZHQVPPVEVZRSHH-ZDUSSCGKSA-N 449.345 4.302 10 20 IICD Cn1cc(-c2ccc(F)c(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2)cn1 782249051 HWRSYSIBRXGNGD-UHFFFAOYSA-N 433.531 4.011 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 784031089 WOHICYPJZRHVCE-UHFFFAOYSA-N 434.521 4.146 10 20 IICD CCOc1cc2c(cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1)O[C@@H](C)C2 784107484 GGHDVHLQEMLLNK-INIZCTEOSA-N 437.540 4.153 10 20 IICD C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NOCCO)c2C1 787294206 SNUNXPILTAMSFU-KAKMCVKYSA-N 431.536 4.077 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 787872446 BNEOJLMWEONYOU-QHCPKHFHSA-N 437.584 4.302 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3Cl)SC2=S)cn1 790592721 VQRJPOCOWBOTSK-CXUHLZMHSA-N 442.953 4.394 10 20 IICD COCCCC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 792288696 XNNHLHWGRGGNOW-DEOSSOPVSA-N 425.573 4.223 10 20 IICD O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 795850410 IVYAHROTNPKGGB-OAHLLOKOSA-N 449.878 4.434 10 20 IICD C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 797822658 WAMCYWGEXPRBMX-LBPRGKRZSA-N 433.332 4.009 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(O)c(Br)c3)cc2Cl)C1 800572152 SKJNQLYAHPLOMX-GFCCVEGCSA-N 438.753 4.369 10 20 IICD CN(CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 800709055 FNHPBZOQMBQEBR-UHFFFAOYSA-N 429.564 4.188 10 20 IICD CC(=O)NC1CCC(N(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 800721245 YUUORZHFCSMTAA-PBPGXSGUSA-N 435.012 4.165 10 20 IICD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 806749895 HVZRGVBZZNJTRV-QHCPKHFHSA-N 442.579 4.269 10 20 IICD O=C(Nc1nc(-c2ccco2)cs1)C(=O)N(Cc1ccccc1O)C1CCCCC1 806993200 SXGRSHLZJBSZRV-UHFFFAOYSA-N 425.510 4.409 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 807267359 YXMTUXPQCLLSFI-HXUWFJFHSA-N 428.435 4.060 10 20 IICD C[C@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(N(C)C)cc1 811906025 PEENRIGHIJZSLB-AWEZNQCLSA-N 447.461 4.468 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 813409006 GBHBQCAUZQTBAY-UHFFFAOYSA-N 444.572 4.219 10 20 IICD Cc1cccc2c1N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CCC2 824153583 PKFNRJXDFCGMJF-UHFFFAOYSA-N 426.428 4.272 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 857507951 KHFBHXOHFKSNGM-MRXNPFEDSA-N 429.294 4.473 10 20 IICD COc1nn(C)c2nc(C)c(CCC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c(C)c12 915147654 LSMBKJOMJNUXDG-UHFFFAOYSA-N 437.588 4.030 10 20 IICD COc1ccc2ccc(O)c(CN3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2c1 918180211 GCRLXCTUSMLKAP-UHFFFAOYSA-N 425.916 4.453 10 20 IICD CC(C)OCc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918209794 IIMUCELDTKAZOI-KDURUIRLSA-N 443.563 4.364 10 20 IICD C[C@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccc(N2CCOCC2)cc1 920866361 CBHYCSFIRRZJPC-AWEZNQCLSA-N 438.391 4.250 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4nc(C)oc4c3)n2)c(F)c1 1324446006 AQIHBJMELCNHBQ-UHFFFAOYSA-N 446.485 4.158 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)cn2)C3)cc1 1800513879 YSTMUPKOBCSKNP-UADZTWIMSA-N 446.526 4.194 10 20 IICD Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800514261 HBZUTZMJUUMENL-UADZTWIMSA-N 430.552 4.296 10 20 IICD Cc1nc(F)ccc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844576843 WEJLOEAXPONQOV-UHFFFAOYSA-N 446.526 4.067 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nc2cc3ccccc3cc2c1=O 27792407 SKWFNYKBUNIQHP-UHFFFAOYSA-N 446.576 4.044 10 20 IICD OCC1CCN(c2ccc(CNc3nn4cc(-c5ccc(F)cc5)nc4s3)cc2)CC1 301067005 FWZBYPIJGSORTR-UHFFFAOYSA-N 437.544 4.418 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3c(F)cc(OC)cc3F)sc2C)cc1 727241750 DJMWWXQXCFQLPQ-UHFFFAOYSA-N 426.466 4.215 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCCc3ccc(OC)c(OC)c3OC)c2C)cc1 727735209 YWVREBCKNLBPAO-UHFFFAOYSA-N 438.524 4.101 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)cc1 730541907 UAUOYTNPEXZLKX-UHFFFAOYSA-N 446.429 4.163 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1csc(-c2ccoc2)n1 730965429 WGSRGVNBFCNIGF-UHFFFAOYSA-N 437.443 4.189 10 20 IICD Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)c(C)n1-c1ccc(Br)cc1 732679315 XOURTUNRFQPCJK-UHFFFAOYSA-N 448.405 4.039 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 734424360 CCZDBRMMPDWOTP-IFMALSPDSA-N 447.501 4.340 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)nc1-c1ccc(F)cc1 741137479 SCYPELXYTFXLCX-UHFFFAOYSA-N 433.486 4.015 10 20 IICD CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccc(N2CCOCC2)cc1 741729766 FGTBSVBWFFIQDJ-UHFFFAOYSA-N 441.881 4.266 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cn2)cc1 743955084 HKBMDTQHJCMJBS-UHFFFAOYSA-N 431.492 4.022 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(c2ccccc2)CCOCC1 745593443 RDYIYTNNWUSCLY-UHFFFAOYSA-N 447.373 4.435 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC[C@H](CSc4ccccc4)C3)CC2)cc1 745801084 VRFSDMFRBKZXDZ-IBGZPJMESA-N 425.598 4.488 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)SC2=S)cc1 751292352 VKNZAMUMCSTMOG-MOSHPQCFSA-N 429.563 4.465 10 20 IICD O=C(Nc1c(F)cccc1Br)C(=O)N(Cc1ccco1)Cc1ccccc1O 752722826 SQOKYYVRAPKLAQ-UHFFFAOYSA-N 447.260 4.054 10 20 IICD O=C1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1c1c(F)cccc1F 756208778 SMTOUIWKZOFYGD-FQEVSTJZSA-N 443.494 4.320 10 20 IICD C[C@@H](NC1CCN(CC2CC2)CC1)c1cc(Br)cc(Br)c1O 756431691 DHHOQNISNAHLHG-LLVKDONJSA-N 432.200 4.442 10 20 IICD COc1cccc(CN(C(=O)NCCCSc2nccs2)C2CCC(O)CC2)c1 759590195 HYFICGNESKQQKD-UHFFFAOYSA-N 435.615 4.149 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)C1 761386515 YIEXQRURMYYZQC-ZDUSSCGKSA-N 440.758 4.279 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3c(Cl)cc(F)cc3Cl)cc2F)CC1 761738780 SMXBGEOOGZJQHQ-UHFFFAOYSA-N 428.310 4.344 10 20 IICD CC1(C)[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[C@H]1OCc1ccccc1 762158310 OOTJUJLKEMPOAR-VQTJNVASSA-N 428.916 4.194 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1 763056398 CINRKXIDNZSWDP-HKBOAZHASA-N 431.627 4.437 10 20 IICD C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1Cl 765250324 KVOFMRWIKJOUCG-SFHVURJKSA-N 427.976 4.150 10 20 IICD Fc1cc(CN[C@H]2CCc3cc(Cl)ccc32)ccc1N1CCN(c2ncccn2)CC1 765275956 JCSBCPOAWIFPNL-QFIPXVFZSA-N 437.950 4.373 10 20 IICD COc1ccc(NC(=O)NCCCSc2nccs2)c(I)c1 765412539 CLRGQFYXEFXTBL-UHFFFAOYSA-N 449.339 4.060 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O 766600217 GFLBFXFUKXLRFX-NRFANRHFSA-N 433.512 4.090 10 20 IICD C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccc(F)c1F 767155138 LKOJQJBHUHVDAD-LLVKDONJSA-N 438.477 4.024 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccn(-c4ccccc4Cl)n3)CC2)cc1F 769011491 GULJIIYMORNLNF-UHFFFAOYSA-N 429.883 4.028 10 20 IICD CC(C)c1nc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1 769405173 CKFLDAWGEJACQG-QGZVFWFLSA-N 440.592 4.373 10 20 IICD Cc1ccncc1[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 771387050 KJXZVJMEJOZBOE-MPMPPSQCSA-N 431.608 4.310 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cn(C)nc3-c3ccccc3)cc2F)C[C@H](C)O1 779628017 PLCWHRQALLGMQW-IRXDYDNUSA-N 437.519 4.162 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(-c3cnco3)c2)cc1 782423660 DQIJHKKWYXXXBD-UHFFFAOYSA-N 444.491 4.168 10 20 IICD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 783211982 ZJUPFWKSQMHZDY-UHFFFAOYSA-N 431.452 4.047 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-c2nccn2C)c1)c1ccc(N)cc1 783486565 OGUAOHZVQWSKCE-SFHVURJKSA-N 439.519 4.402 10 20 IICD Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 788909205 DJOGCWSQHZMQDO-UHFFFAOYSA-N 431.536 4.033 10 20 IICD CN(CCc1nc(-c2ccccc2)no1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O 795702182 OHSVBGSLAWFHAN-UHFFFAOYSA-N 429.476 4.053 10 20 IICD COCN1C(=O)CCc2cc(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc21 801788428 JKGWGKKWRSGDDA-UHFFFAOYSA-N 436.556 4.128 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)cc1 802551171 OZFZJFBSFDQMPX-UHFFFAOYSA-N 438.753 4.204 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 806464918 OIYXEHUWAJGQAZ-NRFANRHFSA-N 441.576 4.247 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 806846628 VGDHAZOZIIASFC-UHFFFAOYSA-N 426.517 4.002 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1 806852490 ADLPBNHIMDYCHN-HNNXBMFYSA-N 437.462 4.117 10 20 IICD C[C@H](NC(=O)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccc(N(C)C)cc1 807678579 JGNMNGVPCUZPBV-HNNXBMFYSA-N 448.548 4.116 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2F)CC1 813860067 DNLXFBJOHOLLLF-YKSBVNFPSA-N 429.555 4.364 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)c1 834709961 PHTGEHNOLNLBFO-NPBUNYCVSA-N 441.530 4.348 10 20 IICD O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)Nc1ccc(N=Nc2ccccc2)cc1 914672279 WMHDZDAGSSQCFP-SJORKVTESA-N 448.401 4.041 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)c1 917491087 QNSZVQRJSYOZKM-ACRUOGEOSA-N 426.601 4.218 10 20 IICD CCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918141641 XESVXOCUWXNZCD-QZTJIDSGSA-N 442.531 4.117 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1 918741029 BICNGBATVASFNM-CYBMUJFWSA-N 435.596 4.486 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1 919882332 MRYWODPHXPNSRB-UHFFFAOYSA-N 449.313 4.085 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1C(F)(F)F 919919818 CCBLOASXPFLNIQ-CQSZACIVSA-N 425.426 4.242 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccnn3C[C@H]3CCOC3)cc2Cl)C1 1339935736 BDOVOGDPOGVRTE-SJLPKXTDSA-N 431.968 4.131 10 20 IICD Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10350281 IZERBWPWWOCGBY-UHFFFAOYSA-N 434.565 4.057 10 20 IICD COc1ccc(N2CCC(Nc3ncc(Cn4cc(Br)cn4)s3)CC2)cc1 302480420 WHTNMVIPNKAIAT-UHFFFAOYSA-N 448.390 4.240 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)n2)c[nH]1 727246289 KQLKPZGQDQYQOV-UHFFFAOYSA-N 445.444 4.053 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc3ccccc3c2)nc1-c1ccccc1 727249582 BYSXCMMYHRAWNJ-UHFFFAOYSA-N 438.530 4.480 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1-c1ccccc1 727249693 GKBCBLHKQDJKIK-UHFFFAOYSA-N 442.562 4.205 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc2c(c1)CC(=O)N2C 728402069 XOZIQLKJLLNZGP-GOSISDBHSA-N 446.551 4.338 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 731761317 FIXRZVABZPOJHS-UHFFFAOYSA-N 438.484 4.045 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(OC(F)F)c1 734147204 MMMXMXQDPQDPQO-NTEUORMPSA-N 431.482 4.143 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)C2CC2)cc1 734216160 NOCQIIKDFHVTGQ-UHFFFAOYSA-N 439.947 4.373 10 20 IICD COc1ccc(OC(F)F)c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 735330108 ORMXAZVZXWFPMW-APSNUPSMSA-N 437.445 4.431 10 20 IICD Cc1nc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C 737036668 FYUZFCUOHXHMDO-KBPBESRZSA-N 434.581 4.247 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 743716775 XOZRTWYGMVCJGL-UHFFFAOYSA-N 435.545 4.175 10 20 IICD Cc1csc([C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)n1 745864730 WIANVYXXQDEZJB-MAUKXSAKSA-N 436.528 4.472 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1c(O)ccc2c1CCCC2 747593396 ATMLOHNMLBSXRK-UHFFFAOYSA-N 445.947 4.069 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 749590960 UDIOWHKMGVZUPV-HYBUGGRVSA-N 439.600 4.137 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 751085358 VCSYPKLMEQSABF-UXHICEINSA-N 431.627 4.099 10 20 IICD COc1cc(N2CCN(C(=O)C[C@H](C)Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC 759243454 XZMQHWIMAUIZQS-QGZVFWFLSA-N 446.975 4.283 10 20 IICD Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c(C)n1-c1ccc(F)cc1 760582481 PTLHVHOJHHFAHA-UHFFFAOYSA-N 434.920 4.220 10 20 IICD C[C@H](N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 765595533 MGAARMMPEVBSFZ-CMKODMSKSA-N 435.584 4.349 10 20 IICD C[C@@H](Cc1cccc(O)c1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769431347 NZYINIKHNPIGHC-RAOBZKRQSA-N 446.619 4.183 10 20 IICD O=C(NCCCc1cccs1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 769714721 WUMOXQJRAHSKEX-UHFFFAOYSA-N 427.492 4.036 10 20 IICD CC(C)Nc1ccc(F)cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769932419 SPPAURNWVCCVBR-UHFFFAOYSA-N 449.529 4.466 10 20 IICD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 770755738 HOTAGAIWOULBCL-IPPNXFFKSA-N 447.526 4.154 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc1 788974793 HLNXYRZLKJMJOO-QGZVFWFLSA-N 437.540 4.090 10 20 IICD COc1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(O)c1 792996282 QVPYQVPTRIZOEF-UHFFFAOYSA-N 438.355 4.171 10 20 IICD COc1ccc(CNc2nc(NCc3ccc(OC)cc3O)c3ccccc3n2)c(O)c1 795284945 NXSJTIZYNGYUCR-UHFFFAOYSA-N 432.480 4.282 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Cc1cc2c(cc1Br)OCCO2 801549356 LAPVRQQEMVDCPF-UHFFFAOYSA-N 434.330 4.297 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3cccc(N4CCCC4)c3)cc2)CC1 805025410 ORZAMYVTJAAWQD-OAQYLSRUSA-N 448.611 4.017 10 20 IICD CN(C[C@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1)S(C)(=O)=O 806102055 ZMGWMLKAYHKFAT-QGZVFWFLSA-N 429.546 4.237 10 20 IICD CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(Cl)cc(Cl)c1O 806134597 ZYCFLGIPGMDHJM-RDTXWAMCSA-N 439.339 4.064 10 20 IICD COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1 806169683 JADRJWTYEONTLU-CYFREDJKSA-N 437.584 4.146 10 20 IICD O=C1CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)(c2cccc(Cl)c2)C1 810319090 XFMAKNGCBBLIMY-UHFFFAOYSA-N 448.897 4.327 10 20 IICD C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 812800490 YBSSVZDIGKAKMF-GOSISDBHSA-N 437.544 4.356 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCCOCCc3ccccc3)cc2F)C[C@@H](C)O1 917707811 BMTBGHTUFJIQJZ-BGYRXZFFSA-N 428.548 4.095 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 919653130 WWHBLRIPWXDPLX-UHFFFAOYSA-N 426.904 4.332 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccnc(-n3cncn3)c2)sc(C)c1-c1ccc(C)cc1 919989441 WVTHVYQZFCPVEG-UHFFFAOYSA-N 447.520 4.437 10 20 IICD Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(N2CCOCC2)cc1 72019610 HKGFZECJKTYXJM-UHFFFAOYSA-N 429.879 4.209 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)ccc21 484668858 LZQDADJDCWRCMF-GOSISDBHSA-N 439.600 4.015 10 20 IICD COc1ccccc1N1CC[C@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 726254749 XWARHXXUSIRFJI-LJQANCHMSA-N 435.524 4.232 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)COCc1cccs1 726856417 KYWLSUZVDDXGAQ-MRXNPFEDSA-N 432.567 4.073 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cn1 727247366 YTYHGMBYGCFNFV-UHFFFAOYSA-N 438.534 4.058 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)nc1-c1ccccc1 727248965 NVXWSBOJRJURIS-UHFFFAOYSA-N 429.523 4.065 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)s1 727251419 XFJOIRNQLSYLMP-UHFFFAOYSA-N 432.907 4.252 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NS(=O)(=O)C[C@@H]1CCOC1 731671306 AHJRSINJYRGXHH-DNVCBOLYSA-N 442.503 4.138 10 20 IICD C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 738742902 NAQNEFGVLMJBAF-INIZCTEOSA-N 436.474 4.467 10 20 IICD Cc1ccccc1CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755927 ZNFUDYIAQARBKT-JOCHJYFZSA-N 425.573 4.376 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)n2)c(F)c1 743046064 NCFDINWBJXJJSX-UHFFFAOYSA-N 437.493 4.464 10 20 IICD CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1 743114588 PNKFAJTYUBPEJU-QGZVFWFLSA-N 446.498 4.137 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3c(F)cc(Br)cc3F)CC2)cc1 743215227 UQHGUBLHXCKGRI-UHFFFAOYSA-N 440.288 4.480 10 20 IICD O=C(NC[C@H]1CCN(c2ccccc2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743550573 CJRSFVACBRKZBS-RTBURBONSA-N 444.526 4.083 10 20 IICD COc1cc(Br)c(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1OC 743581912 CCXKQTHOARDSIK-UHFFFAOYSA-N 449.345 4.050 10 20 IICD COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903335 GYTVLLXQDJNCBI-LJQANCHMSA-N 433.499 4.115 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2cccc(F)c2)CCCCC1 746010954 PDWMZBPSZAPSLB-UHFFFAOYSA-N 428.523 4.444 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 747404613 VBJUEDCESBBGPB-UZUQRXQVSA-N 429.536 4.016 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)n2)cc1 747843526 AFROFHZSVAOZBY-UHFFFAOYSA-N 446.510 4.094 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 747934306 KMHNJYIEPPSPSE-CLHVYKLBSA-N 436.571 4.452 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 750629971 RVUWIRHWUQUORA-UHFFFAOYSA-N 448.567 4.409 10 20 IICD Cc1cc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c(C)n1-c1ccccn1 751414820 HXJQMAXFJRUJFB-FQEVSTJZSA-N 428.536 4.246 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)c2C)cc1 752498184 PHMGLPRGTAOGEE-OAQYLSRUSA-N 425.916 4.103 10 20 IICD C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680513 HLAPNYCQPHNSCW-VKJFTORMSA-N 439.528 4.130 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 756077822 VMALGVUHJHASAV-UHFFFAOYSA-N 436.581 4.177 10 20 IICD C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)c(F)cc1O 756474929 KZPZQGVIWUEQEC-BFUOFWGJSA-N 441.316 4.157 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2c(F)cc(Br)cc2C1 759332689 PYGYNYWNLOXEJT-UHFFFAOYSA-N 430.321 4.232 10 20 IICD CCc1ccc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 760746770 XCDGDIHWVZVLDF-MSOLQXFVSA-N 449.555 4.257 10 20 IICD CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 762567632 AIDCOTLVVBLOAC-GJZGRUSLSA-N 440.612 4.001 10 20 IICD C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 763562303 ONPIKWYAPMSYML-GOSISDBHSA-N 431.577 4.207 10 20 IICD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 766243109 ZHCYXUXBUXMPOX-HOTGVXAUSA-N 430.480 4.286 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 767044574 AJEAEWLSLKDDJQ-UHFFFAOYSA-N 433.552 4.183 10 20 IICD Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc(Br)cc1 767764347 BHAMXMQDVZOYGS-LJQANCHMSA-N 442.361 4.005 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccccc1Sc1ccc(Br)cn1 768900290 DPAUTZKHAYFZBJ-UHFFFAOYSA-N 445.338 4.379 10 20 IICD C[C@@H](NC(=O)CCCCCn1c(S)nc2ccccc2c1=O)c1ccc(N(C)C)cc1 775406321 WYBBEGKIXQMALT-QGZVFWFLSA-N 438.597 4.189 10 20 IICD Cc1ccc(NC(=O)c2cccc(O)c2O)cc1S(=O)(=O)Nc1ccccc1Cl 776595757 ISPAWWYONKLXRU-UHFFFAOYSA-N 432.885 4.113 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Br)c1Cl 780384867 KMEOEFPHRGWXIZ-UHFFFAOYSA-N 437.765 4.241 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1Cl 784106814 OBIDBBMABAVQRD-UHFFFAOYSA-N 445.947 4.109 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ncc(C(C)(C)C)s2)cc1 789388636 OFXGRKOGKQMUPI-UHFFFAOYSA-N 440.569 4.267 10 20 IICD COc1cccc([C@H](C)CCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 789968578 STOMKNFANQQYCH-GOSISDBHSA-N 428.548 4.386 10 20 IICD O=[N+]([O-])c1cc(CNCCCCn2cc(Br)cn2)ccc1N1CCCCC1 793206888 LRXBUTUIFWCHAK-UHFFFAOYSA-N 436.354 4.114 10 20 IICD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)c1 794107872 PLKWKAIETIMMRD-BENRWUELSA-N 446.459 4.179 10 20 IICD COc1ccc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)c1 794379070 YIVZGPUPTOASET-UHFFFAOYSA-N 443.853 4.001 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 797625805 GXSOZRNBGYWVLL-INIZCTEOSA-N 446.569 4.098 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CSc3nnc4ccccn34)cc2Cl)C1 800571223 HCXDPGHYCNJXDQ-HNNXBMFYSA-N 429.977 4.028 10 20 IICD CC(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802662426 PDZBZUQQWVWEBK-UHFFFAOYSA-N 447.587 4.208 10 20 IICD COc1ccc(N2CCN(c3nnc(Cc4ccsc4)n3CC(C)C)CC2)cc1F 802673844 UFSQNOPPGIJMPV-UHFFFAOYSA-N 429.565 4.061 10 20 IICD CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 803477360 ZGOYFCKTDDZLMB-GDLZYMKVSA-N 449.878 4.261 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 804171734 JMJIVCURNFPFLN-KRWDZBQOSA-N 436.581 4.122 10 20 IICD Cc1cc([C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C2CC2)ccc1F 808841379 NSHRSRAXTBEEDH-DEOSSOPVSA-N 437.559 4.350 10 20 IICD COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc(OC)c1C 815430475 MGBGJINWMDJQPY-UHFFFAOYSA-N 439.556 4.036 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 816820346 JRTFSGZQDABNGF-DFWCCGOPSA-N 443.547 4.199 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCC1(c2ccccc2)CC1 857302232 JYCJZRBCSBPEJD-UHFFFAOYSA-N 449.576 4.281 10 20 IICD CC(=O)c1cc(CN(C)Cc2ccc(Cl)c(Cl)c2)c(O)c(CN2CCOCC2)c1 915826172 RENBUJOHGWVIEX-UHFFFAOYSA-N 437.367 4.366 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1C 916110328 DFQNHEGKRKMYND-UHFFFAOYSA-N 434.455 4.044 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1ccc(=O)n(C)c1 916438562 QBGKTQODWSNMOZ-IBGZPJMESA-N 429.442 4.311 10 20 IICD O=C(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Nc1ccc(N=Nc2ccccc2)cc1 916736842 JUIBAGATCVPDDY-UHFFFAOYSA-N 445.479 4.462 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cc3nc(O)c4cc(C)ccc4n3)c2C)cc1 917267987 NYWPGXCZTISNHL-UHFFFAOYSA-N 429.476 4.263 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)cc2F)C[C@H](C)O1 918210712 XOEWSKVRUYWZNS-OALUTQOASA-N 440.563 4.039 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(Cl)s3)cc2F)C[C@@H](C)O1 918216151 PPWBDKHJMAYDKG-ZIAGYGMSSA-N 425.957 4.196 10 20 IICD CCOc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 919815726 PAPKJOSLMKFDPU-UHFFFAOYSA-N 436.474 4.190 10 20 IICD CCc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)no1 1798905321 HNBIJVWNQLPYMB-QQFNCUIESA-N 446.551 4.210 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1 303421750 YQBUEOGSXOCABS-UHFFFAOYSA-N 445.611 4.212 10 20 IICD O=C(Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C1=S=CC=C1 463642096 DYMPPELFERGQSL-UHFFFAOYSA-N 435.383 4.082 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(-c2ccc(F)cc2Cl)nn1 535148154 UPEMMRIQHNASAN-KPKJPENVSA-N 427.892 4.392 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 726290722 LEIUJTHEQQSUNW-UHFFFAOYSA-N 442.991 4.431 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)CC2)cc1 726699466 OUDYVOYAMVMMKR-KDURUIRLSA-N 438.572 4.099 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccccc3Br)cc2F)C[C@@H](C)O1 729176373 PCNPYTSVUCJSMW-HUUCEWRRSA-N 435.337 4.061 10 20 IICD CC(C)n1cc([C@@H](C)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 732748526 MOQBYYDSZKBNCS-NGWPFTMJSA-N 448.639 4.384 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCCO[C@@H]3CCCc4ccccc43)CC2)cc1 733849969 PDEMPGCTFLSPHC-RUZDIDTESA-N 437.584 4.401 10 20 IICD Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c(C)n1-c1ccc(F)cc1 734820117 IZHKVPHYKJCNOS-UHFFFAOYSA-N 426.923 4.240 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1O 737285616 KJJHBHYPWSZTDI-UHFFFAOYSA-N 426.856 4.101 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1O 738149769 VXEMGFJOQJQBOL-UHFFFAOYSA-N 448.494 4.319 10 20 IICD Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 738982035 AZIQRCMPEIQKEV-ZWSUVBHBSA-N 448.611 4.380 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(C(=O)NCc2ccccc2F)cc1 741060207 HVENQOAFYRTJFQ-UHFFFAOYSA-N 444.510 4.454 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1 741710316 ATOTXWLLGAAJNT-UHFFFAOYSA-N 436.600 4.229 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N3CCCN(Cc4noc(C(C)(C)C)n4)CC3)c2C)c1 742180814 IBWMADGKVYXMIS-UHFFFAOYSA-N 449.599 4.431 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cnn(-c2ccccn2)c1C(F)(F)F 742475628 RYZVCHAXUSKGKC-UHFFFAOYSA-N 429.446 4.206 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)n2)cc1 743045215 CTZMOIOVLIJVFF-UHFFFAOYSA-N 443.550 4.408 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1C 744598606 JLXXVJYDOUOBOQ-UHFFFAOYSA-N 439.563 4.435 10 20 IICD O=C(NCC1(N2CCOCC2)CCCCC1)N(Cc1ccccc1O)C1CCCCC1 745290350 XLKBQQXMXMYEQX-UHFFFAOYSA-N 429.605 4.272 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 751137339 QCECYCRABCUDRC-UHFFFAOYSA-N 437.945 4.356 10 20 IICD OC1CCN(c2ccc(CNCc3ccc(Br)c(Cl)c3)cc2F)CC1 755193963 IGURRCAVUBSKTJ-UHFFFAOYSA-N 427.745 4.493 10 20 IICD CC[C@H]1CN(C(=O)NCc2ccc(N(CC)CC)cc2)CC[C@H]1NC(=O)OC(C)(C)C 757010698 MDJXPKJHEKSEAO-PZJWPPBQSA-N 432.609 4.368 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2cc(Cl)cc(OC)c2O)cc1OC 758818287 DXIGHAHEWNYXOC-FQEVSTJZSA-N 432.904 4.019 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)cc(OC)c1OC 759236553 GHJYGFYYSQZKBI-UHFFFAOYSA-N 442.531 4.012 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 759509043 CBFZOVSUDMODQK-UHFFFAOYSA-N 449.504 4.451 10 20 IICD C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCc1ccc(O)c(O)c1 762261156 IJJKJRRCNHVQGO-ZDUSSCGKSA-N 432.929 4.387 10 20 IICD C[C@@H]1CN(Cc2ccccn2)CC[C@H]1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238050 OHDMYQBYOVDTNF-KKLQWCBXSA-N 430.543 4.152 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2F)C[C@@H](C)O1 769032380 GQAGFQWIZREEBX-NSHGMRRFSA-N 433.568 4.120 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(OCc4csc(C)n4)c3)c2)CC1 770146968 JSZDBMKOFAWBSO-UHFFFAOYSA-N 436.581 4.425 10 20 IICD C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775376791 RWORYWJYVUTBQM-UQBPGWFLSA-N 431.559 4.356 10 20 IICD CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)ccc1O 775491174 ZGDPFUIGPCLCAC-IBGZPJMESA-N 437.353 4.496 10 20 IICD COc1ncc(/C=C/C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cn1 775859011 ODJZVNXNHKAFAW-XCVCLJGOSA-N 430.386 4.368 10 20 IICD Cc1cc(C(=O)CN2CCC(O)(C(F)F)CC2)c(C)n1-c1cccc(Br)c1 778309603 UZFKEGRTIKCYJE-UHFFFAOYSA-N 441.316 4.131 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1F 778660386 KOJADYBNPGECTD-UHFFFAOYSA-N 441.473 4.434 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C 783315517 FXRUEWWUUOTBSM-UHFFFAOYSA-N 438.572 4.175 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 789305023 HWMZTVSXEWVLBT-OAQYLSRUSA-N 434.367 4.067 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 796504608 OJEBCRHKJKCUAL-OAQYLSRUSA-N 443.632 4.045 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 799833302 NZQWNIVNRQCQBB-UHFFFAOYSA-N 435.499 4.034 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 801014692 SIVOAEHYIJHPKX-HXUWFJFHSA-N 435.572 4.352 10 20 IICD C[C@H](NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1)c1ccc(N(C)C)cc1 807140788 OAQZBNPEQXMCTQ-OXJNMPFZSA-N 427.549 4.027 10 20 IICD COc1ccc(-c2ocnc2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 808459303 IZGVWYWVOLMDCX-MRXNPFEDSA-N 443.450 4.350 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccs1 812360556 DPLWPHGPXWWTKG-UHFFFAOYSA-N 444.358 4.488 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCc4sc(Br)cc43)cc2F)CC1 815565007 ZWQXSSYQPLHKII-MRXNPFEDSA-N 425.367 4.388 10 20 IICD CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)co1 820002707 WXOLEZXPKMKURY-UHFFFAOYSA-N 433.468 4.266 10 20 IICD CN(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C1CCCC1 914447784 XSEIUHRXDWKVAI-XNTDXEJSSA-N 439.400 4.051 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccccc1)Cc1ccco1 918219030 BYPBFTQOUKEFTA-UHFFFAOYSA-N 437.515 4.292 10 20 IICD O=C(Cc1cccc(F)c1)NCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 919405812 LSUCDFRIESIYRA-UHFFFAOYSA-N 448.454 4.082 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1cccc(CS(=O)(=O)c2ccccc2)c1 1322263441 FZRRNRFOGUZPER-UHFFFAOYSA-N 427.869 4.102 10 20 IICD COc1ccc(CN(CCc2ccccn2)Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 1339618408 DVFYXVZQIBODTD-UHFFFAOYSA-N 448.586 4.226 10 20 IICD CC(=O)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC1 1790690778 WBTLDNRJZWTGOV-UHFFFAOYSA-N 429.520 4.431 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1)c1cc(O)c(O)c(Cl)c1 1797487738 GGIYIFLUAHRZRV-MUJYYYPQSA-N 440.883 4.063 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)c2C)cc1 18523848 ZYNXUOFRMQSZJH-OAHLLOKOSA-N 427.888 4.335 10 20 IICD CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 21935471 OSCCRCPMCWGXCF-UHFFFAOYSA-N 443.956 4.137 10 20 IICD CC(=O)Nc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)cs1 117084074 CIJMRRDRRFCBPO-UHFFFAOYSA-N 437.521 4.037 10 20 IICD COc1cc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1OCC(F)(F)F 437009629 KAGNJNQWHRMHLO-UHFFFAOYSA-N 438.446 4.061 10 20 IICD CCOc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OCC 726565902 HOSIQGAGTSKHBO-UHFFFAOYSA-N 434.483 4.484 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c(F)c1 727249327 VKYSAMJXPILUDY-UHFFFAOYSA-N 448.419 4.499 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnc(-c2ccco2)s1 728817501 ZENLUVCELJJMJI-UHFFFAOYSA-N 437.443 4.189 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 728950116 DJVRCFXOHYHLQB-MOPGFXCFSA-N 443.613 4.383 10 20 IICD C[C@H](NC(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1 731222676 QWBHTGNCEPUDSR-IBGZPJMESA-N 425.573 4.260 10 20 IICD CCc1ccc([C@@H]2COCCN2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 737050498 WEUBHSRILRXGSQ-FQEVSTJZSA-N 449.498 4.195 10 20 IICD COc1ccc(N(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC(C)C)cc1 744394350 IPLPJBWMUDAWFH-UHFFFAOYSA-N 449.551 4.344 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Br)ccc2-n2cccn2)c1 746723671 HEUGBDWMKYSIAS-LBPRGKRZSA-N 431.290 4.232 10 20 IICD Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 747147934 IJIYIVFEMOZYBL-STZFKDTASA-N 448.523 4.289 10 20 IICD O=S(=O)(Nc1nc(-c2cccc3ccccc23)cs1)c1cnn(C2CCOCC2)c1 749738293 SZOZCGRIKVUNIP-UHFFFAOYSA-N 440.550 4.312 10 20 IICD COCCCOc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 751009751 HZUZJCOCZDGFKT-UHFFFAOYSA-N 449.498 4.494 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2cc3c(cc2O)CCCC3)N2CCOCC2)cc1OC 756360945 FDUNIDQQRCNUFO-WZONZLPQSA-N 440.584 4.012 10 20 IICD CSc1nnc(CCCN[C@H](C)c2cc(Br)ccc2O)n1CC(C)C 756575385 PYXSODGHLWSDRW-CYBMUJFWSA-N 427.412 4.408 10 20 IICD COCC1(O)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)CC1 758370197 GOEVVOYJBAPEHO-UHFFFAOYSA-N 443.927 4.101 10 20 IICD CCOc1cccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 765279362 DQXITMVECMHPPA-LJQANCHMSA-N 435.547 4.192 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 765818401 GCQKDBOHLYAHAY-KRWDZBQOSA-N 445.401 4.153 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1 768911568 RBXUFRQGMJFJMG-HNNXBMFYSA-N 426.542 4.074 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C3(CCOCc4ccccc4)CC3)cc2F)C[C@@H](C)O1 769866557 XDKKPALDQSCTPO-WOJBJXKFSA-N 440.559 4.443 10 20 IICD CCCOc1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2 771961710 AWOTXAWSQZXYGQ-UHFFFAOYSA-N 425.598 4.297 10 20 IICD Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)n(-c2ccccc2)n1 773000378 PAVYHNGFSZNCIC-LJQANCHMSA-N 449.624 4.164 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)c1O 774929869 PFFYCCMYGVMCJT-GASCZTMLSA-N 427.501 4.348 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCc2cc(Br)ccc2Br)c1O 775079878 JZTQTBYLYWIKQG-UHFFFAOYSA-N 446.095 4.124 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1C 775208629 NXRJJWWWLFNTIY-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1)c1ccccc1 776126750 GNKBBYYYKJOBGM-NTKDMRAZSA-N 436.600 4.298 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccc(F)cc4Cl)C3)CC2)cc1 776133566 XNFRYVINBSJUNX-JOCHJYFZSA-N 447.938 4.240 10 20 IICD O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 779515698 AHCVAAIGKZUTPM-PKNBQFBNSA-N 447.466 4.479 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)NCCCSc3nccs3)cc2C1 780536987 CBZAJMMYCNCTSU-UHFFFAOYSA-N 448.614 4.375 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 790622469 IWTFAMRZFTYJPG-UHFFFAOYSA-N 439.537 4.424 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(COc2ccccc2)c1 793763199 UGUFPQOKHVQTLT-UHFFFAOYSA-N 432.520 4.026 10 20 IICD Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 794977914 NPOSTGHEOCWFMV-UHFFFAOYSA-N 429.879 4.209 10 20 IICD Cc1cc(Br)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O 798083193 QUCFZXVAYPWIGD-GJZGRUSLSA-N 433.346 4.325 10 20 IICD OC[C@]1(NCc2cc(Br)cc(Br)c2O)CCCc2ccccc21 799737218 ZNDHBCLDEMWHRI-GOSISDBHSA-N 441.163 4.231 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCCF)c3)cc2Cl)C1 800636574 LCNUPFWQPWDLEL-MRXNPFEDSA-N 447.938 4.180 10 20 IICD C[C@@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800992977 GPQGPTOAYUWGQF-CTNGQTDRSA-N 442.003 4.061 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 802570898 ADNYTYQJHAILJE-UHFFFAOYSA-N 433.508 4.149 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H](O)c2cccnc2)c(C)n1-c1cc(Cl)cc(Cl)c1 803954572 SSBKPSZMAPWTQQ-HXUWFJFHSA-N 433.291 4.255 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 807268302 BNWVRHHVHVMPFC-GOSISDBHSA-N 431.602 4.227 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(-c2ccccc2)c1 807387092 YRTVIKIZZLOTAZ-UHFFFAOYSA-N 425.282 4.077 10 20 IICD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 807678736 ZDWXGSWAFGAIQG-KRWDZBQOSA-N 425.554 4.122 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CSc2nncn2-c2ccc(C)c(C)c2)cc1 843465716 MUCKEEVLCLPTOI-UHFFFAOYSA-N 437.613 4.481 10 20 IICD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3Cl)cc2F)C[C@@H](C)O1 917917953 KZEGRODWQBNTMA-CHWSQXEVSA-N 447.359 4.225 10 20 IICD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)c1 918051797 HCCCSBYKGKYXOY-OAQYLSRUSA-N 434.584 4.496 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 918067166 AJNCWEVXWAMVKV-SFHVURJKSA-N 436.556 4.027 10 20 IICD O=C(NCCCCc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918201909 VYNWUSBMGLVYBX-UHFFFAOYSA-N 435.490 4.364 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3ccccc3NS(C)(=O)=O)c2C)c1 918572915 BFIVQSPSDYMCQD-QGZVFWFLSA-N 425.554 4.265 10 20 IICD C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920872517 VHSZUBKKWIXTDB-VAMGGRTRSA-N 438.572 4.020 10 20 IICD COc1ccccc1NC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 1344463475 NSNNPWSSMYVHAD-OAHLLOKOSA-N 435.480 4.111 10 20 IICD O=C(c1ccsc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830734648 AOEVKAMRPJRFAH-GOSISDBHSA-N 448.972 4.360 10 20 IICD COc1cc(Br)cc([C@@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c1O 15502628 CTPSXTSYGDLWAV-INIZCTEOSA-N 434.315 4.244 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4ccccc4OC)oc3=S)CC2)cc1 108217705 LNWSCOZYWACLRC-UHFFFAOYSA-N 426.542 4.060 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(C)n1-c1ccccn1 303674730 QCASMTIOSLPZHR-KRWDZBQOSA-N 426.467 4.099 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 542923526 KFQIGLQQRMFNCH-KRWDZBQOSA-N 431.920 4.395 10 20 IICD O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O 726087973 MRXMVRYJXNJIRJ-UHFFFAOYSA-N 442.899 4.364 10 20 IICD CN(C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C(=O)OC(C)(C)C 726098173 UXRCMLLFAXTQAD-FQEVSTJZSA-N 430.593 4.075 10 20 IICD Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1NC(=O)c1ccncc1 726482784 MAQVTLJLLAUAPZ-UHFFFAOYSA-N 433.581 4.455 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1F 727602633 ULIHJMUYXYKHPV-IBGZPJMESA-N 426.319 4.482 10 20 IICD Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 730501474 DCFDRGLKWXALCM-OAHLLOKOSA-N 428.444 4.478 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccoc3COc3ccc(C=O)cc3)CC2)cc1 731626576 AAAYECDYNGPHNE-UHFFFAOYSA-N 434.492 4.079 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 732478998 KUENOSRWAJVGBW-UHFFFAOYSA-N 438.572 4.033 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1F 734172433 VFJDJYKWTNNZDC-UHFFFAOYSA-N 445.926 4.417 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C 734403091 VQINEUXQXZOVNU-UHFFFAOYSA-N 427.346 4.248 10 20 IICD CC(C)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Cc1ccccc1 735263583 JAAPTBABRDVIBJ-UHFFFAOYSA-N 442.471 4.369 10 20 IICD C[C@H](OC(=O)[C@@H](C)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 738782278 UONMCQNDIACUMT-KBPBESRZSA-N 433.485 4.197 10 20 IICD COC(C)(C)C[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 741971747 ONZJLMMFFHEFAB-JMRXEAOASA-N 426.629 4.049 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CNc2cccc(Cl)c2)NC(=O)OC(C)(C)C)cc1 742753842 LVHSYBDBRPZUQL-HXUWFJFHSA-N 446.979 4.200 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cs1 743046988 UOHFTRHJKYDYAI-UHFFFAOYSA-N 446.478 4.060 10 20 IICD C[C@H](c1cccnc1)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 743723169 NFGOEAMNCHRBMM-RFRKOGIWSA-N 431.608 4.344 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)c1 746792919 CFBSTZDTWGVCDJ-KRWDZBQOSA-N 434.492 4.104 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2c(F)ccc(F)c2C1 752957601 JSWCGUBJOVYCII-UHFFFAOYSA-N 437.437 4.303 10 20 IICD C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc2ccccc2s1 754708179 YSDWWMPOJPYYDI-AWEZNQCLSA-N 441.512 4.361 10 20 IICD COc1ccc([C@H](N[C@@H](C)c2cc(OC)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756620596 LHGKKAUYSMGDFH-FYSMJZIKSA-N 441.549 4.253 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)nc1-c1ccccc1 763390213 PSFXYNWUHZLHSM-UHFFFAOYSA-N 445.541 4.294 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 764240133 GCUFEGRHQRWLLW-QGZVFWFLSA-N 444.601 4.026 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 766316827 BTAORDQTXPXPFU-DHIUTWEWSA-N 445.007 4.009 10 20 IICD Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2cc4c(cc2O)OC[C@@H]4O)C3)cc1 768451999 MXMGIUGKCIYXOK-DEOSSOPVSA-N 445.519 4.329 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2c(F)ccc(F)c2F)NC(=O)OC(C)(C)C)cc1 773191070 NDOMOWNPIDGWIX-KRWDZBQOSA-N 437.462 4.166 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1)c1ccc(N(C)C)cc1 773853970 AHYAZWKDJVDEHD-IBGZPJMESA-N 431.536 4.190 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2)cc1 779020008 ORIQFLBDRTXHMG-JYFHCDHNSA-N 429.564 4.276 10 20 IICD Cc1oc(-c2ccccc2)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 780415261 IVXLUGAPZIZPDH-NRFANRHFSA-N 431.536 4.195 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(F)F)c3)n2)s1 780703888 NYCPOGAHIODPGI-UHFFFAOYSA-N 443.522 4.246 10 20 IICD O=C(Nc1ccc(OC2CCCC2)nc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895407 AAPPQXYIGRZMMG-UHFFFAOYSA-N 437.540 4.409 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)c1ccc(N)cc1 783486821 REDYSVWVJHCZDI-SFHVURJKSA-N 425.492 4.187 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)ccc1OC(C)C 784028451 QGZWZZCLQXFMLM-UHFFFAOYSA-N 449.345 4.319 10 20 IICD CCCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1 785084827 FPZLIJNTQJWTHC-UHFFFAOYSA-N 436.531 4.073 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4ccccc4C)c3C)cc2)CC1 787321956 KVTSINQSJQYYAV-UHFFFAOYSA-N 444.579 4.001 10 20 IICD O=C1CCc2ccc(OCCCC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2N1 787423125 CNTPGCWCPCXYNA-UHFFFAOYSA-N 434.492 4.258 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 788566017 XUIZYFABKUFDNJ-AWEZNQCLSA-N 430.492 4.090 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](C)c1ccccc1C(F)(F)F 788932928 RWMQTFGIDHXBLM-SJORKVTESA-N 447.501 4.230 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1coc(-c2cccs2)n1 791247328 WVUCEHFIKZNAIY-UHFFFAOYSA-N 441.553 4.334 10 20 IICD Cc1nn(CCS(C)(=O)=O)c(C)c1CNc1ccc(Cl)cc1C(=O)c1ccccc1 797847985 AVPJSDHWDMQSEI-UHFFFAOYSA-N 445.972 4.041 10 20 IICD O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807543770 LWGJYIMDGPHEJS-IFMALSPDSA-N 432.520 4.357 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1 813886181 XQZWPTMGSCEVRW-MRXNPFEDSA-N 440.521 4.294 10 20 IICD CC1(C)NC(=O)N(CCCSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)C1=O 814773349 HVOVHPQJJFUDBK-GDNBJRDFSA-N 445.591 4.325 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1)C1CC1 815582441 GROPZJANVHMAGB-UHFFFAOYSA-N 449.551 4.208 10 20 IICD COc1cc(N2CCN(Cc3ccc(Sc4ccccn4)o3)CC2)cc(OC)c1OC 816569298 GRWLVYLSNNJANU-UHFFFAOYSA-N 441.553 4.174 10 20 IICD CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)cc1 914438221 OMYJTRYEXZLMKM-UHFFFAOYSA-N 434.540 4.325 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC 916662835 PWLOFJDLBPGFOW-FRKPEAEDSA-N 435.910 4.492 10 20 IICD Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c12 917715902 YKKBECKZAQGVMS-GJZGRUSLSA-N 440.519 4.337 10 20 IICD Cc1ccccc1C[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917717223 HTQKYPRGFSUQDY-HNNXBMFYSA-N 428.444 4.040 10 20 IICD CCCCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC 918138846 YRTKEOQAOCBSEO-UHFFFAOYSA-N 430.520 4.170 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCSc2ccc(Cl)cc21 918203520 WBYPDESOGTWIJI-LJQANCHMSA-N 449.979 4.477 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2C)no1 918633785 OJYIFDCEDUGZRZ-IRXDYDNUSA-N 440.519 4.073 10 20 IICD Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)c(F)c3)SC2=S)c1 1115864046 UABMROISXLLFNM-XSFVSMFZSA-N 427.570 4.292 10 20 IICD CCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 1251530867 NYXMKMDKNMRFEX-UHFFFAOYSA-N 429.567 4.200 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 29071477 FWBFPJDQJYUXJF-GOSISDBHSA-N 437.521 4.189 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3CC(F)(F)F)c2C)cc1 116541387 BZJNKTMGKOPSOS-UHFFFAOYSA-N 439.463 4.017 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)ccc21 461432006 SGVMPDFLFAOQQU-DQEYMECFSA-N 445.607 4.499 10 20 IICD COc1cccc(Cn2nccc2NC(=O)NCc2c(C)c3ccccc3n2C)c1OC 468007657 YFMHBQASYAADDT-UHFFFAOYSA-N 433.512 4.070 10 20 IICD Cc1c(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n(C)c2ccccc12 471225169 BEHKWKYLABAHKZ-UHFFFAOYSA-N 432.545 4.391 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)ccc21 482263969 FGVHXAJDKXJJRF-UHFFFAOYSA-N 434.945 4.214 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 512518179 GSOUCMHAFTVTOO-XNTDXEJSSA-N 433.493 4.328 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726271509 UWWMQNUWYWHXKZ-ICSRJNTNSA-N 444.620 4.462 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c12 726564542 NAVXQVVUQSXTGM-UHFFFAOYSA-N 442.466 4.409 10 20 IICD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 727216304 ZWCJUYKWMZRZKB-CQSZACIVSA-N 431.419 4.094 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c(C)o1 727402124 DIBCJQYQNJYQNS-UHFFFAOYSA-N 437.515 4.478 10 20 IICD O=C(NCc1ccccc1O)Nc1cc(I)ccc1Br 727938439 IJJUXJZJTZQOGY-UHFFFAOYSA-N 447.070 4.081 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 729035854 OTKVDBHFRHARHM-KRWDZBQOSA-N 433.508 4.489 10 20 IICD CCN(c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1)C(C)C 731132263 XGMWIORCRZMABW-UHFFFAOYSA-N 436.600 4.413 10 20 IICD O=C(c1cc(O)cs1)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 732300945 IYLFDRQTZAQCAR-CQSZACIVSA-N 434.315 4.167 10 20 IICD Cc1cc(OC(F)F)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 733922291 VJXSBRICOFNFRU-RYUDHWBXSA-N 428.476 4.341 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)n1 737381085 YYEVXCIIEZJQND-UHFFFAOYSA-N 435.502 4.025 10 20 IICD CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nn1-c1ccccc1F 741532253 AJCZJYHNWPNTTB-UHFFFAOYSA-N 447.514 4.470 10 20 IICD CC(C)(C)Cc1nc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)no1 741673396 SMNDTFOYSFANKK-UHFFFAOYSA-N 434.540 4.092 10 20 IICD CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)cc21 742193554 UNGDHNLOZUPICB-UHFFFAOYSA-N 430.508 4.056 10 20 IICD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1cnc(C(C)(C)C)s1 742607477 VYJRDFIDJHCFAX-FLIBITNWSA-N 447.626 4.074 10 20 IICD Cc1nsc(N2CCCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)CC2)n1 742850438 BZGFXHMSOOCDDI-UHFFFAOYSA-N 429.977 4.260 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1C 743046226 QGHYXLQXPMWAQS-UHFFFAOYSA-N 442.513 4.354 10 20 IICD Cn1cc(-c2csc(NS(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)n2)cn1 743050396 QSAFSJBTIPKBEV-UHFFFAOYSA-N 433.584 4.252 10 20 IICD CN(C)C1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)Cc2ccccc2C1 743923631 COSDCTAWPURKTA-UHFFFAOYSA-N 441.535 4.256 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cc(C)ccc3F)C2=O)cc(OC)c1OC(C)=O 744413214 RXZUAYNTWCLJHA-VCHYOVAHSA-N 447.509 4.482 10 20 IICD Cc1csc([C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)n1 745864732 WIANVYXXQDEZJB-YJBOKZPZSA-N 436.528 4.472 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1cncc(Br)c1 747857321 MVOCNIZKNOEPSV-UHFFFAOYSA-N 436.765 4.483 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 748584358 OSQYPYXKVUOOCD-LDADJPATSA-N 429.523 4.465 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 750861522 PWAYLCHHQSFFBI-SFHVURJKSA-N 434.458 4.198 10 20 IICD COc1ccccc1-c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)no1 750874791 OJYVIANCNDQKCT-HXUWFJFHSA-N 435.524 4.238 10 20 IICD CO[C@@H](C)c1nc(CN2CCCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)cs1 752355634 QHAHXLGDGNBVFM-HNNXBMFYSA-N 437.993 4.120 10 20 IICD Cc1ccc(Cn2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2=O)cc1 754468939 XGHGLOSJGSTNPV-UHFFFAOYSA-N 448.592 4.080 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc(OC)c1OC 760103446 GERAIAKTKAHXPF-JOCHJYFZSA-N 445.535 4.080 10 20 IICD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O 765904859 ZEMARSOTHNNPLX-UHFFFAOYSA-N 449.345 4.115 10 20 IICD CC(C)(C)Oc1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 767262221 DZOOJFIZIYWKJY-UHFFFAOYSA-N 448.514 4.329 10 20 IICD C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 768259139 YRAATNMPDYIGGC-RUZDIDTESA-N 425.548 4.094 10 20 IICD CN(c1ccc(CNC(=O)NCc2nc(COc3ccccc3)n[nH]2)cc1)C1CCCCC1 771313489 WRJUPFOHSYFHDL-UHFFFAOYSA-N 448.571 4.152 10 20 IICD O=[N+]([O-])c1cc(CNc2nc3ccc(Br)cn3n2)ccc1N1CCCCC1 775176251 MWJGAEGTUYPSBN-UHFFFAOYSA-N 431.294 4.002 10 20 IICD Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 775481864 RWPILXTYVQYGKZ-IBGZPJMESA-N 440.613 4.131 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](CC)c1cc(Br)ccc1O 775523570 LFNXTLHNNCVFFZ-CRAIPNDOSA-N 426.376 4.448 10 20 IICD CN1CCCc2cc(CN[C@@H](c3ccc(F)cc3)c3cccc(S(C)(=O)=O)c3)ccc21 779044105 HLPBEHKWTPVABC-VWLOTQADSA-N 438.568 4.491 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3N(C)c3ccccc3)c2)CC1 781278454 NOIZSDANAHVMFA-UHFFFAOYSA-N 428.536 4.375 10 20 IICD Cc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423728 GWLAOYZJKWIYCX-UHFFFAOYSA-N 425.916 4.475 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 782788973 PKVRNDWRMULYLL-UHFFFAOYSA-N 438.572 4.104 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1F 789481265 FMQMUSLFRZQXRU-BHYGNILZSA-N 444.576 4.287 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1N1CCCC1 795494201 OMDAYBFNRKMMJY-UHFFFAOYSA-N 433.474 4.072 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(Oc2ccccc2)cn1 799718391 YXTMDQKIAHIAIA-UHFFFAOYSA-N 426.856 4.048 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802547812 FYHDKPZJOYSQEI-UHFFFAOYSA-N 440.956 4.319 10 20 IICD Cc1cc(C(=O)Cn2nc(-c3cnn(C)c3)ccc2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 809966730 LVKRSLWNPQCSLJ-UHFFFAOYSA-N 443.551 4.232 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCNC2=O)cc1 813241824 LHVJCZSTIBQURE-FQEVSTJZSA-N 449.599 4.499 10 20 IICD O=C(NCCOc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916650665 GNTKGUQYZIYUBE-LJQANCHMSA-N 438.446 4.181 10 20 IICD CCN(CC)[C@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccsc1 918007091 ZFPPEPKPTMVAJD-JOCHJYFZSA-N 430.618 4.062 10 20 IICD CCOc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OCC 918139904 HSHZQJIJJWKIMC-IRXDYDNUSA-N 430.520 4.167 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919749411 TZMRGVDWCAPNOT-UHFFFAOYSA-N 435.549 4.018 10 20 IICD COc1ccc(NC(=O)c2nnc(CN3CCCc4cc(OC(F)F)ccc43)s2)cc1 919802876 DKVWGGKSEMMJFU-UHFFFAOYSA-N 446.479 4.353 10 20 IICD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1 919882843 QCYHZFQXTOBCNA-MHZLTWQESA-N 443.591 4.440 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCc2ccccc2)cc1 919968907 PMAAFTOKTGXEPQ-UHFFFAOYSA-N 430.548 4.404 10 20 IICD Cc1cc(Br)cc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1O 929067335 OUMJWBBKSWILNL-UHFFFAOYSA-N 426.358 4.461 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C(C)C)[nH]n2)C3)cc1 1845398826 HZLCAMPIYQQFTB-UHFFFAOYSA-N 445.567 4.071 10 20 IICD Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cn1 11480758 BYBHQJJKZMSZDU-UHFFFAOYSA-N 442.313 4.303 10 20 IICD CC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)s1)C1CC1 25771504 KNQRSNXJHNFFAN-UHFFFAOYSA-N 426.567 4.436 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2ccccc2)no1 71933368 DCWUNWRLGQMJMV-UHFFFAOYSA-N 431.414 4.127 10 20 IICD Cc1c(CNC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)n(C)c2ccccc12 471680690 VQWQPHXTURBDIQ-UHFFFAOYSA-N 426.511 4.229 10 20 IICD Cc1cc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)ccc1NC(=O)C1=S=CC=C1 680661138 FWBRQHYEXRHRGK-UHFFFAOYSA-N 441.459 4.453 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(-c4cccs4)c3)cc2)C1 726078769 PKMIACAOULJFJH-LJQANCHMSA-N 434.565 4.439 10 20 IICD CC(C)N(C)CC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726722928 YPXBIVUTGGHJQW-UHFFFAOYSA-N 438.563 4.019 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 726726064 MIVSLGWHCRYDQY-UHFFFAOYSA-N 445.519 4.211 10 20 IICD CCOc1ccc(OCC)c(NC(=S)NCc2ccc(N3CCC(CO)CC3)cc2)c1 726904115 XLPGQNZNSYWHET-UHFFFAOYSA-N 443.613 4.179 10 20 IICD O=C(CN(Cc1ccsc1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 727434466 LKHLBQZWBQHSOP-UHFFFAOYSA-N 439.556 4.047 10 20 IICD COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1 728401180 NDHQNPSCRCLRFC-UHFFFAOYSA-N 435.549 4.167 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 729049367 NWEXCLAKRFOUHO-HNNXBMFYSA-N 437.471 4.353 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 729174303 CQQMOEVGNXLZEV-DFBJGRDBSA-N 433.596 4.243 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3CCC(c4ccccc4)CC3)cc2)C1 730964987 VVJDVANNYKCCRN-BOYUCYPVSA-N 433.596 4.369 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1 731016410 JFIHSKFBSUNZEZ-JOCHJYFZSA-N 437.559 4.231 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1N1CCCC1=O 731105332 LKVQISWJEGHTFF-UHFFFAOYSA-N 436.556 4.380 10 20 IICD C[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 732063542 UORKOANZAMVMSE-YADHBBJMSA-N 435.612 4.044 10 20 IICD Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)CCC2 732452012 XRHLSJUPUCHRKA-VFCRVFHLSA-N 446.592 4.423 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)cc1 737140463 ZBQPLDFNZVJUPX-UHFFFAOYSA-N 445.519 4.165 10 20 IICD COc1ccc(C(=O)NCCCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 742415917 DHQZALXSLAALNF-UHFFFAOYSA-N 437.584 4.291 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 742483083 GSWAJUPBDYQKKH-UHFFFAOYSA-N 449.576 4.408 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(Cl)c2)NC(=O)OC(C)(C)C)cc1 742749304 FQHQXPQFVVAPMY-HXUWFJFHSA-N 431.964 4.331 10 20 IICD CCC(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743101001 LXRKCNYUPBCFSO-KRWDZBQOSA-N 432.471 4.427 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)NC(=O)OC(C)(C)C)cc1 743725180 HIIRXJHWRXYGPC-GOSISDBHSA-N 433.936 4.107 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OCc2noc(C)n2)cc1 743808787 FFHWRIBWGIDFKY-UHFFFAOYSA-N 446.301 4.087 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3nc([C@@H](C)OCC(C)C)no3)c2C)cc1 744698981 QMNODGATQDPRQF-GOSISDBHSA-N 440.544 4.492 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 745887440 AKVAJNIXJMHCMJ-UHFFFAOYSA-N 426.948 4.042 10 20 IICD O=C(/C=C\c1ccccc1OC(F)(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 746010505 JLMVJWZRPRAKPM-VURMDHGXSA-N 438.421 4.015 10 20 IICD Cc1oc2c(CN3CCO[C@@H]4C[C@H](N(C)C)CC[C@@H]43)c(O)ccc2c(=O)c1-c1ccccc1 746647380 INLGRMLKDHHTSL-WNOPAQSVSA-N 448.563 4.158 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1-c1ccc(F)cc1 747209592 LYGCASSTHLSNPZ-UHFFFAOYSA-N 439.506 4.263 10 20 IICD Cc1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c(C)n1-c1ccccn1 748783019 LQWFLKWDZSHSIB-FQEVSTJZSA-N 440.341 4.465 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@H]1c1cccs1 751931659 RSSMDUZNGBKTRG-KSSFIOAISA-N 441.578 4.287 10 20 IICD C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)cc(F)c1O 756355116 NDQHXPWWHQHMKI-MLGOLLRUSA-N 429.355 4.079 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3Cn3c(C)nc4ccccc43)CC2)cc1 756692756 DGBMHPWEPYCRIZ-QFIPXVFZSA-N 447.583 4.196 10 20 IICD Cc1cc(C(=O)OCc2cc(=O)c(OCc3ccccc3)co2)c(C)n1-c1ccccn1 760228564 XAQQSXNBIKJMND-UHFFFAOYSA-N 430.460 4.378 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 760889807 VECDPLYVEZKDQU-UHFFFAOYSA-N 445.567 4.038 10 20 IICD C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 762496583 LZQAMDUJXKWWPB-CQSZACIVSA-N 431.558 4.069 10 20 IICD C[C@@H](NC(=O)N(CCCO)[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 763075361 AZTPGOZTWZQIBI-NLFFAJNJSA-N 437.584 4.056 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)C2)c1 766437316 JKNPIEHJRWPNLE-MSOLQXFVSA-N 445.991 4.123 10 20 IICD O=C(Cc1noc(-c2ccc(-n3cccc3)cc2)n1)Nc1nc(-c2ccncc2)cs1 771106617 GHIVXXCFGCBELU-UHFFFAOYSA-N 428.477 4.227 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Sc2ccncc2)cc1 772480484 OTYWFNFTQMOAEN-UHFFFAOYSA-N 433.533 4.072 10 20 IICD COc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1C 772956450 XFDYARNQTCLBTL-UHFFFAOYSA-N 435.524 4.139 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)c2C)c1 777838160 SKTJNKYIBQFNPS-HSZRJFAPSA-N 431.536 4.252 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 779489968 UVVGJAXSXDUKSG-FUKPKEADSA-N 434.458 4.024 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(Br)c3Cl)c2)CC1 779918517 VAMJPMZNHMMZCX-UHFFFAOYSA-N 436.737 4.057 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897542 YHBRMRIFWXWZGK-UHFFFAOYSA-N 432.524 4.186 10 20 IICD CS(=O)(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 782992711 HXXMIYJUHCSOFN-UHFFFAOYSA-N 437.481 4.051 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c12 783592631 KMMUIUHXMXGVQU-QFIPXVFZSA-N 435.568 4.383 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 785423282 VLZMKTGIMPQJQI-QFIPXVFZSA-N 439.918 4.067 10 20 IICD CCOc1ccc(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)c(O)c1 786578194 CKDSBXPQWONYKS-UHFFFAOYSA-N 438.362 4.335 10 20 IICD C[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 788931070 DLXNKUDAFHWUDL-KRWDZBQOSA-N 447.501 4.232 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1F 790714157 LWLPYGNYOAWGMC-MRXNPFEDSA-N 435.565 4.026 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1C 792486773 DPHFWNQMYNDQLW-UHFFFAOYSA-N 447.583 4.274 10 20 IICD C[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cc2c(cc1O)CCCC2 793561360 DXIMMWFPTXPOQL-YHAMSUFESA-N 433.552 4.347 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 797737359 YHCZXLMJPJWXPU-UHFFFAOYSA-N 438.867 4.395 10 20 IICD CS(=O)(=O)Cc1nc(CNc2ccc(Cl)cc2C(=O)c2ccc(F)cc2)cs1 799966832 CGHAHSVLPOGJNH-UHFFFAOYSA-N 438.933 4.323 10 20 IICD CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](c2cccc(F)c2)C1 800645668 KXVXXSSNFDQGLV-QIBOZCLASA-N 442.487 4.071 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)NCCCSc1nccs1 806281233 RBGITIGHBZCBND-KRWDZBQOSA-N 445.635 4.212 10 20 IICD Cc1cc([C@H]2CCCN2C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1 914452622 YLBSLQCSRGHQHZ-WISAJEAXSA-N 447.607 4.390 10 20 IICD CCN(CC)C(=O)N1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 915206852 OBDNDHFBMOTZPN-UHFFFAOYSA-N 449.551 4.053 10 20 IICD CCOc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1S(=O)(=O)N(C)C 917938451 NSGUJOPGCCEHCN-UHFFFAOYSA-N 447.582 4.057 10 20 IICD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 918140602 YAFZQMFXMGPJDI-YKSBVNFPSA-N 438.524 4.005 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCc2cc(OC(F)F)ccc21 919804903 QOFIJBZQGZDJPH-UHFFFAOYSA-N 426.467 4.482 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Cl)ccc1Br 919969247 RQRZIUHHBRIMMV-UHFFFAOYSA-N 437.765 4.241 10 20 IICD CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3Cc3ccccc3)cc2F)CC1 1115863158 OHRNJKIHIIUTHB-VWLOTQADSA-N 430.527 4.344 10 20 IICD CCOc1ccc(N2CCN(Cc3csc(CC(=O)Nc4ccccc4)n3)CC2)cc1 1116391115 QEZPAUBMVDSSIQ-UHFFFAOYSA-N 436.581 4.045 10 20 IICD Cc1ncc(Br)c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n1 1324552027 PHUCVIRSIDRWAM-UHFFFAOYSA-N 446.276 4.134 10 20 IICD CCOCc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1329988130 AEHINQCUEBEXRT-INIZCTEOSA-N 428.488 4.438 10 20 IICD Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(N2CCOCC2)c(F)c1 237794137 IQSOGRYFCNLRAT-UHFFFAOYSA-N 430.474 4.033 10 20 IICD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 543872995 CXULFOKFGGQTQY-UHFFFAOYSA-N 436.556 4.364 10 20 IICD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 726092364 GSSBOVXXCSGMGI-GOSISDBHSA-N 435.524 4.426 10 20 IICD COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 730172902 BALHJLGXWXBUFO-JQTTXECVSA-N 426.532 4.253 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1 730593007 FLHWFZYPNXYEDI-HEHNFIMWSA-N 442.606 4.440 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 730593440 OFDOBHUUICEPTK-HMMYKYKNSA-N 429.563 4.164 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)cc1 731059188 ZYLLGSGECGLENQ-UHFFFAOYSA-N 449.985 4.333 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4ccccn4)cc3)cc2F)CC1 733846271 QNBOKLZTQZKUKV-UHFFFAOYSA-N 449.530 4.477 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4cnn(C(C)C)c4c3)cc2)CC1 737190549 LMBLYMXUWQTLLP-UHFFFAOYSA-N 433.556 4.108 10 20 IICD Cc1cc(C(=O)COC(=O)CCCc2nc(C3CC3)no2)c(C)n1-c1cccc(F)c1 740316959 GPLQXSJEXQRMQF-UHFFFAOYSA-N 425.460 4.242 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1NC(=O)CN1CCCCC1 742400150 APUKXQFCRPUNIC-UHFFFAOYSA-N 445.567 4.474 10 20 IICD COc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 743413107 AQMSHYPLZUOBIT-UHFFFAOYSA-N 429.948 4.372 10 20 IICD COc1ccc2c(c1)OCC[C@H]2NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743651139 ZRJMOCQXGJPFOO-MGPUTAFESA-N 447.482 4.088 10 20 IICD CN(C)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1F 746798705 RCLYVDQMOOBVED-UHFFFAOYSA-N 429.499 4.129 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3CCCC4)n2)cc1 748092160 WVCMMNURLOKQTE-UHFFFAOYSA-N 427.551 4.448 10 20 IICD CCCCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 748246376 XQBYOTBXMDTALE-UHFFFAOYSA-N 425.573 4.404 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)ccc21 748683718 GHQPMQIHRHOYNS-UHFFFAOYSA-N 427.551 4.218 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3Br)cc2F)C[C@@H](C)O1 749145242 VYIPSMURNIFCAM-VXGBXAGGSA-N 439.285 4.117 10 20 IICD CCCOc1ccc(-c2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cs2)cc1 749847307 GSKYTJTUSUMNIM-UHFFFAOYSA-N 437.565 4.366 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O 750629426 MRUUBMGPPWEFPO-INIZCTEOSA-N 441.528 4.308 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC2)cc1F 753742106 OYAPCAAUUBGWQD-UHFFFAOYSA-N 429.492 4.368 10 20 IICD CC[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(C)noc1C 756869205 TVOYCNIWHIIQCI-LHSJRXKWSA-N 431.492 4.135 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 757582716 PEGPUMWXYGJGME-QGZVFWFLSA-N 425.529 4.085 10 20 IICD COc1ccc(N(C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1Cl 757857427 SOOXTGCAEIKACY-LJQANCHMSA-N 430.932 4.310 10 20 IICD C[C@@H]1C[C@H]1c1noc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n1 762257296 YVUIUAWYCVUZSC-SEXWMPPMSA-N 436.356 4.357 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCc2c(F)cccc21 763747838 NVZINYLOJZTIPY-SFQUDFHCSA-N 432.567 4.458 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cnn1-c1ccccn1 764526049 IWIMYTYOBBZVQU-UHFFFAOYSA-N 431.930 4.153 10 20 IICD Cc1c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1 765332443 XWYFZIFCIXHWEX-SJORKVTESA-N 425.964 4.478 10 20 IICD Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)nc12 773451814 VDXYKAVHNKSPSY-HNNXBMFYSA-N 444.377 4.074 10 20 IICD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773848421 WXIYAYWDMJDKDG-SFHVURJKSA-N 447.583 4.360 10 20 IICD CC[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccccc1O 775489731 QWUGFAXPLGJPDR-JOCHJYFZSA-N 428.529 4.251 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC3 779420055 YFYRNHVDRUESHU-VQTJNVASSA-N 433.552 4.430 10 20 IICD CN(C)c1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895973 IHPKCJBSOSWUTK-UHFFFAOYSA-N 429.948 4.412 10 20 IICD O=C(Nc1ccc(OCC(F)F)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897553 YKXIVGOTHWNFBL-UHFFFAOYSA-N 432.467 4.336 10 20 IICD Cc1c(Br)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783313602 CECIMNIHIMGUNP-UHFFFAOYSA-N 432.362 4.199 10 20 IICD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCSCC2)cc1 785336650 ICCVIAMVNQQUCE-UHFFFAOYSA-N 437.974 4.210 10 20 IICD COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 785422959 RLFFJWAULCBXRC-LJQANCHMSA-N 445.563 4.264 10 20 IICD O=C(c1cc2sc(N3CCCC3)nc2s1)N(Cc1ccccc1O)C[C@H]1CCCO1 793733029 WDNDKPPCEVZRJX-MRXNPFEDSA-N 443.594 4.485 10 20 IICD COc1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c(O)c1 794370924 SMDXAKKKHTVHHC-UHFFFAOYSA-N 448.544 4.012 10 20 IICD COc1ccc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c(O)c1 794376611 KCZFTTRLDDCVCM-UHFFFAOYSA-N 434.418 4.054 10 20 IICD COc1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)c(O)c1 794382316 VKZMFOARVCCIAJ-UHFFFAOYSA-N 429.270 4.281 10 20 IICD Cc1cc(C(=O)COc2c(Cl)cncc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2 795247770 YPPIWSBEEAYEHQ-UHFFFAOYSA-N 443.843 4.084 10 20 IICD CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 801830048 ZEMWTISPLPTAAL-UHFFFAOYSA-N 443.555 4.241 10 20 IICD Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 803909713 OVUSNAAWRHVBLG-AWEZNQCLSA-N 446.459 4.066 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)s1 806228227 YRZKPPLRWOPEJW-INIZCTEOSA-N 432.929 4.496 10 20 IICD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O 806242024 VMGSFSYIHNRUBM-UHFFFAOYSA-N 438.311 4.265 10 20 IICD CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)ccc1F 807072949 DBOMSLJPCFIELW-CQSZACIVSA-N 445.922 4.173 10 20 IICD C[C@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1O 813884594 GSHQSNVVHKFAPW-HNNXBMFYSA-N 427.482 4.415 10 20 IICD COc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O 915338184 UGOSOGIOHYSAAS-UHFFFAOYSA-N 436.556 4.476 10 20 IICD COc1ccc(Oc2cc(CNC(=O)NCc3ccc(N4CCCC4)cc3)ccn2)cc1 916404166 LDBIRYFQHXBFPN-UHFFFAOYSA-N 432.524 4.482 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1-n1cccn1 916687794 JABSMVSVXNCGHP-UHFFFAOYSA-N 425.920 4.026 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2)C1 917834344 WYYYFDIRIARZPL-HXUWFJFHSA-N 447.510 4.250 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 917846326 PJEGCOHYHLLZDL-UHFFFAOYSA-N 437.546 4.466 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(-n3cccn3)cc2)cc1 919653593 MYJWRSLJBWZBCI-UHFFFAOYSA-N 429.524 4.443 10 20 IICD COc1ccc(OC)c(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 919786183 HTWOVOJXWYFOSU-UHFFFAOYSA-N 437.540 4.317 10 20 IICD CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792297756 HJIZDPLGKYIJLZ-WUXMJOGZSA-N 438.524 4.387 10 20 IICD CCc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)co1 1798912636 GABZDZZEJOUIHL-QQFNCUIESA-N 446.551 4.210 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3F)n[nH]2)cc1 1821818007 JUTUEHHXSCYIAT-JAXLGGSGSA-N 449.530 4.481 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 27253322 ATPUUHZBQUTZPA-UHFFFAOYSA-N 447.564 4.061 10 20 IICD CC[C@@]1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC(=O)NC1=O 65139878 ZMKJUINZKYSPFS-SANMLTNESA-N 429.520 4.431 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccnc3SCc3cc(C)on3)CC2)cc1 110356049 ZYFUHHQDTYQTHT-UHFFFAOYSA-N 438.553 4.078 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1cccc(Br)c1 248077337 UOAHYFNKTOALRT-UHFFFAOYSA-N 447.373 4.103 10 20 IICD Cc1c(CNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)n(C)c2ccccc12 471232191 TVKAAKFZEJNKSZ-UHFFFAOYSA-N 432.545 4.391 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc21 482017315 RQTUFNUUFKNGIW-UHFFFAOYSA-N 434.584 4.217 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)ccc21 483402782 GRWYCTKDQTYIND-UHFFFAOYSA-N 439.581 4.001 10 20 IICD COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@H]2c2c[nH]nc2-c2cccnc2)cc1 594785437 MQOFXLXXDLQMAX-RUZDIDTESA-N 439.519 4.314 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)COc1ccc(F)cc1 726856817 NZKNUZDRGQUAHW-QGZVFWFLSA-N 430.501 4.012 10 20 IICD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 727217298 GXHYPHZTVIAFLG-AWEZNQCLSA-N 439.339 4.029 10 20 IICD CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 729034226 IMOZSURANGXARM-HNNXBMFYSA-N 432.952 4.079 10 20 IICD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1ccc(N2CCC(CO)CC2)cc1 729523552 PZMSSTGGUPQQIL-UHFFFAOYSA-N 439.943 4.063 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C)nc3cc(C)nn23)cc1 732115327 WUNFELJZYLBPTB-UHFFFAOYSA-N 429.524 4.268 10 20 IICD COc1cc(OC)cc([C@H](O)CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 735692939 TTZUCEAYCUKPIZ-HSZRJFAPSA-N 442.943 4.157 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(-c4noc(CC(C)(C)C)n4)cc3)CC2)cc1 741518011 PNHDAFMBRCJWEH-UHFFFAOYSA-N 434.540 4.296 10 20 IICD C[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752404 GRFPCIWNZXLYGF-HTAPYJJXSA-N 443.563 4.453 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(CC(F)(F)F)CC1 743423458 ISHRDKLQSISKAO-UHFFFAOYSA-N 433.434 4.183 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(F)c1 748114008 PHUDGFJKAPSUDJ-UHFFFAOYSA-N 426.444 4.079 10 20 IICD CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C12CCCCC2 748625417 LTFWITUZMUBUJB-WTIAFYNJSA-N 429.605 4.354 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)c2C)cc1 749067431 IWWNVCYKNWBLNG-IBGZPJMESA-N 432.568 4.453 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)C1(C(=O)NC2CC2)CC1 749733100 OXNBKHRYBZXXKW-LJQANCHMSA-N 445.485 4.357 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4ccccc43)cc2F)C[C@@H](C)O1 749931454 NDBZOXBAUFDZGX-FVJLSDCUSA-N 427.520 4.152 10 20 IICD CN(C)c1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1F 751112620 MMDLQBCEGCNXKQ-UHFFFAOYSA-N 435.337 4.019 10 20 IICD COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)NCc3ccc(N(C)C)cc3)s2)cc1 754826911 BYZKHCSFQNEDJL-MRXNPFEDSA-N 438.597 4.160 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 758415092 FAZAQKRNFIXWGY-BXUJETTOSA-N 441.530 4.235 10 20 IICD COCCn1cc2c(n1)[C@H](N[C@H](C)c1cc(Br)cc(Cl)c1O)CCC2 760887967 PFPFHSXZOCXWHF-BDJLRTHQSA-N 428.758 4.379 10 20 IICD COc1ccccc1[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nccn1C 764813104 CKIJNOVKBWUFOM-HXOBKFHXSA-N 440.975 4.359 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C 764894912 MPUMAEYHHKDUAV-UHFFFAOYSA-N 441.572 4.417 10 20 IICD CCOc1cc(CN(Cc2ccco2)Cc2ccccc2O)nc2nc(C(F)(F)F)nn12 766885856 YNDVNTBTKVSJOV-UHFFFAOYSA-N 447.417 4.043 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)c1 769881810 BTIBNAFBYCAYSL-UHFFFAOYSA-N 446.912 4.248 10 20 IICD Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2Cl)n1 770487032 NMGJBOFEVKCEDN-AWEZNQCLSA-N 442.903 4.325 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(O)c(F)c2)no1 771223341 KROARTAYONSTJC-GDNBJRDFSA-N 447.538 4.477 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCC1(Cc3ccccc3)CC1)c2[N+](=O)[O-] 772289109 YQQYXCWYJVOFPI-UHFFFAOYSA-N 440.455 4.123 10 20 IICD CC[C@@H](C)Oc1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccn1 777736689 GMZFDCUICLHQRD-MRXNPFEDSA-N 448.514 4.329 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 781375014 GQQZTNYYGJEKLC-QFIPXVFZSA-N 425.577 4.079 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 785296026 ATDOLRVMPOVIKD-ZDUSSCGKSA-N 442.874 4.243 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 788447226 WYIAXGJDJHBPSZ-AZUAARDMSA-N 436.474 4.464 10 20 IICD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)cs1 788466112 SZDHDDSTBQVJSE-HOTGVXAUSA-N 436.581 4.239 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)c(Cl)s2)nc1-c1ccccc1 788840876 DVMRGPFCMLBAJF-UHFFFAOYSA-N 442.971 4.350 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCOc1ccc(F)cc1 791250532 RMZNLVRWFONZPY-UHFFFAOYSA-N 430.520 4.373 10 20 IICD COCCCC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 792286217 KTPBZWHHSGBGCD-DEOSSOPVSA-N 425.573 4.475 10 20 IICD CC(C)NS(=O)(=O)c1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796275502 LOKCVDYUMQMIBN-UHFFFAOYSA-N 449.620 4.226 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc12 805135385 SBGMCQTUGKNIFJ-UHFFFAOYSA-N 439.320 4.289 10 20 IICD CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] 807513004 GDEQUPLCARPXNQ-UHFFFAOYSA-N 440.283 4.160 10 20 IICD O=c1c(Cl)c(NCc2cc(Cl)cc(Cl)c2O)cnn1-c1nc2ccccc2[nH]1 808090146 QTROCHSKOOHSNW-UHFFFAOYSA-N 436.686 4.387 10 20 IICD COc1cc(O)c(CN(Cc2ccccc2Br)C2CCN(C)CC2)cc1OC 811512526 NKXCFUYFLMZMHO-UHFFFAOYSA-N 449.389 4.268 10 20 IICD Cc1cnn([C@H]2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)c1 811636883 NLXZKXGVPMXCHU-VXKWHMMOSA-N 428.496 4.186 10 20 IICD C[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)c1nc(N)nc(N(C)C)n1 814774171 SKGDRXADORWGCJ-WWNSAXIVSA-N 442.595 4.199 10 20 IICD CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 857471810 BNFFPAJYFAJHAS-JOCHJYFZSA-N 429.992 4.282 10 20 IICD O=S(=O)(c1ccc(NNC(=S)Nc2cccc(C(F)(F)F)c2)cc1)C(F)(F)F 914704051 UXGRCYWUZADYNO-UHFFFAOYSA-N 443.394 4.312 10 20 IICD Cc1cc(C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)c(C)n1-c1ccccn1 914906578 NLDUDXXVHOBIHV-UHFFFAOYSA-N 447.516 4.008 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 915342943 IXVOLVSVHZCUIV-HSZRJFAPSA-N 436.556 4.458 10 20 IICD Cc1cc(Br)oc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917714093 MYHHJFAZGQHFOG-BETUJISGSA-N 425.298 4.033 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccccc1Br 918064536 BCIFGNWRDVHAEU-UHFFFAOYSA-N 446.389 4.187 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 918428949 DYOTWFOFQPKPAI-UHFFFAOYSA-N 448.592 4.475 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)c2C)c1 918661721 KTMSKGPZRIYAJQ-SFHVURJKSA-N 439.581 4.144 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 1116347871 CHHFVDPOLBQUGJ-UHFFFAOYSA-N 435.549 4.362 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)cc1 108431838 HKCZFMYZUXOSPE-UHFFFAOYSA-N 433.508 4.201 10 20 IICD COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC(F)F 110083256 WHQMMPBBCAYUTJ-IBGZPJMESA-N 434.483 4.184 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C 248144186 VGWGMZWLHNDNIG-UHFFFAOYSA-N 437.613 4.399 10 20 IICD CCC(=O)Nc1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726704299 MGOYRMYLAHUGBX-UHFFFAOYSA-N 446.498 4.105 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc21 729040114 CHIYESGXMHYCLD-INIZCTEOSA-N 438.528 4.107 10 20 IICD COc1cccc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O 729859788 ZFKZAULMWOOFOU-UHFFFAOYSA-N 430.460 4.258 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 731166219 JYZCOPLYBGSZLT-UHFFFAOYSA-N 436.577 4.437 10 20 IICD CCc1nc([C@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 732228455 NBSILNJPMCNQMR-UONOGXRCSA-N 433.533 4.159 10 20 IICD CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 738458656 GMUFYQJNGJQUIK-HXUWFJFHSA-N 436.478 4.230 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3O)C3CCCCC3)cn2)CCO1 745468088 NOCJSWQCBMVQNP-LJQANCHMSA-N 438.572 4.057 10 20 IICD Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 747979915 MONUUANQCRBWAR-UHFFFAOYSA-N 441.915 4.185 10 20 IICD COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2)cc1 751317506 GMQCCSULYUEESQ-HNNXBMFYSA-N 429.494 4.241 10 20 IICD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 752089253 SPCOWHIZXQYYRM-INIZCTEOSA-N 442.512 4.414 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(NC(=O)C(C)C)ccc3Cl)CC2)cc1F 753732560 VHDBDOLSFXHEGT-UHFFFAOYSA-N 433.911 4.045 10 20 IICD C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 764629369 NNPYLUANDLYSHE-MRXNPFEDSA-N 449.364 4.262 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](C[C@H]2CCOC2)C1 774236384 XARVZWCBXXNTGL-IPMKNSEASA-N 437.531 4.105 10 20 IICD CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)c(Cl)c1O 775507529 MSVYPVMJQDVEDJ-SFHVURJKSA-N 443.396 4.175 10 20 IICD COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2cccc3ccccc23)c(C)s1 777696562 YQEQWGCBEUQRHK-UHFFFAOYSA-N 445.547 4.316 10 20 IICD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)c3ccccc23)cc1 777971435 KCAXUCHFAQSGJG-UHFFFAOYSA-N 425.554 4.123 10 20 IICD Cc1nc(CCC(=O)NCc2ccc(O)c(O)c2)oc1-c1ccc(Br)cc1 778918996 QPJXCHYORZYSPH-UHFFFAOYSA-N 431.286 4.073 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 779874316 NTROZDLCPKUKLI-INIZCTEOSA-N 429.542 4.425 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Cl)cc1-n1cccn1 788307310 OJTYLJGVWQEGRE-UHFFFAOYSA-N 439.947 4.056 10 20 IICD CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cc(Br)ccc2O)cn1 792190754 YGFIJEBHQROGQP-NRFANRHFSA-N 430.346 4.107 10 20 IICD CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cc(Cl)cc(C(C)=O)c2O)cn1 792378139 OHGRNWHLWQXPTP-JOCHJYFZSA-N 427.932 4.200 10 20 IICD CCCCn1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C(C)C 792499315 DQKOPZCHNYJHIN-UHFFFAOYSA-N 431.556 4.229 10 20 IICD CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 795110876 FISJJSSUNRYYFB-QGZVFWFLSA-N 437.945 4.008 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)c2C)c1 796335851 XQFUHBBPWILRQJ-JXFKEZNVSA-N 440.531 4.491 10 20 IICD COC(=O)c1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1OC(C)C 799245559 KRCISROZVJALPZ-UHFFFAOYSA-N 443.569 4.135 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 799784710 AKAMQXZOJKGKKZ-IBGZPJMESA-N 426.561 4.256 10 20 IICD C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 812718313 PMBIKASNPXYCMW-CVDCTZTESA-N 431.621 4.021 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1OC 914793571 VIDLZBWBMFAHSZ-UHFFFAOYSA-N 442.465 4.230 10 20 IICD Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccc(N2CCSCC2)cc1 917386102 OWQOYHXZLURAMU-UHFFFAOYSA-N 426.973 4.317 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cc(Br)ccc3F)CC2)cc1 918006810 MYYKVDBVYSBNER-UHFFFAOYSA-N 436.325 4.019 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 919916001 MGTFNPTWRBLPHW-STXHMFSFSA-N 447.938 4.416 10 20 IICD C[C@@H]1CCCN(Cc2csc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)C1 920869413 YIGAVNPNALCYQA-QZTJIDSGSA-N 443.617 4.094 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(Cn4cccn4)cc3)cc2F)C[C@@H](C)O1 921119608 RINRAVUKGRVUBV-HDICACEKSA-N 437.519 4.006 10 20 IICD CN1CCN(c2ccc(CNCC[C@H](O)c3ccc(Cl)c(Cl)c3)cc2F)CC1 1323805629 CEGMEEOBOOWXEL-NRFANRHFSA-N 426.363 4.098 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1785890477 WFXTZPGSWQLGKJ-IBGZPJMESA-N 444.915 4.068 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@@H]1CC=CCC1 1814793187 XDVSYAOQBMRFHW-DYVFJYSZSA-N 444.919 4.137 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@H]1CC=CCC1 1820830808 XDVSYAOQBMRFHW-GUYCJALGSA-N 444.919 4.137 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 16911913 FLXVXJHXGQQBEA-GZTJUZNOSA-N 433.482 4.094 10 20 IICD COc1ccc2nc(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2c1 117529598 TYMIPZAHGPNNSS-HOTGVXAUSA-N 437.515 4.235 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O 216477942 NSWJMEWEYSPOMH-NRFANRHFSA-N 445.563 4.431 10 20 IICD Cc1c(CNC(=O)Nc2ccc(N3CCOCC3)c3ccncc23)n(C)c2ccccc12 471173060 OKASESBNYANYPH-UHFFFAOYSA-N 429.524 4.193 10 20 IICD CCOc1ccc(CCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1OCC 726702695 LHCGVYRVTOXGQS-UHFFFAOYSA-N 441.572 4.003 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 729316430 UYQBPKBXKAWMTL-UHFFFAOYSA-N 438.959 4.291 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)cc2)CC1 731109986 UZFKGJVUVUUISL-QHCPKHFHSA-N 436.556 4.362 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cc(Br)c(OC)c(OC)c1 731282351 NRWPNTWWWZYDGD-UHFFFAOYSA-N 437.334 4.294 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)cc1F 731345906 LIWAIHDGJPZZMJ-OAHLLOKOSA-N 435.540 4.188 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccoc3COc3ccc(C=O)cc3)CC2)cc1 731613282 XEZKJBLOUMRRBW-UHFFFAOYSA-N 434.492 4.032 10 20 IICD Nc1cccc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)c1 731801670 LPBBIPLVHLAYBF-RVDMUPIBSA-N 428.564 4.214 10 20 IICD CN(c1ccc(CNC(=O)NCC[S@@](=O)Cc2ccccc2)cc1)C1CCCCC1 735094670 DVZRTORDTRZPOE-SSEXGKCCSA-N 427.614 4.204 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1Sc1ccccc1 741912805 KDELUQYCLJVXBW-UHFFFAOYSA-N 438.574 4.325 10 20 IICD CCSc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccn1 742755065 VGQVXOPWXKLZCC-LJQANCHMSA-N 444.601 4.255 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)nn1 743191181 FCDNKPXUWGWZBC-SFHVURJKSA-N 433.512 4.297 10 20 IICD COc1cccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1O 745798912 ADTRQUIERLJQHB-UHFFFAOYSA-N 442.519 4.312 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1 746725003 WQUDYLYMPRXTSH-IBGZPJMESA-N 433.474 4.241 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4nn(C(C)C)cc4c3)cc2F)CC1 747546204 BEKPWDMXDKDZNZ-UHFFFAOYSA-N 438.551 4.220 10 20 IICD O=C(CCCc1nc(-c2cccs2)no1)Nc1c(-c2ccccn2)nc2ccccn12 751299115 IBZMCIFNUMWGOL-UHFFFAOYSA-N 430.493 4.469 10 20 IICD O=C(Nc1cnccc1-c1cccc(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 753551899 DESOLDLKMGDWDE-UHFFFAOYSA-N 445.450 4.354 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Br)cc2O)s1 756484359 VEFIEDLECHEXPC-GFCCVEGCSA-N 447.420 4.098 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 762263718 LBFCNSOSUPHAME-UHFFFAOYSA-N 432.307 4.052 10 20 IICD O=C(NCCc1nc2cc(Cl)ccc2s1)NCc1cccc(Br)c1O 764798896 XIPPDONLTMTHQY-UHFFFAOYSA-N 440.750 4.460 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C(C)C 766574894 STPDGHCQYBCYIJ-UHFFFAOYSA-N 439.604 4.154 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1OC(C)C 767979312 HMIJFTDDNBJUQN-UHFFFAOYSA-N 427.545 4.013 10 20 IICD COC(=O)c1cn(CC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c(C)n1 771584951 AHFNXBQBTJVFRB-UHFFFAOYSA-N 430.302 4.031 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)c1ccc(N(C)C)cc1 773847157 PAHOHLHKKYWRKE-LBPRGKRZSA-N 425.476 4.065 10 20 IICD CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OCC(=O)N1CCCC1 775054064 RRZGZGCABVTZMM-NRFANRHFSA-N 444.959 4.490 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 775136695 FWLSSPQRPONKKD-SDBXPKJASA-N 447.089 4.052 10 20 IICD C[C@H](NC(=O)Nc1ccccc1OCC(=O)Nc1cccnc1)c1ccc(N(C)C)cc1 775792404 ROCCTGWKYFSJNI-KRWDZBQOSA-N 433.512 4.048 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](OC)c3ccccc3Cl)CC2)cc1 776205003 HQOSOHMRVFBKGU-JTSKRJEESA-N 431.964 4.347 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2cc(Br)cc(C)c2O)N(C)C)cc1OC 779029850 KSVJZPPEYGUXQO-KDOFPFPSSA-N 437.378 4.434 10 20 IICD Cc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c(O)c1O 780944713 QJAGMCHZWHTUFE-UHFFFAOYSA-N 433.251 4.008 10 20 IICD CC(C)n1ncc2c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc(-c3cccs3)nc21 782232611 NMBURLKSAZVXKF-UHFFFAOYSA-N 437.477 4.192 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c12 782458168 NVSLVRJHTVGTNV-UHFFFAOYSA-N 443.494 4.496 10 20 IICD CCN(CC)CCCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 782502195 VUWWFJUTQBQLOK-UHFFFAOYSA-N 432.678 4.283 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 784222782 MCHKDFPMTMVDPE-DEOSSOPVSA-N 430.593 4.123 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)cc2)CC1 786656579 OKYYXKKCEXURPX-VBOOUTDYSA-N 445.607 4.020 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)nc1F 791738093 OYLKEYKLCJGVJB-FMIVXFBMSA-N 425.507 4.041 10 20 IICD O=C(NCc1ccc2ncccc2c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 792066263 JCEIPQZMQHZAJZ-UHFFFAOYSA-N 426.467 4.304 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)cc1 793577529 UYLRECSIWWMGOU-VXGBXAGGSA-N 430.339 4.499 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 797460379 PAAVHDQEXCMZEM-UHFFFAOYSA-N 425.964 4.360 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](C)c3ccc(SC)cc3)CC2)cc(OC)c1OC 798504422 HRZLZFUWVDPFNK-INIZCTEOSA-N 445.585 4.027 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)c2C)cc1 801116729 GHFMEAVUSUBQQV-RUZDIDTESA-N 441.572 4.480 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 805277176 PPVSFTVGHBZWFP-QGZVFWFLSA-N 439.453 4.297 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F 807005898 HWHPIXIADFSNRS-UHFFFAOYSA-N 426.847 4.067 10 20 IICD COCCCOc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 807427613 CCOUQJPPEKGWTQ-UHFFFAOYSA-N 425.573 4.434 10 20 IICD COc1cc(N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC 808126968 ZJTXVWWDTQUYGZ-SFHVURJKSA-N 428.363 4.089 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ncn(C(C)(C)C)n3)c2C)c1 812693954 KZOOEDBCGVNZMW-UHFFFAOYSA-N 426.542 4.202 10 20 IICD CCN1CCC(NC(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CC1 814771736 DEGKJCYGRKYEHG-WQRHYEAKSA-N 445.635 4.205 10 20 IICD COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccc(Cl)c(Cl)c3O)cn2)CC1 815654904 CEUYJVYZZRVDSB-LBPRGKRZSA-N 425.316 4.156 10 20 IICD O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2oc3ccccc3c2c1 917918218 MOZUTLKWAZIYHE-UHFFFAOYSA-N 440.496 4.040 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 919522009 ZXVGVERCAVAAGO-MRXNPFEDSA-N 428.920 4.282 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1cccc(F)c1 920090112 ZTTCGOCHNIPEKZ-RTBURBONSA-N 445.554 4.105 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC4CCC4)CCO3)C2)cc1 1781752709 RBHOWJHREHHVLO-HHHXNRCGSA-N 449.595 4.118 10 20 IICD Cc1ccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)nc2c1 11643467 PJSWYRKYQYEHMZ-FQEVSTJZSA-N 432.549 4.338 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(C(C)=O)cc3OC)c2C)cc1 14351403 IAQHGGRSAZDIIU-UHFFFAOYSA-N 435.476 4.354 10 20 IICD COC(=O)c1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1Br 470147555 PQFKHRCRGVADAQ-UHFFFAOYSA-N 430.302 4.358 10 20 IICD COc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc2c1O[C@@H](C)C2 726565100 AMWPJKHPHPZFFZ-AWEZNQCLSA-N 432.467 4.019 10 20 IICD C[C@@H]1CCCC[C@@H]1OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612461 ZZUDYGZWSSRJLO-UZLBHIALSA-N 425.520 4.151 10 20 IICD CCOc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726612684 DJHWDFYEBRLSIH-UHFFFAOYSA-N 449.498 4.164 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 726695628 RRSZRDKPBPLPDP-HSZRJFAPSA-N 425.529 4.044 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nc1-c1ccccc1 727244982 QGGJWLVAXJFYRR-UHFFFAOYSA-N 447.494 4.004 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2F)C[C@@H](C)O1 729496981 MUBOGXNGYPNGDT-MBOZVWFJSA-N 429.511 4.278 10 20 IICD CC(C)COc1ccc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 730174914 PSDQITUQIUBILC-RTBURBONSA-N 428.548 4.333 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 731058785 ALXBFOFKEULNSV-UHFFFAOYSA-N 449.985 4.333 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)N[C@H](c1ccccc1)c1nccs1 731845319 XMOPBKDZOJNHIQ-HSZRJFAPSA-N 433.533 4.350 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1 740812183 WMEKRIILMXXVAE-OWBHPGMISA-N 428.963 4.294 10 20 IICD O=C(N[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1)c1ccccc1 742476065 JAWPLDFVMFVGDT-RUZDIDTESA-N 427.548 4.464 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)cc1 742497409 IAPPZPMASFJMNN-IBGZPJMESA-N 437.613 4.413 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@H]1CCOc2ccccc21 743282017 ILXIDCROKNMHOJ-WSLMLHKMSA-N 438.509 4.131 10 20 IICD CC(=O)N[C@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 743428896 RFDXXKHEJCRMFJ-OAQYLSRUSA-N 428.435 4.060 10 20 IICD CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2s1 743918446 VVUAIOKLPAIPSL-UHFFFAOYSA-N 434.565 4.225 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c1 747755048 LYUJWKCKBKLKCO-LBPRGKRZSA-N 444.409 4.301 10 20 IICD C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)C1 749731207 LTSOYVJQEYEBTL-APWZRJJASA-N 447.626 4.476 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 750504130 MVBLOZVYGBMCNR-QGZVFWFLSA-N 442.947 4.211 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)CC2)cc1 751092528 XYYSCQJXOOIRRS-REWPJTCUSA-N 436.600 4.016 10 20 IICD COc1ccccc1NC(=O)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C 751937623 SKQJVLMCJTWRHG-OAQYLSRUSA-N 439.537 4.145 10 20 IICD O=C(CCC(=O)c1cc(Cl)sc1Cl)NCc1ccc(N2CCOCC2)cc1 755227661 WZMKVJOLUZAQOF-UHFFFAOYSA-N 427.353 4.171 10 20 IICD C[C@H](NCC[S@](=O)C(C)(C)C)c1cc(Br)cc(Br)c1O 756590617 OKXRBIRXQJPYLV-LXGOIASLSA-N 427.202 4.115 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 757549434 AETUFQKDTFCUJS-UHFFFAOYSA-N 426.878 4.190 10 20 IICD C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 758543743 IQEQYPQVNOXCKQ-MMOPVJDHSA-N 430.499 4.445 10 20 IICD O=C(NCCCSc1nccs1)Nc1cc(Br)ccc1-n1cccn1 758601790 HMBNSVHUFBUEIV-UHFFFAOYSA-N 438.376 4.395 10 20 IICD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 758738152 BHQXYOGGXZRGKL-IIBYNOLFSA-N 433.499 4.068 10 20 IICD COc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759221267 NMIDRPUAKIKHMH-PKTZIBPZSA-N 446.547 4.318 10 20 IICD O=C(Nc1ccccc1O[C@@H]1CCOC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 760067883 XRKDADTWECQJOP-LJQANCHMSA-N 447.482 4.246 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)n1 760092528 QBPSHEKNSGSNTC-RVDMUPIBSA-N 433.580 4.080 10 20 IICD CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 760659614 ZSKSLDXCLQTQSF-CYBMUJFWSA-N 427.389 4.072 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1 762734962 NXJHDEVOBFTCKI-YTFSRNRJSA-N 429.605 4.181 10 20 IICD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(Br)cc(OC)c1O 769452529 VQOQHRKHVCDWQL-QGZVFWFLSA-N 449.345 4.083 10 20 IICD CCOC(=O)c1csc(=O)n1CC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 771750258 NOZAFVVAJBOLMS-UHFFFAOYSA-N 436.892 4.169 10 20 IICD Cc1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(Cl)c1 772740886 HEPPXHCVHCGUHL-OAQYLSRUSA-N 426.948 4.067 10 20 IICD CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 773103786 LBQFZUVYGJSXAJ-BFMBIBTESA-N 437.563 4.281 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 773759969 CIYPOADTRHZOHI-ORAYPTAESA-N 434.920 4.064 10 20 IICD CC(=O)Nc1sc(NCc2ccc(N3CCOCC3)c(F)c2)nc1-c1ccccc1 774106830 QZFLSKOQARLDCP-UHFFFAOYSA-N 426.517 4.356 10 20 IICD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)NCCCSc3nccs3)cc2C1 774132956 QNARQNHGFISHJX-UHFFFAOYSA-N 449.602 4.135 10 20 IICD CCOC(=O)[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 781204998 ZTQSIFHFAQAYJT-VGSWGCGISA-N 438.528 4.256 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccnc4c(Br)cccc34)cc2)CC1 786065502 CDLCXXRRTNFFIJ-UHFFFAOYSA-N 439.357 4.278 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SC[C@H]1CCS(=O)(=O)C1 788492333 FOZIYWGKUWAETK-CQSZACIVSA-N 443.432 4.495 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 798088215 JXTKFYOIXCHPAU-YWZLYKJASA-N 428.520 4.344 10 20 IICD CC(C)Oc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636790 NMHKECBJUZOQQX-INIZCTEOSA-N 444.963 4.013 10 20 IICD COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)CC2 800719964 PTTWLNOZQQFTRT-FUHWJXTLSA-N 433.980 4.061 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(Cc2ccc3ccccc3c2)n1C 800727559 YLTUGCBGWFHPIL-UHFFFAOYSA-N 427.552 4.032 10 20 IICD CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)CC1 802673686 CKLOJJUSMAEWFM-UHFFFAOYSA-N 448.615 4.456 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 809196770 XFTKPYOXYCOEOE-IFMALSPDSA-N 425.548 4.081 10 20 IICD Cc1cc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C)c(C)n1-c1ccccc1 809860213 ZZDLPZAXVNDKMU-JOCHJYFZSA-N 447.505 4.419 10 20 IICD C[C@@H](C(=O)N[C@H](C)c1cccc2ccccc12)N(C)Cc1ccc(N2CCOCC2)cc1 857758796 SETPFRMAYHBLNY-RTWAWAEBSA-N 431.580 4.374 10 20 IICD CN(C)c1ccc(CN(C(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)C2CC2)cc1 914440373 YJXZDHRHEGZZCC-UHFFFAOYSA-N 436.581 4.075 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 915984069 HBTIQEUBFKCFLU-AQTBWJFISA-N 428.535 4.012 10 20 IICD CCN(CC)CCn1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nc2ccccc21 916160187 OVLAHROMTISNRH-UHFFFAOYSA-N 430.556 4.433 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCCn1cncn1 916376083 AOSXXWKRRDLGLG-IBGZPJMESA-N 446.477 4.163 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(Cc1cccs1)C1CC1 916632178 QADUGKQPANHSJR-UHFFFAOYSA-N 439.503 4.478 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H](C)c3cccc(Cl)c3)cc2F)C[C@@H](C)O1 917066904 XFEFRNPGDDXVDL-KSZLIROESA-N 447.982 4.402 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(Br)cc3)cc2F)C[C@H](C)O1 917713442 QVGUQTWNCSEABV-GJZGRUSLSA-N 435.337 4.061 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1C 917845085 NZEIPNBEXOGUPH-UHFFFAOYSA-N 434.539 4.254 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@H]1c1cccnc1 917966438 KZDPJSUAOAAEEQ-NAVNFMRLSA-N 443.619 4.488 10 20 IICD COc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 921281024 QUBHBGKRPKUHCR-UHFFFAOYSA-N 428.838 4.134 10 20 IICD CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(F)c1 1319091079 UQRSSPKEUAOASM-SIKLNZKXSA-N 440.563 4.114 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1843939001 NSPJUUZASAQFRP-KBAYOESNSA-N 446.975 4.175 10 20 IICD Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)s2)o1 71939559 SYHRAHITBBPFPY-UHFFFAOYSA-N 429.517 4.050 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4Cl)c3)cc2F)C[C@@H](C)O1 109559895 LPXQUIXTSSHQAS-HZPDHXFCSA-N 442.922 4.208 10 20 IICD Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 226942542 YQFKLRAYIIYCAY-YESZJQIVSA-N 434.939 4.485 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(-n3cccn3)ccn2)cc1 303752281 IGMQEWLOUMAZRO-UHFFFAOYSA-N 427.508 4.189 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1ccccc1Br 727740197 VXYASSLQXLTNKL-UHFFFAOYSA-N 446.389 4.187 10 20 IICD CCc1c(C(=O)COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[nH]c(C)c1C(C)=O 728640716 YJCOESUHDKQCAG-UHFFFAOYSA-N 438.524 4.346 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NC1(c2cccc(Br)c2)CCC1 728750559 LYIUWGCICZQMGN-UHFFFAOYSA-N 444.373 4.164 10 20 IICD O=C(CCc1cc(Br)cs1)NCc1ccc(N2CCSCC2)cc1 730529757 PMGYJOIKZCMOHQ-UHFFFAOYSA-N 425.417 4.313 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1cccc2cnccc12 731164458 COSYYPFKVYRVOK-UHFFFAOYSA-N 428.540 4.241 10 20 IICD COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1 731843553 QFGGQTZLWHHAPJ-KRWDZBQOSA-N 433.508 4.112 10 20 IICD CC1CCN(c2cccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)CC1 740460104 YXYNFOHPOLLDEM-UHFFFAOYSA-N 426.536 4.220 10 20 IICD CSc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742755046 UVVCUTOCZRKBRP-HXUWFJFHSA-N 429.586 4.470 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(N2CCCC2=O)cc1 743080206 UQRXMIMPURJZMR-UHFFFAOYSA-N 432.318 4.336 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 743807627 JVOYPCGKIIJGEG-IBGZPJMESA-N 433.346 4.079 10 20 IICD CCSc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743976092 ZUSRGVVWZCXCSS-MRXNPFEDSA-N 449.523 4.124 10 20 IICD O=C(NCc1cccc(N2CC=CC2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903957 KJWGZZFWLPYPNK-IBGZPJMESA-N 442.510 4.132 10 20 IICD CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 748628419 VWBBNIFYYRRKSU-MOPGFXCFSA-N 425.520 4.102 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(C(=O)Nc2ccccc2)cc1 750307582 GNZRJLPMXKQGKX-UHFFFAOYSA-N 448.498 4.236 10 20 IICD COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c1 751318722 OYJSSEIKGGAUTD-ZDUSSCGKSA-N 437.464 4.237 10 20 IICD Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 752386419 BHKVLOPEVVIKMP-UHFFFAOYSA-N 438.380 4.110 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 756060474 BFEUZGSYOHYADW-HSZRJFAPSA-N 437.609 4.008 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 756619838 ZVPHPPHRMHTKGQ-QMHKHESXSA-N 439.533 4.023 10 20 IICD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 772764245 BREJPLWTRVSURT-MURVUTHMSA-N 433.460 4.351 10 20 IICD CCCCn1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)n1 773721540 JUFYLXCKQQRVFK-UHFFFAOYSA-N 435.519 4.061 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1)c1ccc(N(C)C)cc1 773847642 RSSJVUHGQIXBHL-KRWDZBQOSA-N 435.499 4.287 10 20 IICD Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@H](C)c4ccc(N(C)C)cc4)cc3)nc12 773857555 MHOMPZOEFFDNDT-GOSISDBHSA-N 441.535 4.192 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c1 775370735 PVGGFNXJGNBFOK-JTSKRJEESA-N 433.508 4.331 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 777265263 UWQGXTMKZFDOGE-DEOSSOPVSA-N 432.455 4.300 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 779475446 NAONSBLFWKOXPS-ZOTQCUMXSA-N 431.488 4.303 10 20 IICD O=[N+]([O-])c1cc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)ccc1N1CCCCC1 779615449 GQGOBIGTKQNQIF-QFIPXVFZSA-N 449.511 4.209 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(OC)c(F)c2C)n1 782927737 XOQWTUFKVVPTRA-UHFFFAOYSA-N 426.466 4.215 10 20 IICD CC(C)[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1 788957458 LUCSPAUUPDWSTP-YADHBBJMSA-N 447.526 4.314 10 20 IICD COCC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)c(Cl)c1 792923611 DTBRGAKFGGQOIY-NRFANRHFSA-N 438.399 4.385 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)c(O)c1 797389378 DPEQSSKHUWKCDU-UHFFFAOYSA-N 440.883 4.410 10 20 IICD CSc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 799182958 VIOMMVGRNFDWFN-KURKYZTESA-N 445.604 4.128 10 20 IICD COCc1nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)s1 799531551 SISIOPHZLJJIMS-UHFFFAOYSA-N 437.565 4.065 10 20 IICD CCc1ccc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 806457472 MUVKDEMGSPEPPT-JOCHJYFZSA-N 439.575 4.438 10 20 IICD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807675695 ZWPDRQZMBULOLZ-XMSQKQJNSA-N 425.573 4.232 10 20 IICD CCC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(F)cc1F 808920655 KMTPBDJDBORIRS-JOCHJYFZSA-N 429.511 4.179 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCc2occc2C1 809390576 DVQJBVDVMYTFLD-SFQUDFHCSA-N 432.592 4.298 10 20 IICD O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473035 RSKIWAFHBCODOX-SFHVURJKSA-N 426.866 4.388 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCc1ccccc1 914084102 QZYRDKAYZAPUID-SDXDJHTJSA-N 430.620 4.479 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(NC(=O)c2ccco2)c1 919897327 SEHOOQQYEJESBX-UHFFFAOYSA-N 444.535 4.316 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccc(OC)c(OC)c1 921061786 LRAOBGHWWNENQO-UHFFFAOYSA-N 439.434 4.146 10 20 IICD COC(=O)CN(Cc1csc(-c2ccc(O)c(OC)c2)n1)Cc1cc(Cl)ccc1O 1319606254 HUVBFZYNROAEDA-UHFFFAOYSA-N 448.928 4.059 10 20 IICD COc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnn1-c1ccccc1 1320625989 QBTMKAWCGRNHDT-UHFFFAOYSA-N 432.446 4.152 10 20 IICD O=C(NCc1ccc(Br)o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1321604811 NXYIBBXPOZXQGC-UHFFFAOYSA-N 444.276 4.112 10 20 IICD COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1C 1322007584 CSTJUMIOPUSXTA-STZFKDTASA-N 441.622 4.398 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C)CCCC2)CCO3)cc1 1781752448 ORODJQUNAMZOJF-MHZLTWQESA-N 449.595 4.118 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccncc2)cc1 1795019003 OZDYOSHDHCTRLT-VILGAWFOSA-N 428.536 4.055 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2ccsc2)C3)cc1 1845398494 TWCFINVEAWNJBK-UHFFFAOYSA-N 433.577 4.215 10 20 IICD COc1ccc(OC)c([C@H](C)NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 16386792 DLHSZDDWVWYFSY-IBGZPJMESA-N 425.573 4.003 10 20 IICD CC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n(C)c1 16540467 MICLMMREYUZXAB-UHFFFAOYSA-N 444.434 4.276 10 20 IICD C[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 20993012 RORQBEJJZMCNSE-MARXPDLDSA-N 431.469 4.107 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 40888760 CNHOMXFJOCVEQU-RGEXLXHISA-N 427.547 4.420 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)n1-c1ccc(F)cc1 216566664 GGILSIUIHULTFO-UHFFFAOYSA-N 435.499 4.430 10 20 IICD COc1ccccc1[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)N1CCCCC1 302999703 UKSBBUDFDAMUGR-HSZRJFAPSA-N 432.568 4.455 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)CC2)cc1 726695169 GLPJUWQQLORRLO-UHFFFAOYSA-N 442.947 4.031 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(CN4CCCCC4)cc3)CC2)cc1 726703354 VWPBQIKECQULNS-UHFFFAOYSA-N 436.600 4.149 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C(F)(F)F)c1 726710952 AHVIBDKFHCOCNA-GOSISDBHSA-N 438.446 4.310 10 20 IICD COc1cccc(CNC(=O)c2csc(-c3cc(Br)cs3)n2)c1O 727763593 LAVVNIWWWVPPAB-UHFFFAOYSA-N 425.329 4.278 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(Br)c1 731131794 MDWFODNPHPVJMV-UHFFFAOYSA-N 444.373 4.249 10 20 IICD C=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 732115387 YXCIZMGNFLCFBL-UHFFFAOYSA-N 443.547 4.410 10 20 IICD CCc1nc([C@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 732228451 NBSILNJPMCNQMR-KBPBESRZSA-N 433.533 4.159 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 741078061 SFXDFGSSQQLDLO-JOCHJYFZSA-N 442.966 4.492 10 20 IICD C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1ccc2c(c1)CCCN2C 741678996 FFYOMWXRGYNRTJ-HNNXBMFYSA-N 429.358 4.357 10 20 IICD COc1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc(OC)c1O 743413635 IRMTXVREXOIOCZ-UHFFFAOYSA-N 434.452 4.080 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)c(OC(F)F)c1 743808476 YBQANTMYFJDZTB-UHFFFAOYSA-N 430.245 4.427 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 748740441 AQVCBLKFBQJMHK-UHFFFAOYSA-N 439.556 4.212 10 20 IICD CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 748959846 LXYHLPBYHQKYBT-AEFFLSMTSA-N 445.551 4.406 10 20 IICD C[C@H](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 749835630 NFAHVFBHAHNKFJ-OAHLLOKOSA-N 428.444 4.294 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)c2C)c1 750521260 YSVSLTGVKULWRC-LJQANCHMSA-N 447.543 4.396 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1F 753740181 PAMAQPZHZSMAGJ-UHFFFAOYSA-N 442.494 4.407 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(Br)c1 754832645 INFNFOFCBSSOEC-GASCZTMLSA-N 435.337 4.440 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(Br)c1 755987055 XSLUJKIIQNQFQO-UHFFFAOYSA-N 442.331 4.174 10 20 IICD C[C@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cc(Br)c(F)cc1O 756845026 OBUUAPRRZZEVBY-ZDUSSCGKSA-N 437.357 4.392 10 20 IICD O=C1N[C@@H](Cc2cccc3ccccc23)C(=O)N1Cc1ccc(N2CCSCC2)cc1 761097384 HZRHAKAQQWWUFN-QHCPKHFHSA-N 431.561 4.056 10 20 IICD CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1 765100966 BOLSJFGIZBDAOP-OAHLLOKOSA-N 426.529 4.389 10 20 IICD CC(C)OC(=O)NCc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765292020 BAWKIEZXBMBPSW-UHFFFAOYSA-N 436.306 4.111 10 20 IICD COc1cc(Br)cc(CN(Cc2nc(O)c3ccccc3n2)C(C)C)c1O 768423105 VDZSEXKRBPXGDW-UHFFFAOYSA-N 432.318 4.223 10 20 IICD Oc1c(Br)cccc1CN1CCO[C@@H](c2cccc(Br)c2)C1 769154767 UGJJFURBBCKRIH-MRXNPFEDSA-N 427.136 4.491 10 20 IICD C[C@H](NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)c1ccc(N2CCOCC2)cc1 772670600 BMFOMUJGEIFWEZ-HNNXBMFYSA-N 441.482 4.085 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 775368596 BMAITHZGNRLARO-KBXCAEBGSA-N 425.510 4.084 10 20 IICD CNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)c1 779168815 ZFSMIVMETCFQBS-UHFFFAOYSA-N 426.314 4.469 10 20 IICD COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cccc(Cl)c3O)c2C)c1 779612934 KYKFBEQHHDJLNR-OAQYLSRUSA-N 427.932 4.430 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 780775392 OBFOZOXLTMJKKD-UHFFFAOYSA-N 438.572 4.345 10 20 IICD O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)C1 781527453 OAZLMJQITHZLHA-JOCHJYFZSA-N 448.629 4.038 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 782424079 XQQBZWDXDPFRGU-UHFFFAOYSA-N 449.507 4.020 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783482572 IGJORVGSZDEJNI-QGZVFWFLSA-N 430.508 4.269 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2cncnc2)c(C)n1-c1ccc(OC(F)F)cc1 796174937 JJJQQLJPXDJBPJ-MRXNPFEDSA-N 443.450 4.233 10 20 IICD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 799248142 QSTGCSXJVVNVCB-UHFFFAOYSA-N 439.947 4.335 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4cnn(C)c4)nn3)cc2Cl)C1 800565601 PWISBJBJDPPIIE-HNNXBMFYSA-N 439.951 4.089 10 20 IICD CCCCCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1 800727397 HPFJFGYOYZLIFI-UHFFFAOYSA-N 448.615 4.412 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 801623671 USJSXYWEJLMYRI-UHFFFAOYSA-N 441.597 4.344 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 801643591 UMLFRDPVGCEDNN-UHFFFAOYSA-N 425.529 4.007 10 20 IICD C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 804784567 PMCZUOUYKYANBR-DNVCBOLYSA-N 442.562 4.478 10 20 IICD CN(c1ccc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cc1)C1CCCCC1 806615644 RZSAGXGXORZCNV-OAQYLSRUSA-N 427.511 4.444 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1 806805519 APTYHCSBJXFQNO-UHFFFAOYSA-N 427.524 4.256 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)/C(=C\c1ccco1)NC(=O)c1ccccc1 813684191 MDHKXRXHABIOTO-WOJGMQOQSA-N 431.275 4.379 10 20 IICD C[C@@H](NC(=N)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 849069510 OYBWYCASYRJQKM-ZBFHGGJFSA-N 448.398 4.070 10 20 IICD Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 857473246 VCUZFGNEGSBEIZ-AWEZNQCLSA-N 430.904 4.411 10 20 IICD COc1ccccc1CN(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914333604 JGHKVJRAEDZWJJ-QGOAFFKASA-N 446.619 4.397 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(F)cc1C(F)(F)F 916371345 BYIUHEHTSVPSEV-UHFFFAOYSA-N 427.467 4.397 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 917697656 GRLVZLPZQMVNAS-UHFFFAOYSA-N 435.977 4.221 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)cc2F)C[C@@H](C)O1 918223128 YAJZBSNDKWWGJE-QZTJIDSGSA-N 441.547 4.234 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c(C)n1-c1cccc(Cl)c1 919985996 ZAEWHMCRJBSURH-UHFFFAOYSA-N 443.960 4.090 10 20 IICD CCOc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(F)F 920872676 WLXMSMXRRJRKEW-INIZCTEOSA-N 449.498 4.084 10 20 IICD CCc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)cc1 1319914288 DXWDWNYGVHSQSE-UHFFFAOYSA-N 439.556 4.403 10 20 IICD CCOCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccc1O 1330054890 KDHZZPHNAWJXAP-UHFFFAOYSA-N 445.361 4.476 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cccc2ccoc12 1800718098 FMPPPTMZEFKKQX-MUJYYYPQSA-N 440.883 4.063 10 20 IICD COc1ccc(-c2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1OC 15571762 XSBHRQNCMQTSJW-UHFFFAOYSA-N 439.581 4.296 10 20 IICD COc1ccc(N2CCN(CCNC(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 56997626 NHFMDNKSJZZWJD-UHFFFAOYSA-N 443.591 4.156 10 20 IICD O=C(NCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)OCC(F)(F)F 78769053 VHLBIXHMWZKMLR-HNNXBMFYSA-N 429.464 4.110 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl 542925309 RTQMTLBIKCVECM-UHFFFAOYSA-N 430.936 4.319 10 20 IICD COc1cccc(C2(c3noc(-c4ccc(NC(=O)C5=S=CC=C5)c(C)c4)n3)CC2)c1 581098135 PXPBZSONIVEJRK-UHFFFAOYSA-N 431.517 4.350 10 20 IICD O=C1/C(=C\c2cc(Br)c3c(c2)OCO3)SC(=S)N1CCc1ccccn1 726196956 HVSJKXZGJVSGHD-OQLLNIDSSA-N 449.351 4.017 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cc2C[C@H]1C 727250154 IGUUZJGJKDTIEL-GFCCVEGCSA-N 431.514 4.048 10 20 IICD COc1cccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O 729859391 NBKWHRCMGQYIOS-UHFFFAOYSA-N 446.532 4.057 10 20 IICD O=C(C[C@H]1CCc2ccccc2C1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 732538649 CXBWGSJGEQBZNX-KRWDZBQOSA-N 432.486 4.353 10 20 IICD Cc1noc(C)c1[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 733764772 PFIDPKDFLHQYDD-HGLKBHAMSA-N 435.596 4.212 10 20 IICD COc1nn(C)c2nc(C)c(CCC(=O)N(Cc3ccco3)Cc3ccccc3O)c(C)c12 735930780 PMDZTXGWNWIUDQ-UHFFFAOYSA-N 448.523 4.054 10 20 IICD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCCSc1nccs1 741694111 WQXBFIHEVGJMSN-GFCCVEGCSA-N 427.389 4.413 10 20 IICD Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799745 NASKIISLOOBICG-OAHLLOKOSA-N 431.439 4.172 10 20 IICD COCCOC[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 744417691 WPFNTYBHMGQJCR-SFHVURJKSA-N 438.490 4.281 10 20 IICD CCOc1ccc(NC(=O)CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 745780251 VZMWIPPDKNMQJS-UHFFFAOYSA-N 425.529 4.274 10 20 IICD Cc1ccc([C@@H](NC(=O)N(C)Cc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 745908741 OUWSBWOBFIOGAI-HSZRJFAPSA-N 438.549 4.035 10 20 IICD O=C(NCCc1nc(C(F)(F)F)cs1)N(Cc1ccco1)Cc1ccccc1O 745920937 SCQFBFJCFMUVRE-UHFFFAOYSA-N 425.432 4.415 10 20 IICD Cc1cc(CC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)c(C)n1-c1ccc(Cl)cc1 747146924 UUMQBSNDIRCALV-XPWALMASSA-N 429.992 4.000 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1F 747855712 AEWWBYXRGOFPCM-UHFFFAOYSA-N 426.878 4.190 10 20 IICD C[C@@H](c1ccccc1)N(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1O 750617823 WTONAMZNHGGROX-QFIPXVFZSA-N 444.579 4.089 10 20 IICD CC[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(Cl)cc1 751930625 IKTZTUISBJNITI-GOSISDBHSA-N 443.956 4.394 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(CN2CCCCC2=O)cc1 754541493 OKXRIVNDEXCSSC-UHFFFAOYSA-N 438.483 4.227 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2cc3c(cc2Br)OCCO3)c1 756480804 ZTGOAURQTQGWCD-VXGBXAGGSA-N 436.302 4.124 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(Br)c(F)cc3F)CC2)cc1 757855256 MNQPMWBYFMUOFJ-UHFFFAOYSA-N 425.273 4.088 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)OC)cc3)SC2=S)cc1 758414463 ACXKFKHAJJTBND-RMENWYJGSA-N 443.546 4.431 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 760311607 SEZRHFKAYWHECY-UHFFFAOYSA-N 442.971 4.058 10 20 IICD Cc1nc(-c2ccccc2)ncc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 765342466 FMHJYRLVRFVYST-QHCPKHFHSA-N 430.552 4.339 10 20 IICD COc1cc(C(=O)NCc2cccc(Br)c2O)ccc1OCc1cscn1 765747148 MLCJXQFKPRBWIW-UHFFFAOYSA-N 449.326 4.129 10 20 IICD CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 767975350 FGAYUQRWCCCEGJ-OAQYLSRUSA-N 440.540 4.342 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1-c1ccc(F)cc1 768914988 HNIRMLNQAVSJJU-IBGZPJMESA-N 442.922 4.073 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CCCc3ccccc3)cc2)C1 769037336 LWVFGOQLTKTPPJ-ZCYQVOJMSA-N 448.611 4.085 10 20 IICD Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769310241 AQMZCIJBYNHGJX-DHIUTWEWSA-N 429.992 4.245 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cc1 772695796 AOATUSYWEVCPFU-UHFFFAOYSA-N 449.536 4.018 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 773759968 CIYPOADTRHZOHI-DJJJIMSYSA-N 434.920 4.064 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 774126990 QFBUYRVODLUWCD-UHFFFAOYSA-N 431.536 4.319 10 20 IICD C[C@H](NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)cc(F)c1O 774397225 RKEWISDGRYEASL-ONGXEEELSA-N 436.243 4.213 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc(S(N)(=O)=O)c1C 777823784 XJYFEOJACBEJRB-SFHVURJKSA-N 438.549 4.060 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 778092639 XFQQEDXHUWCRGI-HNNXBMFYSA-N 447.461 4.309 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 779147838 NLCYEADNTINCKP-UHFFFAOYSA-N 444.501 4.419 10 20 IICD Cc1nc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)sc1C(=O)O 779440538 ACJWISVOBZASMD-UHFFFAOYSA-N 448.342 4.250 10 20 IICD CCC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783483528 ZOEZYEJYUWTUHB-KRWDZBQOSA-N 430.508 4.350 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cc4c(ccc5ccccc54)o3)cc2)CC1 786257512 QDMVUEUIOWYWRD-UHFFFAOYSA-N 441.531 4.113 10 20 IICD C[C@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1ccc(N2CCOCC2)cc1 787064295 LNPWLTZHHIWXHH-INIZCTEOSA-N 440.544 4.346 10 20 IICD C[C@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1O 788735800 RMMCSJUOOOUKPZ-LBPRGKRZSA-N 425.432 4.173 10 20 IICD O=C(Nc1nc2c(s1)CCCCCC2)C(=O)N(Cc1ccco1)Cc1ccccc1O 789369684 ANTOVTKMEKFUNP-UHFFFAOYSA-N 439.537 4.268 10 20 IICD COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC 790477572 GEXZGDRKNXOEGG-UHFFFAOYSA-N 440.930 4.290 10 20 IICD CCOC(=O)[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(OC)c(F)c1 793098770 MJYZRAQGSOCVBF-LJQANCHMSA-N 428.426 4.313 10 20 IICD C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794799024 XVMNXTWOZZKFKO-CYBMUJFWSA-N 428.385 4.092 10 20 IICD CCOCc1cc(CNCc2ccc(I)c(C)c2)ccc1OC 798497859 GJVSLXSUJRXTHF-UHFFFAOYSA-N 425.310 4.435 10 20 IICD Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 799187121 NGYAHPDWTVMSST-UHFFFAOYSA-N 431.514 4.252 10 20 IICD C[C@@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 800594501 YWGCBPSEJCYXNR-LJQANCHMSA-N 432.524 4.380 10 20 IICD CCCc1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 800637467 ZIBHJXJAMLTMAI-CQSZACIVSA-N 434.993 4.240 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 801548857 TZOUKYBMVPTMSW-UHFFFAOYSA-N 443.503 4.026 10 20 IICD CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)C1 802680294 WLOOZEXRYQWOHQ-QFIPXVFZSA-N 448.615 4.361 10 20 IICD CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 804852277 FWUAYBBKMRSIOS-UHFFFAOYSA-N 425.957 4.052 10 20 IICD CC(C)(C)CCOc1cnccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 806673292 DAIMXOFPGUJPFC-UHFFFAOYSA-N 431.920 4.220 10 20 IICD CN1CCC(Oc2ccc(CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 807256523 XKEJINFEDBQEIM-UHFFFAOYSA-N 436.600 4.100 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 810307206 WTKRHMMIFPECMD-UHFFFAOYSA-N 446.498 4.084 10 20 IICD Cn1cc(C(=O)N2CCc3ccccc32)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 814361534 ZIMOWICBKSXYKU-OAQYLSRUSA-N 444.535 4.139 10 20 IICD C[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1O 815593654 SUHZQGUJDBNNCG-OAHLLOKOSA-N 442.503 4.056 10 20 IICD CCCC1(CNCc2ccc(N3CCOCC3)cc2)CCN(C(=O)OC(C)(C)C)CC1 822451298 ICPKFJMHMDXFQM-UHFFFAOYSA-N 431.621 4.430 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc21 917869495 WKCMWJANKDKPBJ-UHFFFAOYSA-N 428.447 4.134 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)cc2)C1 918670915 CWGPDCSJSUAKBS-CQSZACIVSA-N 445.350 4.106 10 20 IICD CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 919076147 DSILUROJFBDHMW-HSZRJFAPSA-N 447.535 4.408 10 20 IICD CCCOc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 920180688 UJEIQFNUGKVHNB-UHFFFAOYSA-N 435.547 4.021 10 20 IICD CCCn1nc(-c2nnc(-c3cc(C)n(-c4ccccn4)c3C)o2)c2ccccc2c1=O 1341460013 LKXVQZLDLMARON-UHFFFAOYSA-N 426.480 4.326 10 20 IICD CCNc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1 18663301 WGPHQJVOELWWTN-UHFFFAOYSA-N 430.555 4.124 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1nc(-c2ccc(F)cc2)cs1 96971005 SACVJJVOBXZBDL-IBGZPJMESA-N 441.528 4.275 10 20 IICD CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCc2c(C)c3ccccc3n2C)n1 472243599 VFFKVYJEBKMIMA-GOSISDBHSA-N 426.542 4.167 10 20 IICD O=C(Nc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1)C1=S=CC=C1 559253594 HFRZYAYTQFOWHJ-UHFFFAOYSA-N 440.431 4.143 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1-c1ccccc1 727245760 MQOFAUVROBKCIL-UHFFFAOYSA-N 447.494 4.004 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 729037797 REHSKEJJBYHRLF-BBWFWOEESA-N 425.529 4.402 10 20 IICD COc1ccc2oc([C@H](C)NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)c2c1 730133303 PBLAJFBTLQYWDI-SFHVURJKSA-N 437.540 4.489 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c(C)c2)n1 737134167 JSTQPFCAQNOCJD-UHFFFAOYSA-N 427.551 4.214 10 20 IICD CC[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccncc1 741584945 HCRWCOAVJTXIBL-YKBBIGDRSA-N 431.608 4.392 10 20 IICD Cc1cc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(C)n1-c1ccccn1 741703128 KWVWCKIDNJCCLF-QGZVFWFLSA-N 436.943 4.365 10 20 IICD O=C(NC1CC1)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 743486072 XOYOLFNKAQVPEO-GHTZIAJQSA-N 433.474 4.005 10 20 IICD Cc1cccc([C@@H]2CCCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 743864239 XMUGDEKLTGSOTH-DEOSSOPVSA-N 439.575 4.123 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 743957848 DAPQGWWQCCWADR-UHFFFAOYSA-N 426.822 4.198 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 744372304 DCORORGCDBVKGJ-CYBMUJFWSA-N 425.819 4.248 10 20 IICD Cc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)s2)c(C)c1 747122465 MZHVGJIDHIHVGU-UHFFFAOYSA-N 425.529 4.333 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 747475688 HNDMNVVHHYSNPQ-UHFFFAOYSA-N 445.519 4.125 10 20 IICD C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680507 HLAPNYCQPHNSCW-IIDMSEBBSA-N 439.528 4.130 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1Br 755986457 SNMKTFRMYRPINR-UHFFFAOYSA-N 428.304 4.086 10 20 IICD C[C@@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)c(F)cc1O 756735453 CVZVXDCPOGFYHQ-KUHUBIRLSA-N 435.337 4.178 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@H](C)c2nnc(C)s2)sc(C)c1-c1ccccc1 759885498 ILQOBNOLIPVGSX-GFCCVEGCSA-N 444.582 4.349 10 20 IICD Cn1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cc1ccccc1 770379613 SAFCFEZLIDWUTF-UHFFFAOYSA-N 440.494 4.011 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]3C)ccc21 772191603 PNAQQJHAVDEULT-JXFKEZNVSA-N 443.588 4.422 10 20 IICD Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nnn1-c1ccc(-c2ccccc2)cc1 773762105 KEIUSXVRLLIULH-MRXNPFEDSA-N 428.492 4.015 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)c1 773849245 YDMHOWSTLSFMNZ-LJQANCHMSA-N 431.536 4.456 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 773993821 OHQYSFWWLMLTBQ-UHFFFAOYSA-N 438.513 4.497 10 20 IICD CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)c(Cl)c1O 775507528 MSVYPVMJQDVEDJ-GOSISDBHSA-N 443.396 4.175 10 20 IICD CC[C@H](NC[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Br)ccc1O 775511239 CTPZKWUYFWEADX-YWZLYKJASA-N 438.362 4.064 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1 783315643 FHGMSUGMWQEWBW-UHFFFAOYSA-N 432.524 4.316 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1Cc1ccccc1)c1ccc(N)cc1 783487675 YIMJGVIMNCQUIU-IBGZPJMESA-N 439.519 4.247 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 784029124 YEMPUUYHTHEAEJ-UHFFFAOYSA-N 443.956 4.470 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cc(C(C)C)nn3-c3ncccn3)cc2)CC1 789253490 SKFXJURMYZIYHE-UHFFFAOYSA-N 433.560 4.344 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 789264508 IFEKXXOYFKKXJT-UHFFFAOYSA-N 435.576 4.468 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1SCCc2sccc21 791249307 DRHYEDJTEUDRCO-OAQYLSRUSA-N 432.611 4.467 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(I)c(C)c1 798474634 HCSZWTGOEJJPKA-UHFFFAOYSA-N 438.309 4.427 10 20 IICD CC(=O)N1C[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)Oc2ccccc21 800048565 FGJPORAYJAVPIB-WAIKUNEKSA-N 441.959 4.007 10 20 IICD CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801989568 CYOLGQYUZJSCPB-GOSISDBHSA-N 439.535 4.050 10 20 IICD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 802570512 RGUWZZWKEOIZHT-UHFFFAOYSA-N 435.446 4.414 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 802610456 ALXZAKYVSUHABA-FQEVSTJZSA-N 437.584 4.392 10 20 IICD O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 802839662 MFAHOXXFHAWYAZ-VXKWHMMOSA-N 444.522 4.057 10 20 IICD Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 805135659 WOQFPEMKRHBUQX-HXUWFJFHSA-N 433.552 4.369 10 20 IICD C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O 806660941 SEFFEPNJMHXUAO-CHWSQXEVSA-N 441.753 4.469 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H]3c4ccccc4CC34CCOCC4)CC2)cc1 811955623 ZVBRQBHCZFGJRE-DEOSSOPVSA-N 435.568 4.011 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(=O)C(C)C)CC1 812039207 LLOURSGTYWFZRU-UHFFFAOYSA-N 434.588 4.067 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccccn1 914613960 PUIYOWISCRSHSK-AWEZNQCLSA-N 442.859 4.235 10 20 IICD C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1 915752907 NUYUQUWCXDVDGV-HDICACEKSA-N 437.544 4.045 10 20 IICD Cc1ccc([C@@H](C)N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917059635 ARICQDJZMYVGTC-HSALFYBXSA-N 427.564 4.057 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918223337 ZSHUTQVIMIIDPO-PNCHPQGNSA-N 441.547 4.495 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 921244430 DDLXWFQZZGXZDE-UHFFFAOYSA-N 429.524 4.443 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc(C)cc4)n3C[C@@H]3CCOC3)CC2)cc1 1345101014 RQYBFPFQRILYDS-NRFANRHFSA-N 447.583 4.015 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCc2ccccc2C1 11644062 GEOWSTDLNGPBDT-QFIPXVFZSA-N 433.577 4.406 10 20 IICD Cc1nc(-c2ccccc2)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 195641030 DRLXPZALJPURSW-UHFFFAOYSA-N 425.529 4.149 10 20 IICD Cc1c(CNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)n(C)c2ccccc12 473277303 NTGIPTVQVNPQMU-UHFFFAOYSA-N 428.536 4.273 10 20 IICD COc1ccc(N2CCC(NC(=O)CSc3ncnc4sc(C)c(C)c34)CC2)cc1 726561970 BNASPVKJKCOLNB-UHFFFAOYSA-N 442.610 4.194 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 727170215 KIIVXRIQKLXVAJ-UHFFFAOYSA-N 425.554 4.251 10 20 IICD CCn1c(C)cc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1C 728312018 IDDYXTXELPJQRE-MOSHPQCFSA-N 428.579 4.340 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1F 731364623 UROXYBXFHYVXBL-UHFFFAOYSA-N 425.451 4.281 10 20 IICD COc1ccc(OC(F)F)c(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1 733000370 GFSYKRXXRMIVRW-DHDCSXOGSA-N 430.542 4.086 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 734651151 XQFXZEKKDMNZTN-UHFFFAOYSA-N 442.560 4.286 10 20 IICD O=C(Cc1ccc(OC(F)F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799955 OJKISBYFGRXENG-OAHLLOKOSA-N 426.410 4.217 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)cc2C)c(Br)cc1F 743192746 PJALHCCOCZXMRT-UHFFFAOYSA-N 438.297 4.071 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(CC(F)(F)F)c3)cc2F)CC1 743222632 YJYAYRATOMTXAD-UHFFFAOYSA-N 438.469 4.394 10 20 IICD Cc1nc(CN2CCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)cs1 743341851 SGMSJHHVQURYEZ-UHFFFAOYSA-N 441.645 4.248 10 20 IICD COc1ccc2c(c1)OCC[C@H]2NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 743650859 XTBSCFRTYJGYFD-HXUWFJFHSA-N 447.482 4.088 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)C[C@@H](C)O1 747544381 NKYYHTRTHNZZIB-DNVFCKCGSA-N 439.556 4.219 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(Oc2ccccc2)nc1 749420979 NRWOVZODAXJHTJ-UHFFFAOYSA-N 434.565 4.427 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc2cc(Cl)ccc2s1 751240428 LESAQWVETJMWKJ-UHFFFAOYSA-N 436.986 4.212 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2F)CC1 753087107 UNNURTQCHRUYPV-UHFFFAOYSA-N 440.350 4.178 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(OC(C)C)c(OC)c3)CC2)cc1F 753837880 HQPQBRQXXBVNLF-QGZVFWFLSA-N 445.535 4.223 10 20 IICD C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(Br)c1O 756500974 AEVBAFCHPHSFTA-SCZZXKLOSA-N 446.105 4.204 10 20 IICD C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1O 756597009 IWXXNVMBNYYRAL-ZDUSSCGKSA-N 429.433 4.292 10 20 IICD C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1nc2ccccc2n1C(F)F 764757460 LRFSCSHPQPSURD-SNVBAGLBSA-N 439.260 4.460 10 20 IICD CN1CCN(c2ccc(CNCc3cc(Br)ccc3OC(F)F)cc2)CC1 771832646 MQCIIFNMYDHDFB-UHFFFAOYSA-N 440.332 4.092 10 20 IICD C[C@@]1(c2cccc(Br)c2)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O 772124572 NWGODCVQCKAWGD-INIZCTEOSA-N 429.101 4.310 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl 773020829 WTLKGWYQTOEFSG-HNNXBMFYSA-N 429.977 4.265 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1 774340133 AUTLOOQASRIZNF-UHFFFAOYSA-N 436.560 4.434 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H](c1ccccc1)C(F)(F)F 776941898 BKHDJXILFODJNP-OAQYLSRUSA-N 435.490 4.041 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nc1-c1cccc2ccccc12 777693680 DEMGQNSHUARTCN-UHFFFAOYSA-N 449.557 4.358 10 20 IICD COCCN1C(=O)CCc2cc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc21 778213353 GJJXVMLJEGIFQW-UHFFFAOYSA-N 438.528 4.123 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 778392392 NVLVHKLPQMGTOW-KBXCAEBGSA-N 439.478 4.079 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)CC2)cc1 779480487 QMMGLHKMQLJSTJ-UHFFFAOYSA-N 443.910 4.087 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3cnn(Cc4ccc(F)cc4)c3)SC2=S)c1 780149167 XFANBWDTCTXBMC-LSCVHKIXSA-N 439.493 4.175 10 20 IICD CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 781118883 XUJWHXJMDLLLRM-UHFFFAOYSA-N 444.579 4.319 10 20 IICD Cc1ccc(-c2ncccc2NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 782403989 VPGPWIIIWNRKGD-UHFFFAOYSA-N 434.565 4.314 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 783316103 HVQIKHSWBHESAR-UHFFFAOYSA-N 425.426 4.286 10 20 IICD CCOc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC 783385514 JNSKEXJRMTWOQJ-UHFFFAOYSA-N 440.584 4.257 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cncc(Br)c1)c1ccc(N)cc1 783487072 UHDYPYFNDIRQIX-AWEZNQCLSA-N 439.313 4.159 10 20 IICD Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1CO 787583992 NKTMYAMHFVGFSU-WOJGMQOQSA-N 446.619 4.477 10 20 IICD CCc1nc(C2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)n[nH]1 792372627 XVGWXHPFGURRAI-UHFFFAOYSA-N 431.500 4.127 10 20 IICD Cc1ccc(N2C(=O)/C(=C\c3ncc(I)s3)SC2=S)cc1 794695078 KYGCTHKHIRFMSD-UXBLZVDNSA-N 444.344 4.462 10 20 IICD CO[C@@H](C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C)c1cnn(C)c1 798373998 YUUGEPCRXBAYBU-LJQANCHMSA-N 427.526 4.348 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccoc4)no3)cc2Cl)C1 800048881 JJTGWTUDZAWXFV-OAHLLOKOSA-N 428.920 4.468 10 20 IICD CCc1oc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1C(=O)OC 800793349 PQYPEMWBWDIHJF-CLXYIWAZSA-N 429.519 4.354 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(Cl)ccc3C(C)(C)C)CC2)cc1 802554562 HOTKCMRLTQDVOW-UHFFFAOYSA-N 443.975 4.370 10 20 IICD Cc1cnc(COCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)o1 803899820 NBTWGORJGYBUIO-UHFFFAOYSA-N 434.851 4.126 10 20 IICD COCCOC(=O)Nc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806231196 FFPQJFWJWJTJAS-UHFFFAOYSA-N 428.272 4.216 10 20 IICD Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1 808916048 KTXDKDPCERTGAM-UHFFFAOYSA-N 439.947 4.335 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 809144315 JXGSUHGCYAUVLV-QNGOZBTKSA-N 443.590 4.302 10 20 IICD Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c1C 812392461 NKVCJTIDCKOVAO-WOJBJXKFSA-N 436.556 4.413 10 20 IICD C[C@H](N[C@@H](C)c1ccc(Br)cc1OCCCO)c1cc([N+](=O)[O-])ccc1O 812740002 KGTCQQIYTUFKDS-STQMWFEESA-N 439.306 4.236 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc(OC)c1C 815590646 DIBIKODSFUVFOI-QGZVFWFLSA-N 433.508 4.327 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-n3cccn3)nc2)cc1 824539303 SHHBFQIJGCQPIE-UHFFFAOYSA-N 427.508 4.189 10 20 IICD COc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc(OC)c1 914070200 VMOSLPFYEPHYNI-ATVHPVEESA-N 448.591 4.385 10 20 IICD O=C(CCCc1ccc(Br)s1)NCc1ccc(N2CCOCC2)c(F)c1 917708925 NONQUXKNZPUKRE-UHFFFAOYSA-N 441.366 4.125 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)n1 917709209 FANXDYHZJYAJKL-KDURUIRLSA-N 436.531 4.172 10 20 IICD CC(=O)c1ccc(OCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917714393 VJPWGEYYVDBLMC-HDICACEKSA-N 442.531 4.117 10 20 IICD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918117337 CJSKDAIOFFLXHF-NRFANRHFSA-N 436.600 4.027 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 918234386 JGQOPGRQLKMJNN-UHFFFAOYSA-N 430.543 4.275 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C)c1 918671651 GUAMCHLDYAODTQ-QFIPXVFZSA-N 444.579 4.034 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(OCc2ccncc2)cc1 919895908 ZJWLYKWNMODLCX-UHFFFAOYSA-N 442.563 4.445 10 20 IICD CC(C)c1ccc(-c2ncc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)s2)cc1 920637005 UTOGKXQRFXOJDH-UHFFFAOYSA-N 446.550 4.368 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(C)c(Br)c(C)n3)CC2)cc1 1325790448 QYNYMRZPLDWZHN-UHFFFAOYSA-N 433.350 4.214 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)cc1 109885647 SMZWYUNOVMXSPD-UHFFFAOYSA-N 433.556 4.060 10 20 IICD Cc1cc(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)c(C)n1-c1ccc(C#N)cc1 303145148 DMWYFVDWNORYCQ-HXUWFJFHSA-N 442.563 4.117 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4ccccc4Br)C3)ccc21 726249450 GNBMHCCPLDXJGF-NRFANRHFSA-N 444.373 4.115 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3coc(-c4ccc(C)cc4)n3)CC2)cc1 726711850 JUVJFCQIXTXCQO-UHFFFAOYSA-N 434.540 4.169 10 20 IICD Cc1nc(CN2CCN(C(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)oc1C 730080505 MNFUWTVOZGLTFJ-UHFFFAOYSA-N 440.975 4.239 10 20 IICD COc1ccc(N2CCC(NC(=O)c3oc(COc4ccc(C=O)cc4)cc3C)CC2)cc1 731627079 MJOGSRLEESDITB-UHFFFAOYSA-N 448.519 4.387 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1F 732700116 FWWMUYJDCHWBDG-UHFFFAOYSA-N 447.576 4.461 10 20 IICD O=C(NCCCSc1nccs1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 733974321 MSGCFJYBYSIGGM-LBPRGKRZSA-N 430.382 4.101 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 734061831 IKKZSJCPJMSJPG-UHFFFAOYSA-N 445.519 4.244 10 20 IICD COc1ccc([C@H]2[C@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CCC(=O)N2C)cc1 734424267 BDBZYDPWHSVVHX-RSXGOPAZSA-N 449.595 4.254 10 20 IICD Cc1ccc(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 734817097 MFGVZXWWANWOOY-NBVRZTHBSA-N 430.620 4.397 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 736402474 HHLYPEPBODNHKE-NYHFZMIOSA-N 449.954 4.016 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(-n4cccn4)ccn3)c2C)cc1F 736857426 YBVATEOMPVGGTM-UHFFFAOYSA-N 432.455 4.162 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)CC1 739767806 FPYXMQXUJDQOOU-UHFFFAOYSA-N 429.520 4.220 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cc1 741094565 LFAVVTGXNQTQIN-UHFFFAOYSA-N 445.894 4.315 10 20 IICD CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1ccc(OC(C)C)cc1 741210444 XPXAUCRRJIOGEA-UHFFFAOYSA-N 433.556 4.147 10 20 IICD O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1Cl 742333956 BABKZJNQUFZGGM-CYBMUJFWSA-N 434.867 4.028 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OC)c(N4CCOC4=O)c3)c2C)cc1 742952002 UUEQQLTYVRYIOB-UHFFFAOYSA-N 435.480 4.320 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 743553366 JEUSFXQXZFSFKR-UHFFFAOYSA-N 426.517 4.194 10 20 IICD Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c[nH]1 748459589 NYWDGJUOMVKEKC-OAHLLOKOSA-N 444.434 4.120 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCOC3CCOCC3)c2C)c1 753528167 CMAHLHKYOGRXHN-UHFFFAOYSA-N 431.554 4.128 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 753905262 MXTJGCREKCPTMY-KRWDZBQOSA-N 447.576 4.166 10 20 IICD Cc1ccc([C@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c(O)c1C 756597764 PKGJKDGVIVKHHD-KRWDZBQOSA-N 426.538 4.451 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 763056400 CINRKXIDNZSWDP-NJDAHSKKSA-N 431.627 4.437 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 766410836 FGSYOYBOOUDWML-HNNXBMFYSA-N 435.927 4.004 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)CNC(=O)OC(C)(C)C 769291349 NKAIMXAKFFYKPA-UHFFFAOYSA-N 429.355 4.054 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 769532759 SLDFJLYOEJXXNW-ACJLOTCBSA-N 425.451 4.083 10 20 IICD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 772346199 URBDZCTUKHLQNY-HXUWFJFHSA-N 429.568 4.255 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 773743659 GCZUYXWQOWMDEI-ZDUSSCGKSA-N 432.929 4.077 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)c1 775370758 QNTKMGZLUHTAOJ-FYSMJZIKSA-N 444.959 4.202 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1c(F)cccc1F)C(F)(F)F 776018316 VEAMHNYCGANFCM-GOSISDBHSA-N 447.379 4.043 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCO[C@@H](c3ccc(F)cc3F)C2)c1O 777570145 SLYJNKAHLVQTKW-JOCHJYFZSA-N 425.431 4.181 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4[nH]c(-c5cccs5)nc34)c2)CC1 781278761 RILMHGZKIRNHJJ-UHFFFAOYSA-N 445.548 4.212 10 20 IICD COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nc1Br 781603685 BEDHWVCWMVMWRQ-UHFFFAOYSA-N 444.329 4.354 10 20 IICD FC(F)Oc1ccc(N2CCC(NCc3ccc(Cl)cc3-n3cncn3)CC2)cc1 792952388 YWKFPUCXURGCCV-UHFFFAOYSA-N 433.890 4.281 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1cccc(C(F)(F)F)c1 795997938 LZWXBUPKIJYVNR-SFHVURJKSA-N 444.400 4.125 10 20 IICD CNC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 797395784 CMLDDAWKCAMAOO-NRFANRHFSA-N 429.480 4.034 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1Oc1cnn(C)c1 801169079 MJHJOIZDDBIRNF-UHFFFAOYSA-N 430.302 4.343 10 20 IICD CCc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 805022991 KVYDFJNWFDMOCL-GOSISDBHSA-N 442.629 4.086 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 805023665 ZKPBVNLBSFNABO-RTBURBONSA-N 439.522 4.024 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H]1CCSc3ccccc31)c2[N+](=O)[O-] 822250141 HLDKPNJBIAFHGV-SFHVURJKSA-N 444.468 4.337 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)n1-c1ccccn1 914614345 ZUONCGBXSHEQSF-UHFFFAOYSA-N 447.491 4.326 10 20 IICD CC(=O)N(c1ccccc1)c1nc(CNCc2ccc(N3CCOCC3)c(F)c2)cs1 917435054 IQVDBZUVCCAPRF-UHFFFAOYSA-N 440.544 4.093 10 20 IICD CSc1nc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2s1 918456566 SPGATSGBESZRKJ-UHFFFAOYSA-N 440.594 4.214 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2cccc(Cl)c2)on1 919971093 NTPRJZCWMCMXIS-UHFFFAOYSA-N 429.879 4.025 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1noc(-c2ccccc2O)n1 920751972 MPRAPMXFIDDGOE-UHFFFAOYSA-N 436.493 4.389 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F)c1ccc(N2CCOCC2)cc1 920923973 YUNRSXAMLWNONB-GOSISDBHSA-N 447.510 4.145 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)c(F)c3)n2)s1 1116863452 AZEHZUQUSKLYRA-UHFFFAOYSA-N 425.532 4.332 10 20 IICD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2c(Cl)ccc3nonc23)CC1 1324140182 FZIVSGLZVHQZQX-UHFFFAOYSA-N 449.294 4.029 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4nc(C)oc4c3)n2)cc1 1338808906 VVUQWWZZMYBNRR-UHFFFAOYSA-N 428.495 4.019 10 20 IICD Cc1cc(-c2nnc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)o2)c(C)n1-c1ccccc1 1345602093 OMTPZPIDWDCJIK-UHFFFAOYSA-N 427.424 4.300 10 20 IICD CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821294806 RMIXPFRLHVTDDZ-HNNXBMFYSA-N 434.924 4.216 10 20 IICD CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(C)C 15688310 JRVXENKXZKKLEF-AWEZNQCLSA-N 441.911 4.306 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccnc3SCc3cc(C)on3)CC2)cc1 108432325 WEAWVNCGALFLNK-UHFFFAOYSA-N 438.553 4.031 10 20 IICD CC(C)Oc1cc(Br)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 108924209 IDYWTDKKPGZMBH-UHFFFAOYSA-N 447.373 4.345 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 210098048 HKSZVHAFWLEGKW-WJDWOHSUSA-N 432.479 4.009 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCOc3ccc(C(F)(F)F)cc3)CC2)cc1 726613842 RWDHCCJTJJTYSU-UHFFFAOYSA-N 437.462 4.061 10 20 IICD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 726720198 WYISIZFZGZRHEH-IBGZPJMESA-N 442.991 4.368 10 20 IICD COC(=O)Nc1ccc(CNC(=O)CN(Cc2cccs2)c2ccc(OC)cc2)cc1 727139018 AGICAJPLHAVINW-UHFFFAOYSA-N 439.537 4.258 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 727250923 MEQPMIWGSOTVDC-UHFFFAOYSA-N 444.513 4.003 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(OC(C)C)cc3)cc2F)CC1 730118876 VBHOQKZYDOAXQQ-LJQANCHMSA-N 442.579 4.315 10 20 IICD CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)NC(C)=O 731016493 UGBGCYIBEZNBPA-XMMPIXPASA-N 437.584 4.205 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccc(N(C)C)cc2C)cc1 734403178 XKWFBSVZOKGSKG-UHFFFAOYSA-N 443.594 4.162 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCS[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 735581878 KROWJAOJPVOYOD-IEGUWTFLSA-N 443.588 4.439 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)nnn1-c1cccc(C(C)C)c1 741672256 OAJXKYQXEHPIOH-UHFFFAOYSA-N 447.583 4.110 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(Br)c3)cc2F)C[C@@H](C)O1 742558051 ZUKUPIQMNQGFHJ-BETUJISGSA-N 439.300 4.271 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)c(OC)cc1F 743149087 UXMWMXXTKOWKCJ-UHFFFAOYSA-N 427.270 4.365 10 20 IICD C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743527910 CUYRUNXYMUNPGY-SJLPKXTDSA-N 433.499 4.283 10 20 IICD CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 743636237 GMQPIMSCECBRQS-NRFANRHFSA-N 427.564 4.388 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 743954585 BXXJJDUBIHBDMV-UHFFFAOYSA-N 448.494 4.244 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 746035554 SPVLIGYCLCEDHO-UHFFFAOYSA-N 439.556 4.071 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O 748848811 JPBJVYWIBVXLAX-CPNJWEJPSA-N 444.534 4.446 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)cc1 751226957 CXNWQRHDTORYSY-UHFFFAOYSA-N 445.494 4.478 10 20 IICD O=C(Nc1cccc2ccsc12)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752399919 KTYNZNJYVZZYHF-OAHLLOKOSA-N 445.491 4.226 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N([C@@H]3CCOc4ccccc43)C1=O)OCO2 758818220 BDKCEIRLRXJYHJ-MRGVZLDZSA-N 427.503 4.149 10 20 IICD CCn1cc(C(=O)C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)cn1 759762855 GBAMSNWOEKEHKL-UHFFFAOYSA-N 437.500 4.395 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 761974222 VGJPGLYCTCWGFE-LBPRGKRZSA-N 430.555 4.025 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C1CC1 763139142 VMCIZJRDHZERJW-SFHVURJKSA-N 437.588 4.223 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)CC2)cc1 765974493 HULSUWQPWLJJKB-OAQYLSRUSA-N 427.520 4.405 10 20 IICD COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 767716652 SIFXYVNPFANYHX-UHFFFAOYSA-N 432.479 4.481 10 20 IICD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2c1CCCC2 769562865 RYDKOJNKHYXEPT-QFIPXVFZSA-N 440.540 4.162 10 20 IICD O=C(Nc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1)OCC(F)(F)F 769690819 XZBSGQSVZSCMMB-UHFFFAOYSA-N 437.418 4.033 10 20 IICD C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1cccc(Br)c1O 775146192 MHAWURRDIKCBFY-CYBMUJFWSA-N 446.345 4.010 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc4c(C)ccnc34)n2)cc1 777665040 AHPWAWRYROKYLM-UHFFFAOYSA-N 438.534 4.426 10 20 IICD Cc1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)c(C)n1-c1ccccn1 779843885 MQCSBCBVBJEHMR-FQEVSTJZSA-N 445.527 4.030 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)c(Cl)c3)c2)CC1 781045982 VBYPXEWKWMLYQW-UHFFFAOYSA-N 436.737 4.023 10 20 IICD Cc1ccn(-c2ccccc2NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)n1 783482854 LQYCWOJKYWTOMR-IBGZPJMESA-N 439.519 4.496 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 784028155 UEHYMAMVCBEKJK-UHFFFAOYSA-N 435.549 4.457 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCNC2=O)c1C 786300221 VGIIGOLFYQBUDZ-UHFFFAOYSA-N 447.333 4.047 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 787371972 YBGFUYNBIUTLCV-GOSISDBHSA-N 432.362 4.355 10 20 IICD Cc1cc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C=O 793570745 HLHRYZVFEMCHIF-QFIPXVFZSA-N 439.556 4.178 10 20 IICD C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 796281818 ZDOIWYKIWWEMCM-HXUWFJFHSA-N 449.620 4.350 10 20 IICD CC(C)C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 796341076 OAQFHFVEZBRSPC-OAQYLSRUSA-N 443.555 4.294 10 20 IICD Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2)n1 799995378 HODUOCKNJSGPEP-MAUKXSAKSA-N 431.968 4.357 10 20 IICD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 803661760 LWXZIEQRAIORMM-QGZVFWFLSA-N 449.526 4.061 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1Cc2cccc(Cl)c2C1 804968825 GGMMMMGEHWNOFA-UHFFFAOYSA-N 439.865 4.421 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc12 808935648 GEHSVVAIGWLPNY-UHFFFAOYSA-N 434.536 4.388 10 20 IICD Oc1c(F)cc(Cl)cc1CN(CCn1ccnc1)Cc1ccc(Br)o1 809752755 IGTLPJUFSMMZNI-UHFFFAOYSA-N 428.689 4.439 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1cc(Cl)c(F)cc1O 816550667 XWGKLKUDRZLAKX-UHFFFAOYSA-N 445.922 4.229 10 20 IICD CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2cc(Cl)c(F)cc2O)CC1 816551549 GAMVLTYKOUTUJP-UHFFFAOYSA-N 431.861 4.245 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC(F)F)c(Cl)c1 916668512 AQDFGAWNVZZUHM-UHFFFAOYSA-N 429.826 4.239 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 917380552 DQPJUFGNCAXXFY-UHFFFAOYSA-N 443.809 4.034 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSCc1coc(-c2ccccc2)n1 917954984 UGSUEANVTXKSLE-UHFFFAOYSA-N 437.565 4.070 10 20 IICD OC1CCN(c2ccc(CNCc3c(-c4ccccc4)nc4sccn34)cc2F)CC1 917999002 TUTKCYXOGOQTJE-UHFFFAOYSA-N 436.556 4.453 10 20 IICD C[C@@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(N2CCOCC2)cc1 920871730 NQDPRFDMTFZXAD-QGZVFWFLSA-N 445.510 4.115 10 20 IICD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718151 MOYHZTYOQXTBDP-VKKPSFOXSA-N 444.915 4.008 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 9932485 IIFOWMVIFGCKKM-UHFFFAOYSA-N 426.542 4.036 10 20 IICD O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc(N2CCOCC2)cc1 108804834 ZZDYQPIVUYQOBV-UHFFFAOYSA-N 440.547 4.111 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3csc(Br)c3)CC2)cc1 726713689 PXMGEONBADGJLZ-UHFFFAOYSA-N 438.391 4.330 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2csc(-c3cnccn3)n2)c1C 728383689 XUBLUOUZDIOIDG-UHFFFAOYSA-N 432.505 4.356 10 20 IICD C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 730480438 AGLDMNFGSROAGF-CQSZACIVSA-N 425.331 4.464 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccccc3CN3CCCC3=O)cc2)CC1 731048006 CDAOOBVXBKQKNU-UHFFFAOYSA-N 434.584 4.045 10 20 IICD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731119961 VKIOERWHKWTHON-UHFFFAOYSA-N 436.600 4.356 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2nc(C)n(-c3ccccc3)n2)c1C 731744211 SNYKDTBQSGUHFA-UHFFFAOYSA-N 428.492 4.331 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 733846112 MJDOKTCTGZVJIY-IBGZPJMESA-N 443.551 4.495 10 20 IICD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCc3cc(OC)ccc3O)s2)cc1 734070629 XKKBPUVIAITQTA-AWEZNQCLSA-N 427.526 4.402 10 20 IICD O=C(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cccc(Br)c1 736310542 SJRVDVRJPYTRHS-IBGZPJMESA-N 433.346 4.165 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 742602363 PNUOEWRMYBQAHM-VXKWHMMOSA-N 445.604 4.050 10 20 IICD CC1=NN(c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)CC1 742805849 OQSMQDKTHTXJMT-GOSISDBHSA-N 428.483 4.273 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1 743719602 KNDCBYRRPDWJQR-UHFFFAOYSA-N 435.545 4.175 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 747458565 WKYDEDCZBSAVEA-UHFFFAOYSA-N 428.476 4.047 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 747544762 YPEMZFWCBOBWJS-PZJWPPBQSA-N 443.613 4.057 10 20 IICD Cc1cc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 747913467 KCVRVGFAUISJCG-OAQYLSRUSA-N 430.957 4.263 10 20 IICD C[C@@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 753930226 MMIFRWLLMFJSJU-GOSISDBHSA-N 436.581 4.250 10 20 IICD C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1O 756588646 HRWAYMBXDWCHGG-LLVKDONJSA-N 448.329 4.336 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 759594214 PWZNVYALFAOFEZ-KGHNQEBZSA-N 446.431 4.083 10 20 IICD CCc1ccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 760746776 XCDGDIHWVZVLDF-ZWKOTPCHSA-N 449.555 4.257 10 20 IICD C[C@@H]1CN(c2ccc(CN3C(=O)N[C@H](c4ccc(Cl)c(F)c4)C3=O)cc2F)C[C@@H](C)O1 761093969 WQPDCAVPSZFCCL-VFGMZZLHSA-N 449.885 4.025 10 20 IICD Cc1cccc([C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccn2)c1 766252207 QALXNTMGQAZBQS-RUZDIDTESA-N 448.542 4.079 10 20 IICD CC(C)Oc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769692435 OAAMQGJBZCJASY-UHFFFAOYSA-N 432.523 4.294 10 20 IICD O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 770508249 FMRFZFSOJXZAKY-OAQYLSRUSA-N 434.492 4.173 10 20 IICD COCC[S@](=O)Cc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 770578150 AOAHYLZDIQWMKT-PMERELPUSA-N 431.558 4.092 10 20 IICD COc1ccc(C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)c2ccccc2)cc1OC 775004558 PMBPIZFCAKDKFU-LJQANCHMSA-N 438.480 4.400 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(-c2nc(C)cs2)c1 777829385 VLMFDTZGEUNRDG-UHFFFAOYSA-N 430.913 4.293 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](CCc1ccccc1)C(F)(F)F 778620604 OYDKDQOMCXYEBD-HXUWFJFHSA-N 439.453 4.025 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)c1O 779016691 CZGYCAAHOHCVNY-QGZVFWFLSA-N 449.389 4.025 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccc(N)cc1 783483496 ZBUMSZJLRZSVJT-KRWDZBQOSA-N 443.482 4.327 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783486187 MGXMOZICCMBUKW-LJQANCHMSA-N 439.519 4.496 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1 784105223 CRZYLNWCADEMMA-UHFFFAOYSA-N 434.584 4.069 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C(F)F)c1 785191765 GSQITEQGKSNBMG-UHFFFAOYSA-N 427.245 4.080 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 785304911 TXNJLUKKRXEXAK-AWEZNQCLSA-N 440.883 4.229 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1nnc(C2CCCC2)o1 791245683 DMSLCUUBSDQPBB-UHFFFAOYSA-N 442.560 4.048 10 20 IICD O=C(NCc1cccc(NC(=O)c2ccccn2)c1)NCc1cc(Cl)cc(Cl)c1O 804937595 FSAJSQWGOWQOIS-UHFFFAOYSA-N 445.306 4.346 10 20 IICD Cc1cccc([C@H](NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(C)(C)C)c1 807702805 FYOLHONAAWVZGA-GMAHTHKFSA-N 438.568 4.112 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(C(=O)OCc2ccccc2)CC1 807836561 FNUILQJGCKDKNL-UHFFFAOYSA-N 437.323 4.364 10 20 IICD COc1cc(Cl)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C 808920094 VBSGQZQQLGRKRH-UHFFFAOYSA-N 428.872 4.123 10 20 IICD CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812039870 VNICCIWAWBEHAQ-UHFFFAOYSA-N 435.572 4.219 10 20 IICD CCn1c(/C=C\c2cn(C)nc2C(F)F)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 812241400 HUDWWYHNLSCKHC-DAXSKMNVSA-N 434.390 4.191 10 20 IICD COc1c([N+](=O)[O-])ccc([C@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)c1O 877850257 KVUKFTUEEGHUSF-QHCPKHFHSA-N 433.464 4.427 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)OCCO2 913962231 LLUGCIKTFDTDLV-ATVHPVEESA-N 446.575 4.139 10 20 IICD CN(C)c1ccc(CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C2CC2)cc1 917073851 DLKXKNRHPFJVRG-JOCHJYFZSA-N 432.524 4.281 10 20 IICD C[C@H]1CN(c2ccc(CN=c3nc(-c4ccncc4)[nH]c4ccccc34)cc2F)C[C@H](C)O1 917086411 JYERTZIACFHMBB-ROUUACIJSA-N 443.526 4.479 10 20 IICD Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1S(=O)(=O)Nc1cccc(Cl)c1 917310168 VGVWCKJJAOAYAI-UHFFFAOYSA-N 444.940 4.427 10 20 IICD CCCCNS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 918029949 YMJYZEKNIPVRMS-UHFFFAOYSA-N 444.601 4.028 10 20 IICD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 919443545 QOTSFQSZXXJXRQ-CQSZACIVSA-N 439.339 4.029 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c(C)n1-c1cccc(Cl)c1 919980020 HTLXNWFSBZGVDW-UHFFFAOYSA-N 441.881 4.278 10 20 IICD CCOC(=O)C1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 921121266 AYLBYXWPUNAAHO-UHFFFAOYSA-N 427.545 4.179 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1N1CCN(C)CC1 1115844835 DEEFHQQGTCVAAL-UHFFFAOYSA-N 435.616 4.401 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4F)C3=O)cc2F)CC1 1321783001 HGCYXRLSIHAJAD-ODLFYWEKSA-N 449.523 4.262 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COC(C)(C)C)C3)cc1 1800512889 HTDRAUJLGHHQCD-UADZTWIMSA-N 437.584 4.161 10 20 IICD COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)Cc2ccccc2)cc1 22983686 GOWOKNTZZBOIKL-UHFFFAOYSA-N 431.536 4.177 10 20 IICD Cc1cc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c(C)n1-c1ccc(Cl)cc1 71998311 ABXBISUKDKTSKH-UHFFFAOYSA-N 436.899 4.052 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)ccc21 303192659 MKPKVKSNWCADOX-VWLOTQADSA-N 449.595 4.480 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)cc2F)CC1 303318744 QVUOLOSDNVOUQP-DEOSSOPVSA-N 442.579 4.173 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 726191302 YMHLJEWIFNTCJI-UHFFFAOYSA-N 426.536 4.232 10 20 IICD FC(F)(F)c1cccc(CNC(=S)NCc2ccc(N3CCSCC3)cc2)c1 726469170 ZKEJHZWQKCYRRA-UHFFFAOYSA-N 425.545 4.423 10 20 IICD O=C(CCc1cnn(-c2ccccc2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565192 FYBLOOUJEYBILG-UHFFFAOYSA-N 440.494 4.192 10 20 IICD CN(C)C1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCCCC1 726611281 SWMQMQGBBPIANS-UHFFFAOYSA-N 438.563 4.211 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCc4c(Br)cccc4C3)CC2)cc1 726712785 CSVPQCFQGXXEOY-UHFFFAOYSA-N 444.373 4.194 10 20 IICD COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 727996315 IZZIFYMXMYJTJR-UHFFFAOYSA-N 425.916 4.376 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccn(-c2cccc(Br)c2)n1 730214508 UDNCNDDFYHVKAH-UHFFFAOYSA-N 425.330 4.165 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 731049840 RNWYASCINFLSTN-UHFFFAOYSA-N 430.593 4.122 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 731279260 ZLXTXVZBXFDELF-UHFFFAOYSA-N 440.422 4.353 10 20 IICD COCC[S@@](=O)Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 735179779 SVARXHHIRFSVRO-WJOKGBTCSA-N 442.537 4.115 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc5cccnc45)n3)ccc2N1 735916717 ZAHBBXSBHLOYOF-UHFFFAOYSA-N 436.518 4.044 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)c2C)cc1 736567273 JRJMEVQBEQDWSS-UHFFFAOYSA-N 447.535 4.136 10 20 IICD COc1ccc(N2CCN(CCNC(=O)Cc3coc4ccc5ccccc5c34)CC2)cc1 742911118 TZLFORSDTVJOOE-UHFFFAOYSA-N 443.547 4.076 10 20 IICD C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743527906 CUYRUNXYMUNPGY-AEFFLSMTSA-N 433.499 4.283 10 20 IICD CCS[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 748805886 HUZYKPHZCFDMOD-UONOGXRCSA-N 438.505 4.164 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1ccccc1Br 748964005 MFIHCOMFNZGMPS-MRXNPFEDSA-N 430.346 4.092 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(OCCF)c1 760071558 LRWBFDAWFIXPMR-UHFFFAOYSA-N 441.425 4.212 10 20 IICD C[C@H]1CN(c2ccc(CNCC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 760658054 RVVZAOCRGTZMNH-HDICACEKSA-N 435.584 4.176 10 20 IICD C[C@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765852329 VGRWWKOMGOWPLN-ROUUACIJSA-N 438.012 4.474 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1c1cccs1 769615985 SKZYXSPOBYIHML-OAHLLOKOSA-N 434.564 4.293 10 20 IICD CC(C)N(Cc1ccccc1F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769734829 GCPZJBPEIUXPBG-UHFFFAOYSA-N 448.541 4.444 10 20 IICD COc1cccc(CNC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1O 770266168 QFMWFEBNEXLMHC-UHFFFAOYSA-N 445.273 4.067 10 20 IICD Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2ccccc2)cc1 773749700 BQPKXWHYNPSYRT-AVRDEDQJSA-N 432.520 4.015 10 20 IICD COc1ccc(O)c([C@H](C)NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c1 775365868 ZLCBPXUYMJNGJE-HRAATJIYSA-N 443.490 4.497 10 20 IICD CC[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)ccc1O 775513685 SZVFJDDFLJBRCU-QUCCMNQESA-N 431.374 4.429 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nn1C1CCCCC1 776308849 WLYGOAIOGDXGFY-QZTJIDSGSA-N 428.552 4.379 10 20 IICD Cc1cc(C(=O)CN(C)CC2(O)CCOCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 781962132 KUKDBOMLBQYLLJ-UHFFFAOYSA-N 425.356 4.057 10 20 IICD Cc1cc(Br)c2oc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2c1 782548785 BLDPLXNPFUCDHL-UHFFFAOYSA-N 429.314 4.270 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(-c2cccc(Cl)c2)on1 786048542 PGPPEJNKWKJBBL-UHFFFAOYSA-N 426.904 4.496 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCC(F)(F)CC1 788986887 GVNVGKTYOWWOOK-QGZVFWFLSA-N 433.522 4.246 10 20 IICD Cc1oc2c(CN3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1 790391571 NLBRZUZCZJTFOX-ZTBAGHRESA-N 435.520 4.242 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)cc1 790958175 LCKDTBRUMIYUJM-UGKGYDQZSA-N 432.568 4.419 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 791249437 GVKIXIXZLGMBAJ-UHFFFAOYSA-N 437.540 4.037 10 20 IICD Cc1ccc(-n2ncc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2C(C)C)cc1 792274084 QRRQLEDPYBFBCI-GOSISDBHSA-N 433.556 4.186 10 20 IICD Cc1cc(C)c(C(=O)NCCCSc2nccs2)cc1I 793499689 UMVNTHNRLDHUIV-UHFFFAOYSA-N 432.352 4.277 10 20 IICD O=S(=O)(CCc1cccc(Cl)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 795814636 GPNAQAUPUCEHRS-UHFFFAOYSA-N 444.931 4.072 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c(O)c1 797389575 OMDCRUSPDHEGNW-UHFFFAOYSA-N 446.290 4.025 10 20 IICD O=C(c1ccccc1Cl)c1cc(Cl)ccc1N[C@H]1CCN(C2CCOCC2)C1=O 799968171 YOCRRSCIEAWVJS-FQEVSTJZSA-N 433.335 4.416 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 800718893 FBQIOZUXVAFBFM-ICSRJNTNSA-N 449.039 4.414 10 20 IICD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NCc1cc(Cl)cc(Cl)c1O 805097420 QPNQFPOROCZYCR-UHFFFAOYSA-N 441.702 4.444 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 806149115 PIJWZQFMTICDRD-UHFFFAOYSA-N 446.356 4.050 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cc(F)c(F)cc3N3CCOCC3)cc2)CC1 806716233 QNJPWINWMYTMIK-UHFFFAOYSA-N 444.526 4.359 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1F 813062509 OOMYRIJFVDFVAK-VWLOTQADSA-N 427.564 4.199 10 20 IICD COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OC(=O)c1ccc(F)cc1 814284890 LZTYKMTWFMSCGY-WQRHYEAKSA-N 429.494 4.417 10 20 IICD Cn1ncc2c(O)nc(CSC3=NC(=O)/C(=C\c4csc5ccccc45)S3)nc21 814773482 SZDDRWVVLHRHDV-MKMNVTDBSA-N 439.547 4.187 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)c1 903935451 ZMAJRSBBJIOWFI-UHFFFAOYSA-N 428.894 4.421 10 20 IICD O=C(NCc1cccc(OCc2ccccn2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916387164 DXWHYHLPCXZHGW-XMMPIXPASA-N 447.535 4.257 10 20 IICD CC(C)N(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1ccc(N(C)C)cc1 917074796 GHGPRAZSJCDZTR-QHCPKHFHSA-N 437.584 4.098 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2ccccc2Cl)c1 917482332 IHIBDABEXJRUKC-QHCPKHFHSA-N 428.960 4.418 10 20 IICD Cc1cccc2sc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(Cl)c12 917834856 RPPIUKRJEUVODM-MRXNPFEDSA-N 441.984 4.495 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)CC2)cc1 918030158 SUWGMUUFDLHSRR-SFHVURJKSA-N 443.617 4.128 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 919774559 PRKPSUNMTXHYAW-UHFFFAOYSA-N 448.498 4.236 10 20 IICD CN(CCCC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1336687999 TWNJVKJYBRSXHV-UHFFFAOYSA-N 441.519 4.020 10 20 IICD CC(C)=CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712755 WVAAEEFCAMUIBQ-CYBMUJFWSA-N 449.960 4.180 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCSc1nc2ccccc2s1 16134750 DKJZOEADTSUGKK-UHFFFAOYSA-N 427.595 4.274 10 20 IICD COC(=O)NCCCC(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 97553690 VEYVLOBNMVKPAB-UHFFFAOYSA-N 430.505 4.431 10 20 IICD C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOCC2)cc1 726244662 DZPNWRMXZZPXGO-RTBURBONSA-N 442.991 4.063 10 20 IICD O=C1Nc2ccc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)c3cccc1c23 727247772 MOZNUAWMBMYJEC-UHFFFAOYSA-N 449.513 4.265 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1ccc(F)cc1F 727490751 XUSGIJSVNGZTRD-VCHYOVAHSA-N 436.480 4.346 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(c2ccc3cccc(O)c3n2)CC1 728209979 CFDRTIIFHKGADZ-UHFFFAOYSA-N 444.579 4.464 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)c(I)c2)c1 728978063 LNEQIHFAEHJKHN-SECBINFHSA-N 431.657 4.150 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1F 731345797 JKYUNNPEJRFWMQ-UHFFFAOYSA-N 444.532 4.141 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 741436022 UCZVJJSQBYAJKS-OAQYLSRUSA-N 430.593 4.122 10 20 IICD CSc1nc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccn12 742801079 YDLPGOYQUABGFF-CQSZACIVSA-N 432.496 4.056 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cn1 743046279 UGUVRXULNQLXKG-UHFFFAOYSA-N 444.513 4.253 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2nc(C)cc2C)nc1 743809152 MGJOWRKHSUKHGJ-UHFFFAOYSA-N 429.318 4.015 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 750611994 WMNAMPRBSDRGCI-UHFFFAOYSA-N 434.496 4.383 10 20 IICD CCCCCC(C)(C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 753202822 GEQYXROHWUIJQA-UHFFFAOYSA-N 427.568 4.165 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(Cc4ccccc4)nc3C)CC2)cc1F 753739749 JZMYSGJIYCHDLK-UHFFFAOYSA-N 425.529 4.152 10 20 IICD Cc1cc(C(=O)CN(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1ccccc1 754667527 ALKMBIGPWWUQSY-UHFFFAOYSA-N 430.596 4.311 10 20 IICD CN(C)c1ccc(CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 755128150 FXMIMWBOXKROIL-UHFFFAOYSA-N 432.318 4.157 10 20 IICD COc1ccc([C@@H](O)CN[C@H](C)c2cc(Br)cc(Br)c2O)cc1 756381052 JEWTWIFPZCAKND-HWPZZCPQSA-N 445.151 4.310 10 20 IICD CCNC(=O)COc1cccc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756432182 IGVOCEONHWUCSN-GFCCVEGCSA-N 441.753 4.174 10 20 IICD C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1cc(Br)cc(Br)c1O 756573295 ITYSNRJGWKIFED-NSHDSACASA-N 448.199 4.216 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)cc1 758903175 WLTCUFMZEJPUDV-QHCPKHFHSA-N 425.573 4.351 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(OCCC(C)C)cc3)CC2)cc(OC)c1OC 759242100 MNPQXZJCHIHDFE-UHFFFAOYSA-N 442.556 4.100 10 20 IICD Cc1noc(C[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2)n1 759874710 JFTBEDOUDLHPDX-QHCPKHFHSA-N 433.556 4.494 10 20 IICD CC(C)(C)c1nn(-c2ccccc2Cl)cc1/C=C1/SC(N2CCOCC2)=NC1=O 763290915 WKMLRGPKDBNJBW-SFQUDFHCSA-N 430.961 4.126 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncc(-c2ccc(Br)cc2)[nH]1 768207375 GOISOMYXCFHELR-UHFFFAOYSA-N 441.373 4.308 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768913968 BRZMEVBETVHUBF-FQEVSTJZSA-N 439.943 4.332 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1 773428344 IPWJGIUCQKZYGB-HTAPYJJXSA-N 432.406 4.067 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 775368852 HLCMQQHMHRJQGW-WZONZLPQSA-N 443.547 4.481 10 20 IICD C[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(N2CCOCC2)c(F)c1 777241681 MFNVNEVYAMFJPB-LJQANCHMSA-N 427.564 4.040 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1cccc(Cl)c1 777741682 UKCLWEIRZZJEPZ-UHFFFAOYSA-N 443.910 4.132 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnc2n1CCCCC2 779173389 JJVUVPFWTIQUJF-MRXNPFEDSA-N 431.500 4.236 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 780458873 XLQMQFYDXXFPLI-HSZRJFAPSA-N 432.520 4.398 10 20 IICD COc1cc(OC)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1F 783484435 CGQPYHNHNJASHF-HNNXBMFYSA-N 437.471 4.158 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc4c3CCN(CC(C)(C)O)C4)ccc21 784728625 HVIAMKNJSFAKNZ-UHFFFAOYSA-N 449.595 4.286 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 788248612 RQWSYEDADDUSSW-SFTDATJTSA-N 435.584 4.102 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1 788965399 HBWCUSARTDPVGJ-UHFFFAOYSA-N 425.554 4.033 10 20 IICD CN1CCC(N2CCC(CCN(C)Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)CC1 792831714 MHJBIHCPIZCEGV-UHFFFAOYSA-N 440.598 4.400 10 20 IICD C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1cc(Br)cc(Cl)c1O 800505247 SZRCIDSYDFAXDT-CYBMUJFWSA-N 446.794 4.116 10 20 IICD C[C@@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800505308 JYBBAVWMNPTIOL-NTKDMRAZSA-N 437.971 4.430 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCC(=O)Nc1cc(Br)ccc1C 802069413 RMAQURSFAQOELW-UHFFFAOYSA-N 448.361 4.414 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 802146023 OSSFDOJXIKBZJB-UHFFFAOYSA-N 428.577 4.221 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC([C@H]2CCCO2)CC1 802523344 RMWUVVFZDMEBDV-XMMPIXPASA-N 449.599 4.394 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F 802610195 VBEJKMJTRGIJAN-UHFFFAOYSA-N 426.847 4.414 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807670793 INOYYEIWOKCWAJ-JYJNAYRXSA-N 435.490 4.257 10 20 IICD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 808101536 CMZWYBLHFUGHNV-UHFFFAOYSA-N 439.704 4.120 10 20 IICD CC(=O)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 808483458 NCDLLHFARALGMC-UHFFFAOYSA-N 427.356 4.080 10 20 IICD CC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C(F)(F)F)cc1O 810237752 VSJZQUHCGDDXLM-GOSISDBHSA-N 428.476 4.192 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@](C)(OC)CC1 812106381 JBLHLKHLZCPDOE-VWLOTQADSA-N 437.588 4.394 10 20 IICD Cc1cc(-c2nnc(N(CCCCO)C3CC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812392044 VGDGIVLFFIXLBA-OAQYLSRUSA-N 449.599 4.130 10 20 IICD Oc1ccc(Br)cc1CNc1cc(N2CCOCC2)ccc1Br 864013243 RALWQDVGHSPOAS-UHFFFAOYSA-N 442.151 4.366 10 20 IICD Oc1cc(Br)ccc1CNc1cc(N2CCOCC2)ccc1Br 864014324 MFRHAXRDCWDZLJ-UHFFFAOYSA-N 442.151 4.366 10 20 IICD Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916628394 MNVMENMOJNXHOB-XMMPIXPASA-N 448.567 4.210 10 20 IICD CCOc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1OC 916686951 UZGLNRAZXBNBRV-IYBDPMFKSA-N 431.508 4.168 10 20 IICD C[C@@H](OC(=O)/C=C\c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918019412 RTWRDRQFXSUIAB-XMXAVACDSA-N 431.469 4.107 10 20 IICD COc1ccc(-n2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)n2)cc1 919812123 IJAQHFUSWYNDAF-UHFFFAOYSA-N 430.508 4.383 10 20 IICD O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 1116443097 FSVLGSAKONWTPD-UHFFFAOYSA-N 428.374 4.007 10 20 IICD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791240000 RMZSSFQRDQOAID-OIUYUKGDSA-N 442.519 4.046 10 20 IICD C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 16387028 ZVZPPRNXHHQNOC-INIZCTEOSA-N 436.383 4.139 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 18150713 QHVUGEWABCEVBO-UHFFFAOYSA-N 438.597 4.344 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 61045442 RFOUWOONTAJNSF-UHFFFAOYSA-N 437.609 4.253 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)ccc21 303192658 MKPKVKSNWCADOX-RUZDIDTESA-N 449.595 4.480 10 20 IICD Cc1cc(-c2nc(CCCOCCc3ccccc3)no2)ccc1NC(=O)C1=S=CC=C1 545733903 FOMNRVDMTFMDOT-UHFFFAOYSA-N 447.560 4.453 10 20 IICD CN(C(=O)C1CC1)c1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567520 PUWUMUNCLLIKMQ-UHFFFAOYSA-N 443.494 4.060 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)cc2)C1 730481881 MUVMCQPNNVMHHD-YSGRDPCXSA-N 446.378 4.115 10 20 IICD CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(Cc1ccccc1O)C1CCCC1 732205239 LZKHEJOIHSPJRN-UHFFFAOYSA-N 426.557 4.203 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(Br)cc3F)CC2)cc1 732254495 JLLGIDFALUXFPB-UHFFFAOYSA-N 436.325 4.019 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1 732448491 JOTJWZFGOVUSBH-DEOSSOPVSA-N 428.621 4.246 10 20 IICD O=C(CN(Cc1cccnc1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 735685981 IGLXMAHNIUSUJB-XMMPIXPASA-N 431.536 4.002 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1OC1CCOCC1 738958732 DIXQQPWSGGPWKI-UHFFFAOYSA-N 441.597 4.428 10 20 IICD Nn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1C1CCOCC1 742456330 JMQKSKJXKVTDFE-UHFFFAOYSA-N 437.529 4.032 10 20 IICD CCO[C@@H](C)c1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 742799563 LTGPYCXTIBKUIT-KBPBESRZSA-N 425.501 4.241 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cc2F)C[C@H](C)O1 743554333 BDCKOLRIARPOTP-IRXDYDNUSA-N 441.547 4.023 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(OCc2cn3ccccc3n2)cc1 743716968 DFXYKQWVDBAOIY-UHFFFAOYSA-N 427.504 4.428 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nc(CC(F)(F)F)no1 743846937 AJZRMZQQIBUDPX-UHFFFAOYSA-N 426.439 4.152 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1 746134206 NQQGUMFOMRJVRM-UHFFFAOYSA-N 437.931 4.159 10 20 IICD CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 747762012 QOUISQPBZSJGJY-XLIONFOSSA-N 425.573 4.260 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Br)c(Cl)c3)cc2)C1 755196144 UJFPQSXJOFDZHO-MRXNPFEDSA-N 436.781 4.094 10 20 IICD O=C(Nc1cncc(Br)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 757911881 AMONIGQMZQZSAT-UHFFFAOYSA-N 441.276 4.236 10 20 IICD COCCC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1 760697007 JWVGCIZQHGTREZ-DTQAZKPQSA-N 438.640 4.053 10 20 IICD Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NCCc2ccc(O)c(O)c2)n1 761621073 ZKJKBSXSTVKSRC-UHFFFAOYSA-N 434.418 4.283 10 20 IICD COc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)ccc1OCC(F)(F)F 764418519 TXGQPNXBTYOQQD-VGOFMYFVSA-N 430.429 4.026 10 20 IICD CN(Cc1ccccc1O)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F 764520838 SHSLWAKSLCSVLU-UHFFFAOYSA-N 447.251 4.394 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3cccc(N4CCOC4=O)c3)cc2F)C[C@@H](C)O1 765117017 AOHCJGURVQKEQG-FGTMMUONSA-N 427.520 4.247 10 20 IICD CN(Cc1cc(-c2ccccc2)ccc1O)[C@H](C(N)=O)c1cccc(Br)c1 768528726 GUYIGMJNHNFKJW-NRFANRHFSA-N 425.326 4.480 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccco1 769035363 VJMZRJBECRAUON-RUZDIDTESA-N 449.551 4.086 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)N[C@H](C)c4ccccc4)no3)ccc21 770959688 LCNSJZZLMOHDHJ-QGZVFWFLSA-N 432.524 4.374 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1 772827650 LJCMQCGHDXAANK-UHFFFAOYSA-N 438.534 4.389 10 20 IICD CC[C@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1cc(Br)ccc1O 775494320 ZZRXGOGSSOAZPJ-SFHVURJKSA-N 441.391 4.082 10 20 IICD O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776744557 XHZQDCKUBQLDEN-UHFFFAOYSA-N 444.465 4.307 10 20 IICD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784057898 GXFNMWPYTFMWOI-UHFFFAOYSA-N 428.920 4.185 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 785295386 UKJHEVLVVLNJIT-AWEZNQCLSA-N 440.883 4.229 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3N(C)c3ccccc3)cc2)CC1 786659480 LCLDUGZJANJZQD-UHFFFAOYSA-N 442.563 4.053 10 20 IICD COc1ccc(CNC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c(O)c1 792932077 LKUILBJITJFJET-GFCCVEGCSA-N 425.348 4.143 10 20 IICD C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 793930222 JSGSSCKHDYFCOJ-NZQKXSOJSA-N 449.595 4.005 10 20 IICD CC[C@H](NCCCNC(=O)c1cc(OC)ccc1Br)c1ccc(F)cc1O 796757884 BFWUVAPVHRYQGX-SFHVURJKSA-N 439.325 4.163 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(O[C@@H]4CCN(C)C4=O)cc3C)c2C)cc1 799034507 QPICZTQBOWRFMK-XMMPIXPASA-N 447.535 4.273 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2Cl)C1 800049288 OKTWZLNEMMRTIC-MRXNPFEDSA-N 439.943 4.160 10 20 IICD C[C@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800996194 OIGTWEMRYIZOKX-PKOBYXMFSA-N 428.964 4.134 10 20 IICD COC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cccc(Cl)c1 808237698 BYPRJEZEISDXSX-VWKPWSFCSA-N 449.954 4.280 10 20 IICD Cc1cc(Cl)cc([C@@H](C)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c1O 808717270 GMUXTBOBAWZZJI-FATZIPQQSA-N 427.932 4.430 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1O 810210820 FNZMMVPYJNMJCJ-OXQOHEQNSA-N 435.490 4.354 10 20 IICD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 810357879 IAAOFNNCZUHGNJ-UHFFFAOYSA-N 448.489 4.433 10 20 IICD Cc1cc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812393895 KUMMWWOBDHIJRH-FPOVZHCZSA-N 449.599 4.393 10 20 IICD COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1OCC(C)C 918139463 DSLJNDOWACWLIO-HDICACEKSA-N 444.547 4.413 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)c2C)c1 919328006 SHWNIHWGYRWQQY-UHFFFAOYSA-N 445.523 4.183 10 20 IICD Cc1ccc(OCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 921284264 VGYZSCJUULOUMI-KRWDZBQOSA-N 447.373 4.240 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 1318778204 DVYOJOUBVMNVEO-UHFFFAOYSA-N 441.329 4.275 10 20 IICD CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 22874603 PVFKIRKRVNENEQ-UHFFFAOYSA-N 439.585 4.059 10 20 IICD O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 116034721 JCQXMNMNUCPWLR-SANMLTNESA-N 441.575 4.334 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCSc4ccc(F)cc43)cc2F)CC1 303297785 MGPLQEHNWAWHAQ-FQEVSTJZSA-N 446.567 4.143 10 20 IICD CCCCCNC(=O)C1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 484614192 NJCFBAQUTRNHMF-UHFFFAOYSA-N 427.589 4.063 10 20 IICD Cc1cc(-c2nc(Cc3cccc4cccnc34)no2)ccc1NC(=O)C1=S=CC=C1 570300278 ZBNWNRNLEKZVNA-UHFFFAOYSA-N 426.501 4.400 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCN(c2ccccc2)CC1 726719067 NAFQDJDHCGCROC-UHFFFAOYSA-N 444.526 4.179 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2F)C[C@@H](C)O1 728597808 SVXISRBHCDYNKS-MPCDZSKCSA-N 448.542 4.423 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 729037798 REHSKEJJBYHRLF-IXDOHACOSA-N 425.529 4.402 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c1 729063285 IMPQWLJRKXULRA-FIKGOQFSSA-N 440.540 4.312 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC3CCC(c4ccccc4)CC3)cc2)C1 731118920 DLBVCHCJIDXUAS-BOYUCYPVSA-N 448.611 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3csc(CNC(=O)OC(C)(C)C)n3)cc2)CC1 732767175 UPIDCSSCDZLQJT-UHFFFAOYSA-N 444.601 4.334 10 20 IICD COc1ccccc1S(=O)(=O)Nc1nc(-c2cc(Br)cs2)cs1 733731119 IVJHUQXSXAWUAI-UHFFFAOYSA-N 431.358 4.444 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 734663940 QMSGCCRFPKQUQV-UHFFFAOYSA-N 434.515 4.452 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(SC)cc1OC 741243911 ATVKXXOBMBSDCD-YBEGLDIGSA-N 441.596 4.272 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCc1nc(C)cs1 745800585 QLSMMAIIHIKXOP-UHFFFAOYSA-N 426.380 4.474 10 20 IICD CCOC(=O)N1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 748295873 UNXPTCUPTJTULZ-UHFFFAOYSA-N 436.508 4.138 10 20 IICD Cc1c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cccc1C(=O)N1CCCC1 748995827 WTEQUTYWHXJLLC-FQEVSTJZSA-N 437.540 4.150 10 20 IICD COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)s1 749007861 MIUXZYRWQLAXQF-UHFFFAOYSA-N 444.943 4.121 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cnn(C2CCOCC2)c1 749738370 VDSPHEXXRRKVIT-UHFFFAOYSA-N 444.582 4.038 10 20 IICD COC(=O)[C@]1(F)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 751939604 SEQPFFXRUBJDQR-QHCPKHFHSA-N 445.874 4.214 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c(C)o1 754692996 ACEZSNORKVWTKD-UHFFFAOYSA-N 446.428 4.318 10 20 IICD O=C(O)C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)cc(Cl)c1 756379158 KSCIZHQJLWDQNC-SFHVURJKSA-N 427.303 4.275 10 20 IICD C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(Br)cc(F)c1O 756456161 CCOAHPLPFSMXGH-XIKOKIGWSA-N 437.309 4.262 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1Br 758178108 HGHBVCHNAJEDIU-UHFFFAOYSA-N 437.250 4.053 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 760745641 MYHRLGMRWLKEKT-QHCPKHFHSA-N 436.943 4.160 10 20 IICD CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 761836702 QFTHTZNKVYXGOQ-UHFFFAOYSA-N 434.926 4.402 10 20 IICD Cn1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(-c2ccc3c(c2)OCCCO3)n1 768162603 RSSGNTASBJKIHY-JOCHJYFZSA-N 449.551 4.135 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(c1ccccn1)C1CCCC1)c2[N+](=O)[O-] 769724030 RHRHUTLGLUVTGB-UHFFFAOYSA-N 441.443 4.355 10 20 IICD CN1CCN(CC2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)CC1 772694253 UDZXZBGNMONMSS-UHFFFAOYSA-N 448.615 4.268 10 20 IICD COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3cc(OC)ccc3O)n2)cc1 775369294 MYXJQGQTNACLED-KGLIPLIRSA-N 427.526 4.211 10 20 IICD C[C@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(N(C)C)cc1 775412556 YNLHJGJBRMZSIH-RNODOKPDSA-N 437.487 4.380 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)CC2)cc1 776006276 HDNRQWQJBVYSGX-LJQANCHMSA-N 443.416 4.499 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)oc1C 776745635 MREZKBLGUNBZQR-UHFFFAOYSA-N 444.490 4.158 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 778585654 VJRNPRKLQUVCQC-SJLPKXTDSA-N 440.540 4.064 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CC1 780632072 GGMJYFGIOLEMKE-OFVILXPXSA-N 427.589 4.186 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c(OC)c1 785543164 JRSPAWDFEGWALI-UHFFFAOYSA-N 444.490 4.152 10 20 IICD CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 787880588 QUKOTGGJSLYEGE-IBGZPJMESA-N 425.573 4.154 10 20 IICD C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 788908164 BWCGLIJFXDPXDK-GQWLDOHISA-N 444.373 4.202 10 20 IICD COc1cccc([C@@H](C)CCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 789968582 STOMKNFANQQYCH-SFHVURJKSA-N 428.548 4.386 10 20 IICD CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 793120963 WOBQYMINPUKDQM-UHFFFAOYSA-N 443.906 4.463 10 20 IICD C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 798058545 CYIHUSVIVXVJKH-ONGXBYRLSA-N 444.373 4.202 10 20 IICD O=C(c1ccccc1Cl)c1cc(Cl)ccc1NCc1nnnn1CC(F)(F)F 799968066 VNNHQZMKSJFTOQ-UHFFFAOYSA-N 430.217 4.385 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc2Cl)C1 799994846 GWLZCPVOAKJDBQ-ROUUACIJSA-N 435.996 4.056 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC([C@H](O)C(F)(F)F)CC3)cc2Cl)C1 799995592 PCPXOSVXPCWLNI-KUHUBIRLSA-N 447.929 4.421 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1F 801015671 INZILKSLSLSMRK-QHCPKHFHSA-N 436.572 4.118 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 801639506 UHXRTWMYXCGIKA-KRWDZBQOSA-N 433.574 4.303 10 20 IICD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803662689 ZOFQPMUNMVOFOL-GFCCVEGCSA-N 426.319 4.034 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3cccc(Cl)c3)cc2)CC1 805025018 MWBZTIJDRGKHFA-GOSISDBHSA-N 427.976 4.412 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)n1ccc2ccccc2c1=O 806425563 HKSGVBDTRPQMKB-LJQANCHMSA-N 429.520 4.451 10 20 IICD Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O 806667391 XDSRBMSCZREEIV-UHFFFAOYSA-N 430.719 4.489 10 20 IICD CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Br)cc(Br)c2O)no1 810256304 XMLBMHFYFLRRPI-IUCAKERBSA-N 449.143 4.249 10 20 IICD CCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC(C)(C)C1 812066799 GWWMIRRSWCDRHU-AEFFLSMTSA-N 425.520 4.246 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@@H](O)c1ccc(Cl)cc1 814179720 XTNSDLYXBAOILQ-CQSZACIVSA-N 435.543 4.394 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 814284554 SJLSIDGYQAPLJI-NVEXJGOOSA-N 429.511 4.324 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2nc(C)oc2C)sc(C)c1-c1ccccc1 814502177 UJYRJNBNYYLDEK-UHFFFAOYSA-N 442.493 4.301 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccccc1OC(C)C 819518767 DKMHMDXKTOCLQW-UHFFFAOYSA-N 426.557 4.405 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCSc1ccccc1 824017732 VMTKIBVRUUWVTO-WOJGMQOQSA-N 442.566 4.400 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1NC(C)=O 915221678 GJHYQAKMPWIIOI-UHFFFAOYSA-N 437.930 4.231 10 20 IICD O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915722557 ITKIEESPMBOOGL-UHFFFAOYSA-N 449.555 4.192 10 20 IICD CCOC(=O)c1c(NC(=O)CS(=O)(=O)CC(C)C)sc(C)c1-c1ccc(F)cc1 915834444 JJNSUEWYYZAXHQ-UHFFFAOYSA-N 441.546 4.049 10 20 IICD CN(Cc1ccccc1Br)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 917073920 HWRNCAVBGHQOPQ-UHFFFAOYSA-N 430.390 4.138 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2F)C[C@@H](C)O1 917713640 TVILMMLIPBCYDC-GASCZTMLSA-N 448.922 4.184 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1792013924 GNBLLGHPHNHJPR-SFHVURJKSA-N 446.956 4.395 10 20 IICD CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1826338483 SKJVNBBJOVYUJV-GOSISDBHSA-N 436.980 4.421 10 20 IICD O=C(CSc1nc2ccccc2c(=O)n1CCCc1ccccc1)c1ccc(O)c(O)c1 24794342 VGLOUDBIDKISFA-UHFFFAOYSA-N 446.528 4.416 10 20 IICD Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)sc1C(=O)O 72079417 NENVCRBVNSHQCV-UHFFFAOYSA-N 430.429 4.365 10 20 IICD CCCCNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1 303138827 CMZNNMJOQWVVQM-UHFFFAOYSA-N 428.536 4.426 10 20 IICD COC(=O)c1nc([C@H]2CCCN2C(=O)NCc2c(C)c3ccccc3n2C)sc1C 472235738 BWAIQUQOSRNTDY-QGZVFWFLSA-N 426.542 4.085 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 486985132 NCVHKOLUTIZTMU-UHFFFAOYSA-N 443.569 4.309 10 20 IICD Cc1c(CNC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)n(C)c2ccccc12 582626130 KKQIFAOERSTGIC-UHFFFAOYSA-N 443.469 4.313 10 20 IICD CC(C)(C)c1nc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1 726502559 BJHGAPRJDSGATB-UHFFFAOYSA-N 427.492 4.226 10 20 IICD COc1cccc2c1OCC[C@@H]2NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726616211 KPSGHTXQABSBCY-IBGZPJMESA-N 447.482 4.088 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCc1nccn1C 728745931 NBDLSXYDYQGFKR-GOSISDBHSA-N 431.462 4.415 10 20 IICD CC(=O)c1csc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 730354481 FYXQZPKMHAORIM-UHFFFAOYSA-N 439.489 4.169 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 732227613 DKUXUZJIGUTAKU-NJYVYQBISA-N 435.612 4.319 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 732474388 CQKBEOBETNZQKM-KXBFYZLASA-N 435.565 4.235 10 20 IICD COc1ccc(O)c(CNC(=O)CCCCc2ccc(I)cc2)c1 734016180 FDYJBPGIEJMORK-UHFFFAOYSA-N 439.293 4.035 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 734701991 NQSYKYOYCLBMLK-UHFFFAOYSA-N 435.499 4.034 10 20 IICD CC(=O)N1CCC(COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 734888794 CCBRIXXXFACXBI-UHFFFAOYSA-N 433.346 4.272 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1cc(F)ccc1F 741086688 KZAWKZAOFYXNMB-NRFANRHFSA-N 434.506 4.196 10 20 IICD CN(c1ccc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1)C1CCCCC1 742416434 XWIRKCQUMNMUQJ-UHFFFAOYSA-N 435.568 4.499 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 743045546 OHESUPYOOCQXHE-UHFFFAOYSA-N 441.578 4.472 10 20 IICD COc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC1=S 743278992 CXDFWJQWLHDGKA-APSNUPSMSA-N 437.445 4.431 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 743719672 OAJDCJODSZWALM-UHFFFAOYSA-N 432.973 4.155 10 20 IICD C[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1 745058383 IFSRIQKSPDBCRU-OAHLLOKOSA-N 435.337 4.235 10 20 IICD COc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1O 745512142 ILQCEFXNVADUKR-FQEVSTJZSA-N 437.565 4.061 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc(F)c(Cl)c1 745626997 OWIBCJJMGUHDMM-CQSZACIVSA-N 429.879 4.141 10 20 IICD CCN(CCc1ccccn1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 746832930 KVROEUUCBLQZDN-OBGWFSINSA-N 445.635 4.216 10 20 IICD COc1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc(Br)c1OC 749187901 ANDFCGYOELITRD-UHFFFAOYSA-N 448.361 4.066 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 758414663 CUBMAUSIBHRQNS-BXUJETTOSA-N 443.546 4.037 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2nnc(S)o2)cc1 759902388 RNVRESKZMLZYDG-HNNXBMFYSA-N 446.479 4.026 10 20 IICD COc1cc(N2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)cc(OC)c1OC 761220028 SEPZQJVYIRIIOU-UHFFFAOYSA-N 442.947 4.078 10 20 IICD O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NCc1ccc(N2CC=CC2)cc1 761704204 BYUQDXUTTYFRNJ-UHFFFAOYSA-N 444.510 4.454 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 764268708 NRMGWBMECPSKJA-UHFFFAOYSA-N 446.551 4.190 10 20 IICD O=C(NCc1cccc(COCC(F)(F)F)c1)NCc1cccc(Br)c1O 764802058 XWDOVEDXFQYUGF-UHFFFAOYSA-N 447.251 4.233 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3CN3CCC(O)CC3)c2C)cc1 765453588 ZYLQXIBTQJCFNC-UHFFFAOYSA-N 433.552 4.312 10 20 IICD O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCc1cccc(Br)c1O 765737717 WXVYPVDUOFETCY-UHFFFAOYSA-N 435.318 4.200 10 20 IICD COc1cc(Br)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O 770378084 GNGLDRPDBFAURM-SWLSCSKDSA-N 429.355 4.041 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccccc1[N+](=O)[O-] 770881844 NAIQPVYYFBCKOG-UHFFFAOYSA-N 430.508 4.212 10 20 IICD C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(N(C)C)cc1 773010243 NIYXWGHHRXPUFR-QGZVFWFLSA-N 435.597 4.239 10 20 IICD O=C(NCCCSc1nccs1)N1CCc2cc(Br)cc(F)c2C1 775443170 OWBQZILZMDPAJQ-UHFFFAOYSA-N 430.368 4.295 10 20 IICD CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 776941640 XDEZRCFXIAMYOS-MBOZVWFJSA-N 425.520 4.150 10 20 IICD C[C@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)C1=O 777822735 KGOFMCBHWAZQPX-RTBURBONSA-N 430.504 4.296 10 20 IICD O=C(CCCCCc1ccc(I)cc1)NCc1ccc(O)c(O)c1 778918632 MCWMKDCWPUXUCC-UHFFFAOYSA-N 439.293 4.122 10 20 IICD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C 780347295 MRBZLCBHOLIEQX-NLFFAJNJSA-N 445.604 4.002 10 20 IICD COc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC 781349445 CLXDUZGQILJTFJ-OXQOHEQNSA-N 446.975 4.022 10 20 IICD O=C(COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(O)c(O)c1 783863615 GFUPTVISBGOLFT-UHFFFAOYSA-N 435.219 4.027 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)C2CCCCC2)cc1 784057714 BXPCNHABIZBPSR-UHFFFAOYSA-N 431.496 4.156 10 20 IICD Cc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C2CC2)cc1 785820833 PHZLCLXZHIDTMG-VWLOTQADSA-N 445.563 4.450 10 20 IICD COc1cccc(O)c1CN(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 785991424 LMRDTOFKOOTIMJ-INIZCTEOSA-N 436.346 4.353 10 20 IICD COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C 789725722 AEFWTWUPUPKJIG-UHFFFAOYSA-N 446.476 4.047 10 20 IICD O=C1CSc2ccc(NCc3cc(Br)ccc3O)cc2N1CC(F)F 790619167 NFSOHMYLJZWLJZ-UHFFFAOYSA-N 429.286 4.471 10 20 IICD CN1C(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)c2cc(Br)cnc21 794881658 XPFALNKUVYQLRO-SOFYXZRVSA-N 429.705 4.259 10 20 IICD COc1cc(Cl)cc(CNc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1O 798277027 UTDDABPBERYPAN-INIZCTEOSA-N 433.936 4.443 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(Br)cc(F)c1O 798940284 SCLJZZCHCGZLOV-KZULUSFZSA-N 437.309 4.385 10 20 IICD CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 799186948 KKMDKFCRLAOWIM-UHFFFAOYSA-N 427.551 4.366 10 20 IICD Cc1cc(N2CCC(NC(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)CC2)n[nH]1 799978306 BRRQDQNBILCHCA-INIZCTEOSA-N 445.011 4.076 10 20 IICD CCCCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)Cc1ccccc1O 801595661 PRLHZEYAMNEVSL-BGYRXZFFSA-N 425.573 4.247 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 807506350 VOZYQSYJEOLCRW-IFMALSPDSA-N 425.548 4.081 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1 812858917 FAYWYZMWSYIMPA-JKSUJKDBSA-N 442.453 4.216 10 20 IICD COc1cc(O)c(CN2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 816633409 AYOJMMGMZPVOJA-ROUUACIJSA-N 434.577 4.269 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)SC1=S 817916215 BYIBAFAGNVRKLZ-GDNBJRDFSA-N 434.520 4.389 10 20 IICD O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456678 MHDQUKYKVWBZMU-UHFFFAOYSA-N 446.391 4.420 10 20 IICD COc1cc2c(cc1CNCc1ccc(N3CCOCC3)cc1C(F)(F)F)O[C@H](C)C2 916835375 WSRZDDZBMRTWBU-OAHLLOKOSA-N 436.474 4.164 10 20 IICD C[C@H]1CN(c2ccc(CNc3cc(C(=O)NC4CC4)c4ccccc4n3)cc2F)C[C@H](C)O1 917087352 ZYQCASGZQBTTDZ-IRXDYDNUSA-N 448.542 4.492 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3Br)cc2F)C[C@@H](C)O1 917715212 ZOCFBULSLAWZGQ-BETUJISGSA-N 439.300 4.271 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 917869374 OXHLREYYTAEZBL-UHFFFAOYSA-N 443.506 4.166 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(Cc2cccc(F)c2)CC1 918221258 SPZAKQOZJUZGEV-UHFFFAOYSA-N 443.538 4.090 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 918428976 GHMIJFQJFATGRP-UHFFFAOYSA-N 425.863 4.043 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)CC1 920472452 MHZBHKYDWQNLQO-LDADJPATSA-N 429.523 4.150 10 20 IICD COc1ccccc1C1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCC1 920867700 XQGCLBXJNYLNSC-FQEVSTJZSA-N 437.584 4.404 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccc(OC)cc2OC)cc1 1318410733 ONCMVBUPRSSKPX-HHHXNRCGSA-N 448.563 4.428 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C23CC(F)(C2)C3)cc1 1793656450 WKUZYNKCAXEMLJ-ANOCDLICSA-N 435.543 4.238 10 20 IICD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)ccc1O 1845356067 JUFBBCTTYBMMSA-UHFFFAOYSA-N 443.547 4.239 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)CC2)cc1 108427988 OAVQLXJYENVNNB-UHFFFAOYSA-N 430.552 4.031 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3-c3nc(C(C)(C)C)no3)CC2)cc1 111165737 NOWKAKCCYPKYEY-UHFFFAOYSA-N 434.540 4.442 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1nc(C2CC2)cs1 195651771 HZNMLTQALDTHHL-UHFFFAOYSA-N 426.464 4.198 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2Br)cc1 302663183 ZWYXTLZGWZOMQG-SFHVURJKSA-N 435.337 4.476 10 20 IICD Cc1ccc(-c2ccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)c(F)c2)cc1 303270131 FREVHKPDPXGDSD-UHFFFAOYSA-N 438.524 4.288 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)cc1F 303317198 HBNAXHYMLVWBOG-LJQANCHMSA-N 428.552 4.006 10 20 IICD CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc3c(c1)c(C)c(C)n3CCOC)C(=O)N2 561957658 IFHGFEPKTQQHQC-HXUWFJFHSA-N 433.552 4.323 10 20 IICD Cc1ccc([C@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)N2CCOCC2)cc1 726103250 QMELKNVVVQDTNP-DEOSSOPVSA-N 449.551 4.079 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccc(OCC(C)C)cc3)CC2)cc1 730127147 JCVCJSIZSNSSRA-UHFFFAOYSA-N 425.573 4.241 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)CC1 731048033 DDZRSIPHVQXJSG-UHFFFAOYSA-N 435.568 4.433 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(Cl)c3)SC2=S)cc1 731501133 ZCDSGSAJOXTZQQ-ZSOIEALJSA-N 440.880 4.446 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 734404969 MOCZAYCLGJOREQ-UHFFFAOYSA-N 428.536 4.306 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc2c1OCO2 743282410 LXIIMGZZACARBO-FNHQQPGVSA-N 427.503 4.149 10 20 IICD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 744474385 TWGGWZZLRFEAFL-AWEZNQCLSA-N 445.496 4.368 10 20 IICD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 747757242 FQEDADZCLOXHSV-QGZVFWFLSA-N 446.389 4.235 10 20 IICD Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)NCc3ccccc3O)cc2Cl)n1 748444542 SLSFUJHSUPBUJG-OAHLLOKOSA-N 441.919 4.380 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)cc1 753044989 DPIXVBGIWWYYHJ-UHFFFAOYSA-N 448.317 4.027 10 20 IICD COc1ccc(NC(=O)C2(NCc3cc(Cl)cc(C(C)=O)c3O)CCCC2)cc1OC 754668444 OPQYJJGQTSAIQE-UHFFFAOYSA-N 446.931 4.307 10 20 IICD CC(=O)N1CC[C@H](CN(C)CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 755044396 GENWYYOMLGRBCY-GOSISDBHSA-N 435.490 4.096 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 760147977 NGIFUQWUGOBNCG-UHFFFAOYSA-N 431.334 4.233 10 20 IICD Cc1nc([C@H]2CCCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)C2)n[nH]1 761076119 WWRKCDUNKGOZDC-INIZCTEOSA-N 442.361 4.303 10 20 IICD CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2cc(OC)ccc2c1 765979812 UOXGCHWYDXTASW-RUZDIDTESA-N 438.593 4.324 10 20 IICD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc2ccsc12 767067057 HMFMZSKLHMMYAL-UHFFFAOYSA-N 447.539 4.087 10 20 IICD NS(=O)(=O)c1ccc(CCSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 767199409 KCWYYQGSNSMDQU-UHFFFAOYSA-N 439.562 4.174 10 20 IICD OCCN(Cc1cc(Br)ccc1F)Cc1cccc(Br)c1O 769224848 YZPHLOPCABWEJM-UHFFFAOYSA-N 433.115 4.051 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 773739912 GVNFMQHREWJKIN-OAHLLOKOSA-N 439.895 4.108 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCN1C(=O)COc2ccccc21 777826831 SFPOGOXGBFXQDL-IBGZPJMESA-N 430.504 4.298 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4c(F)cccc43)cc2F)C[C@@H](C)O1 778621379 VRWCUICNIMOXOD-WHSLLNHNSA-N 445.510 4.292 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(COc4cccc(F)c4)c3)c2)CC1 781045808 QJNXSIRHWVIUPZ-UHFFFAOYSA-N 447.510 4.326 10 20 IICD COC(=O)c1scc(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483214 PENOXKKITZOYLO-OAHLLOKOSA-N 437.521 4.158 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1C 785192373 LGYNANNWKGCMNH-UHFFFAOYSA-N 425.710 4.104 10 20 IICD Cc1ccc([C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 792295545 WEVZZBIZIIHHHN-RUZDIDTESA-N 430.552 4.158 10 20 IICD C[C@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800505304 JYBBAVWMNPTIOL-CYFREDJKSA-N 437.971 4.430 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806806144 JDKLTUXYAGCMRN-UHFFFAOYSA-N 427.524 4.254 10 20 IICD COCC1(CN[C@H](C)c2cc(Br)cc(Br)c2O)CCOCC1 813876286 VWPRKMSSNKYIDQ-LLVKDONJSA-N 437.172 4.011 10 20 IICD CCN(CC)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCC(N)=O)cc1 837497555 BLHOIWXNEHIBJN-MNDPQUGUSA-N 442.563 4.173 10 20 IICD N=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3CCCCC3)c(Br)c2)N1 877843575 SLSFCOKAGAMGFO-GOSISDBHSA-N 425.334 4.286 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 913075100 KRKKDAOGVTVEHU-UHFFFAOYSA-N 439.902 4.490 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3N3CCCC3)cc2F)C[C@H](C)O1 916670639 ZUSLEXNXDFLIPU-ROUUACIJSA-N 426.536 4.361 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cc3F)cc2F)C[C@@H](C)O1 917713499 RNWALHKYTOLVEZ-BETUJISGSA-N 439.300 4.271 10 20 IICD C[C@@H](COc1ccccc1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 917776120 JVNQHVFHIBKJRU-LUJRCDHRSA-N 446.619 4.313 10 20 IICD COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1OCC(C)C 918139464 DSLJNDOWACWLIO-QZTJIDSGSA-N 444.547 4.413 10 20 IICD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294897 MKWBPZMTFGIWNH-JOCHJYFZSA-N 442.515 4.110 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 918311345 VYCLIQTUGVWEEZ-UHFFFAOYSA-N 438.572 4.115 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)cn4)C3)c2C)cc1 918626849 PKABFDHKMNRQGF-HXUWFJFHSA-N 446.551 4.297 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 919749386 QPYPNRIPBQJLCZ-UHFFFAOYSA-N 439.512 4.479 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1Cc1ccccc1Cl 919907736 LCELBATWCZUYAM-IBGZPJMESA-N 445.966 4.357 10 20 IICD CN1CCN(c2ccc(CN3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)cc2F)CC1 1116442785 PMGDFXLCABTFHQ-UHFFFAOYSA-N 449.492 4.090 10 20 IICD CCOC(=O)c1cnn2c(-c3nnc(-c4cc(C)n(-c5ccccc5)c4C)o3)ccnc12 1261425768 LSGRNVAODCYHMG-UHFFFAOYSA-N 428.452 4.031 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccc(F)cc2n1 1317897817 HFRJQUYAXZAYPW-UHFFFAOYSA-N 447.432 4.468 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(Cc2cscn2)no1 1320478202 KTJITGZOMVBLTH-MDWZMJQESA-N 434.593 4.012 10 20 IICD CCCCCCn1nc(C(=O)Nc2c(Cl)ccc3nonc23)c2ccccc2c1=O 1323481383 AOAHEFLOSNOZJY-UHFFFAOYSA-N 425.876 4.419 10 20 IICD CC(C)Cn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1ccco1 19056020 PXDORNRBZUXZNT-UHFFFAOYSA-N 427.574 4.011 10 20 IICD COc1ccc2cc(/C=C/C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 19355815 XBUVLKVADAIGLJ-RIYZIHGNSA-N 432.520 4.129 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc21 483610339 YGWFTQILZHREMF-UHFFFAOYSA-N 439.600 4.206 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 727477587 IKZRIVSCRHGVAJ-ZHRRBRCNSA-N 447.938 4.160 10 20 IICD C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 728178403 HKNMVQDHUKLOOL-FQEVSTJZSA-N 448.538 4.337 10 20 IICD COc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 730823457 LEFOPOOYALOOHA-HUUCEWRRSA-N 435.927 4.101 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 731058793 ATIDRPRVVCZTJZ-UHFFFAOYSA-N 449.985 4.333 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)cc1F 731408536 PETDENNDYMUPBK-UHFFFAOYSA-N 444.507 4.189 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCSC[C@H]3c3ccccc3)cc2F)C[C@@H](C)O1 734660001 JDCGHDXRWMJUBB-IXFSTUDKSA-N 443.588 4.439 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccsc1 736141160 BZYLQXQXVRFFCR-QPEQYQDCSA-N 439.381 4.351 10 20 IICD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)C1 741099576 GEGDNWHLPKQKAP-NBGIEHNGSA-N 447.579 4.413 10 20 IICD CCOc1ccc(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c(O)c1 742388015 NINAJXNSTVMPTM-XMMPIXPASA-N 425.550 4.382 10 20 IICD C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1nc(Cc2ccccc2)no1 744474515 ULCQGIUAWGFTSQ-OAHLLOKOSA-N 438.439 4.354 10 20 IICD Cc1ccc([C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 745665150 QLLMCKLWESERHS-LSDHHAIUSA-N 431.444 4.037 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)COc1ccc(F)cc1F 745767421 KGAMPUJBNNQNTL-LBPRGKRZSA-N 443.288 4.432 10 20 IICD CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 746776568 GUATUJQNKMUKPU-SFTDATJTSA-N 431.964 4.039 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 749118559 PKOUIQGPGHVXNP-UHFFFAOYSA-N 446.554 4.094 10 20 IICD O=C(COC(=O)c1ccc(-n2cnnc2)cc1)Nc1ccc(N=Nc2ccccc2)cc1 750618943 GVGFEJRDMUEBEQ-UHFFFAOYSA-N 426.436 4.478 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccccc1OC(F)F 751919000 KBSVDTVJQRHPJN-GFCCVEGCSA-N 447.463 4.102 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754158306 CLDPEEHDTJITQV-UNMCSNQZSA-N 429.561 4.098 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2cc(Br)cc(F)c2O)cc1 756359254 OTHALFNRDZWQFB-FOIQADDNSA-N 437.353 4.326 10 20 IICD CC(=O)Nc1cccc(OCCN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756680698 ARVKJKJIWLLHLR-LLVKDONJSA-N 427.726 4.496 10 20 IICD C[C@@H](C(=O)Nc1ccc(N[C@H](C)c2cc(Br)ccc2O)cc1)n1cncn1 756849670 DTDUAOJPNCVBSF-OLZOCXBDSA-N 430.306 4.119 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 756864275 VHNBKPGJPBONNG-QWHCGFSZSA-N 429.355 4.053 10 20 IICD COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1ncc(C(C)(C)C)s1 759713196 HHQZSBAVRIOGMS-UHFFFAOYSA-N 449.642 4.263 10 20 IICD Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 761104157 DPOWNCRSUKVZRJ-UHFFFAOYSA-N 428.602 4.141 10 20 IICD CN(c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1)C1CCCCC1 762275806 QYEPJJSJSBYEDP-OAQYLSRUSA-N 426.605 4.046 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(c2ccc(F)cc2Cl)CC1 765783425 NXFJMUDUKKWEFF-UHFFFAOYSA-N 449.929 4.110 10 20 IICD Cc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1C(C)C 777585758 KUCVDUODDNXUBH-ZDUSSCGKSA-N 434.521 4.062 10 20 IICD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 779525595 LUOCBHGRSXPGDX-ZSOIEALJSA-N 439.489 4.336 10 20 IICD COc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)cn1 780142055 AVQPMHCXDYNUMR-ZSOIEALJSA-N 426.441 4.390 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(C(=O)c4cccc(OC)c4)cc3)CC2)cc1 780418648 ZYGLDAOHSHNXTJ-UHFFFAOYSA-N 444.531 4.287 10 20 IICD O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnc(-c2ccccc2)nc1 780704361 SVHFDRUSWMFFSI-UHFFFAOYSA-N 430.461 4.346 10 20 IICD CSCc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 782558089 KAPCXVCACNFITD-IRXDYDNUSA-N 431.577 4.302 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)Nc1ccc2c(c1)OCCO2 784486734 OJWXUIXALUKPBO-UHFFFAOYSA-N 433.420 4.374 10 20 IICD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccncc1Cl 791493402 JMHVXHZFVGHWPJ-UHFFFAOYSA-N 440.238 4.204 10 20 IICD Cc1ccn(-c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc2)n1 792968441 JPDVSZHHTCPXPD-UHFFFAOYSA-N 445.567 4.205 10 20 IICD CO[C@@H]1CCC[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 793570547 GCYIEEZZJODMRL-IOMROCGXSA-N 433.593 4.030 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 793781746 HPCTXGODDIDBPW-IBGZPJMESA-N 439.453 4.050 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(Cc2cncs2)no1 796131427 RFPYBTOLBSMWGK-QPEQYQDCSA-N 434.593 4.012 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)cc2F)C[C@H](C)O1 798057212 JCJSVSDFHJHCQM-CAMMJAKZSA-N 429.511 4.324 10 20 IICD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 799519997 DFHCXLXSRAUEBK-UHFFFAOYSA-N 427.463 4.378 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)CCNC4=O)c3C)c2C)c1 800634300 GWPIVCBJQDZKPT-UHFFFAOYSA-N 430.508 4.410 10 20 IICD C[C@@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800996192 OIGTWEMRYIZOKX-IEBWSBKVSA-N 428.964 4.134 10 20 IICD COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3Cc3cccs3)CC2)cc1F 802700914 BERZFYZJFAEFKS-UHFFFAOYSA-N 429.565 4.160 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 803029613 AMORCHFICSJPTF-AVRDEDQJSA-N 435.545 4.443 10 20 IICD CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O 804159481 KZQUBPZCVYIBQG-HSZRJFAPSA-N 427.932 4.175 10 20 IICD C[C@@H](NC(=O)c1nc(Br)sc1C1CC1)c1ccc(N2CCOCC2)cc1 806614654 ZRXHDEHRXSZAJZ-GFCCVEGCSA-N 436.375 4.111 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2ccc(OC)cc2)s1 808863493 DHLNWNPBHXSLNV-UHFFFAOYSA-N 438.549 4.184 10 20 IICD COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCO3)CC2)cc1 812443292 KNNFAMFOHIBWNX-QFIPXVFZSA-N 441.620 4.161 10 20 IICD COC(=O)CCSc1cc(Cl)ccc1NCc1ccc(N2CCN(C)CC2)cc1 864018445 UWPFBQIGFSESFR-UHFFFAOYSA-N 434.005 4.359 10 20 IICD CCCCOc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 916391249 APZCXQOOPFKEGN-UHFFFAOYSA-N 443.613 4.427 10 20 IICD O=C1/C(=C/c2cnn(-c3ccc(Br)cc3)c2)SC(=S)N1c1cccnc1 917144534 HOPHKVGPAXJKAG-PXNMLYILSA-N 443.351 4.436 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCc3cc(C(F)(F)F)ccc32)c1 917472195 QNILLNIRBDHBFA-UHFFFAOYSA-N 448.485 4.399 10 20 IICD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220988 PBEHTPXEAPKPTC-UHFFFAOYSA-N 440.346 4.435 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918308010 BWXTUCGXXZEYII-UHFFFAOYSA-N 443.547 4.096 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)s1 919568938 QSVBKGSBJRSJJY-AWEZNQCLSA-N 430.551 4.281 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1 920190489 IWMPBFCOQIVOMI-UHFFFAOYSA-N 432.524 4.283 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)ccc21 1116047621 FDSGSJDWNHMTFV-MRXNPFEDSA-N 431.577 4.280 10 20 IICD Cc1cc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)o1 1318057101 HMQROBFZZXXHNW-CQSZACIVSA-N 425.451 4.312 10 20 IICD COc1cccc(N2CCC(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)c1 1338726398 OIZYKQOBGARXJF-UHFFFAOYSA-N 436.600 4.400 10 20 IICD Cc1cc(-c2nnc(N3CCCOCC3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1 1347442300 MULZNOWUDFMCLQ-JOCHJYFZSA-N 435.572 4.148 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 195700718 SKOGRLLWCUOUTQ-UHFFFAOYSA-N 448.894 4.268 10 20 IICD OCC1CCN(c2ccc(CNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)cc2)CC1 301206297 QGVFLXDRGDWJDN-UHFFFAOYSA-N 443.473 4.378 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCCN(C(=O)c4ccsc4)CC3)cc2)CC1 303399977 QSBXKRMCMNRYQK-UHFFFAOYSA-N 440.613 4.042 10 20 IICD Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c(C)n1-c1ccccn1 728554706 YNKSIQKCHYTWKH-UHFFFAOYSA-N 439.523 4.378 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3nc(C(C)(C)C)cs3)cc2F)C[C@@H](C)O1 729506809 RTETWPIWFWCNKO-IYBDPMFKSA-N 448.608 4.235 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729878719 WDMUCNLOZDTQDC-UHFFFAOYSA-N 429.389 4.499 10 20 IICD COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 730173577 ILYWWZUTINELMT-SAPNQHFASA-N 448.485 4.356 10 20 IICD Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(F)c2)cc1 730175648 SEKRNCJSMCVODT-JOCHJYFZSA-N 445.538 4.433 10 20 IICD COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)c(C)c12 731017077 VDCHHWOFSWUXTG-UHFFFAOYSA-N 449.599 4.079 10 20 IICD Cc1cnc(-c2cccc(NC(=O)C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)c2)o1 731406347 VAWVWGSXIQRPAW-UHFFFAOYSA-N 442.519 4.355 10 20 IICD COc1ccc2cc(CN(C)Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)ccc2c1 732514558 BLBYGYXWDIOPKX-UHFFFAOYSA-N 448.563 4.221 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 742041268 LPFTYONXZAUVLS-JOCHJYFZSA-N 445.604 4.051 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccc(C)cc3)CC2)cc1 743708803 JZDWDGYZPVTTAG-OFVILXPXSA-N 437.584 4.440 10 20 IICD CCC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745452468 WCBBIJXIIFPIQN-GOSISDBHSA-N 446.498 4.105 10 20 IICD CC1(C)CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21 746969835 OMVZFAOJPSNYJD-AUSIDOKSSA-N 434.584 4.000 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 747456044 KKOYPLBRDBPBIE-IBGZPJMESA-N 449.389 4.489 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)c2C)c1 749352106 IQBYCHGMMICROF-UHFFFAOYSA-N 437.569 4.053 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCC[C@H](N4C(=O)c5ccccc5C4=O)C3)CC2)cc1 751599429 CWUIXKARAQUCHC-IRLDBZIGSA-N 447.579 4.251 10 20 IICD CC(C)[C@H](CNC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1 751930974 LRWBGKCWFIXBLW-FQEVSTJZSA-N 437.565 4.029 10 20 IICD C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)cc1 751978033 CQKLAYUPGSHTQK-ZDUSSCGKSA-N 448.894 4.235 10 20 IICD O=C(CCCc1nc(O)c2ccccc2n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754547693 HZDZNICOXFWFME-UHFFFAOYSA-N 437.455 4.072 10 20 IICD C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)cc(F)c1O 756475321 ODHOZDFLHKIVEJ-BFUOFWGJSA-N 441.316 4.157 10 20 IICD CC(C)COC(=O)N1CCC(NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 756896681 PTQYMFJFKNIRBM-UHFFFAOYSA-N 425.520 4.103 10 20 IICD O=C(NCCc1ccccc1OC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 757245442 BGWKPTHFVBXRIK-SFHVURJKSA-N 438.446 4.224 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C)CCC4)n2)c1 761836674 PMQVZTQJAJPWMD-UHFFFAOYSA-N 445.566 4.011 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccnc2OCC(F)F)cc1 764512657 CPECKDRLRQGKPV-UHFFFAOYSA-N 444.482 4.297 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 765779350 VPVDKXZVMIWAFM-FQEVSTJZSA-N 429.630 4.356 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC1CC(OCc2ccccc2)C1 766109998 ZHZFAIKZLVBYDN-UHFFFAOYSA-N 445.510 4.304 10 20 IICD Cc1ccc([C@@H](C)N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 769671390 JDYYOGRNKQLHNE-OAHLLOKOSA-N 430.551 4.396 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771060073 TVNWFTDDCWIIAN-MAUKXSAKSA-N 432.923 4.174 10 20 IICD CCN(C)c1ccc([C@@H](C)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 772967801 WPRMYAKKNYFTMT-LJQANCHMSA-N 439.600 4.176 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 773739910 GVNFMQHREWJKIN-HNNXBMFYSA-N 439.895 4.108 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 775437477 CGXMKLGYJQBFCP-LPHOPBHVSA-N 433.503 4.143 10 20 IICD COc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC(=O)C1CC1 776153646 BVSFYDIZFJPHIZ-UHFFFAOYSA-N 446.494 4.371 10 20 IICD COc1cccc([C@H]2[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC(=O)N2C2CC2)c1 776469558 PVFHLJLRCAOSQC-RSXGOPAZSA-N 447.579 4.054 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)CC2)cc1 779136974 IVCSUSNOQXSMFD-UHFFFAOYSA-N 430.499 4.318 10 20 IICD C[C@@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)c1ccc(N2CCOCC2)cc1 779872595 CSWFHIDYXBIQAH-MRXNPFEDSA-N 425.529 4.201 10 20 IICD CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 781623724 HIVIPRACOBBJDP-UHFFFAOYSA-N 437.359 4.095 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccc(N)cc1 783482870 LVYMERFNCNLMAT-AWEZNQCLSA-N 428.414 4.416 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 786260455 WUASNLQHWNUHGV-UHFFFAOYSA-N 441.575 4.194 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1 788977888 NSFPHVLHXTWSTE-UHFFFAOYSA-N 439.581 4.341 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1-n1cccn1 793577425 KRDWMNCNSCMTEF-MRXNPFEDSA-N 430.430 4.012 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)c3nnc4ccccn34)cc2Cl)C1 799860809 GSYDURHCWPEYMN-JKSUJKDBSA-N 426.952 4.179 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3C(=O)c3ccco3)cc2Cl)C1 800046903 DNHAMSBMPZHYJO-DYESRHJHSA-N 443.975 4.480 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 802610281 YJCZCDLOSHXFTQ-UHFFFAOYSA-N 435.480 4.005 10 20 IICD CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 803687162 WGKPALDZNLHHFK-UHFFFAOYSA-N 427.548 4.011 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1F 804851799 PJWCXRWEQUIENN-UHFFFAOYSA-N 443.544 4.172 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(OC2CCCCC2)cc1 807387394 IUWRZPLFEQQQII-UHFFFAOYSA-N 447.329 4.121 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)cc1 807678227 AKOGCDBNLQLWBD-RUZDIDTESA-N 444.579 4.100 10 20 IICD O=C(NCc1csc(-c2ccco2)n1)C(=O)N(Cc1ccccc1O)C1CCCCC1 808444461 OAAZNQATEOJZLR-UHFFFAOYSA-N 439.537 4.086 10 20 IICD C[C@H](NC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 814321326 JNMYMRHFPIUAJJ-FQEVSTJZSA-N 444.579 4.361 10 20 IICD CC(=O)Nc1cccc(OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914324117 OHULIJPEIDNEBG-SFQUDFHCSA-N 446.575 4.294 10 20 IICD COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 917718002 BLQZIPZXJLWUPA-UHFFFAOYSA-N 425.466 4.455 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCSc4ccccc43)cc2F)C[C@@H](C)O1 918184967 VRDRTBDCKRRGIF-JXXFODFXSA-N 429.561 4.476 10 20 IICD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1Br 918310816 QJDXIVFFVYNNBZ-UHFFFAOYSA-N 444.373 4.345 10 20 IICD CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 919982937 BCKQEXYKQBIKFX-UHFFFAOYSA-N 431.945 4.216 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1318522040 FCIDOQYRVJRVFT-UHFFFAOYSA-N 426.561 4.085 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 1320508443 WLILLSFZEKGZGD-OAHLLOKOSA-N 426.513 4.185 10 20 IICD CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1799712153 YWPYFOIOBUAVAN-REPLKXPHSA-N 442.943 4.440 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCCC1)c1cc(O)c(O)c(Cl)c1 1800123311 YDVBCDCANDTMMP-RGKVLUKRSA-N 432.948 4.140 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1OCc1ccccc1 26902758 AKMBWSPDKYSRCV-UHFFFAOYSA-N 432.520 4.147 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1F 116151144 RQKPRLWFHYGTIT-LJQANCHMSA-N 438.330 4.120 10 20 IICD COc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 237378678 NALBTJSDTMQPEG-UHFFFAOYSA-N 446.473 4.231 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 541993940 GYBRUTGPEXBTFY-UHFFFAOYSA-N 449.536 4.192 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 560843429 KUMIBGJZMJOMTI-QGZVFWFLSA-N 442.581 4.189 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CC(=O)N3CCCCCC3)C(C)C)ccc21 672318410 FRABYSDLUUYUCJ-UHFFFAOYSA-N 427.589 4.158 10 20 IICD CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726565437 NPGHDXPBPOYKSP-UHFFFAOYSA-N 437.468 4.317 10 20 IICD CCN(C(C)=O)c1nc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cs1 728637329 JRXUDTGNVNAHSH-UHFFFAOYSA-N 429.542 4.091 10 20 IICD COc1ccccc1SC[C@H](C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 728950658 XIJREBHDTMACJI-MOPGFXCFSA-N 443.613 4.320 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1 729482232 SDRCAAVLAFGZFE-UHFFFAOYSA-N 441.956 4.104 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 730134133 PBCPUNWZKZFNSG-INIZCTEOSA-N 431.964 4.327 10 20 IICD CCN1CCN(c2ccc(NC(=O)NCc3ccc(N(CC)CC)c(F)c3)c(C)c2)CC1 731362111 QTZUXTUKZSKYBT-UHFFFAOYSA-N 441.595 4.444 10 20 IICD O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cc(O)cs1 731910534 SJCSQIWJCINJRJ-INIZCTEOSA-N 430.869 4.235 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1cccc(Br)c1 733840140 YABIQHLCIYLKPH-IMFGXOCKSA-N 432.314 4.150 10 20 IICD CN(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(F)cccc1F 734675707 LLLXJWYUEDOFEO-FQEVSTJZSA-N 429.467 4.278 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCC(O)CC4)cc3)c2C)cc1 735933921 GNNNERDZFCAHTC-UHFFFAOYSA-N 446.547 4.403 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccccc2OCCn2ccnc2)cc1F 740450240 QMGVALOXTSRBKT-UHFFFAOYSA-N 425.508 4.269 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)c2C)cc1 740827748 CFDCOEVGACDYEP-OPAMFIHVSA-N 441.572 4.478 10 20 IICD Fc1cc(CNc2nc(-c3ccccc3)ns2)ccc1N1CCN(c2ncccn2)CC1 742396404 SREQQFBXUWFSFM-UHFFFAOYSA-N 447.543 4.073 10 20 IICD CCc1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742750022 LJMQCLFEDNCFNT-QFIPXVFZSA-N 425.573 4.240 10 20 IICD COCCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 742802406 XXQAONUSSHLDSW-QGZVFWFLSA-N 443.494 4.288 10 20 IICD Cc1nc2cc(F)cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2nc1C 742804814 BPVUOBMGUBYHRO-INIZCTEOSA-N 444.457 4.386 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccn(Cc2ccccc2)c1=O 743809295 PGBVCICNKAYAKL-UHFFFAOYSA-N 441.325 4.027 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccccc1O)C1CCCCC1 745648417 MAZNJCRXVXFGDJ-UHFFFAOYSA-N 441.547 4.412 10 20 IICD COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H](C)c1ccccc1 746215658 KMSJJBZGYQZCGG-HSALFYBXSA-N 443.563 4.359 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c([N+](=O)[O-])c1 749010410 LKYVGQLFJMADDU-UHFFFAOYSA-N 441.437 4.114 10 20 IICD CC(C)n1cnc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 753918560 JWIZKUYZYOAHMD-UHFFFAOYSA-N 427.349 4.151 10 20 IICD C[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 756049298 JCTKCZAGBOKOBE-KRWDZBQOSA-N 425.614 4.059 10 20 IICD C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(Br)cc(F)c1O 756479545 MWOJDOHFEZSJIT-VIFPVBQESA-N 446.114 4.346 10 20 IICD C[C@@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cc(Br)c(F)cc1O 756845020 OBUUAPRRZZEVBY-CYBMUJFWSA-N 437.357 4.392 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc(-c2cccc(Cl)c2)ns1 758051127 CPQUBAJWOMKJTI-UHFFFAOYSA-N 429.933 4.017 10 20 IICD C[C@@H](O)C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 759573572 MSAQEMKAAQKVOQ-MJGOQNOKSA-N 447.526 4.111 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O 760066725 RPBHTSWTHIBKIZ-UHFFFAOYSA-N 433.549 4.025 10 20 IICD O=C1/C(=C/c2cccc(-n3cccn3)c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 760217535 WXSUCATUQCBVKZ-QNGOZBTKSA-N 449.557 4.087 10 20 IICD COc1cc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OC(C)C 761031622 MLTVBKMGUMCLHU-CQSZACIVSA-N 432.904 4.367 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 763165162 PZQAEWFKMMOXIH-QFIPXVFZSA-N 425.964 4.461 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(COc2cccc(Br)c2)o1 763278867 GIDSZTDYLTXEMX-ZDUSSCGKSA-N 446.297 4.393 10 20 IICD CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)CC1 765791178 YSESQSIHJCPUGZ-FQEVSTJZSA-N 440.607 4.296 10 20 IICD CCS(=O)(=O)c1ccc2oc(CN3CCCc4cc(OC(F)(F)F)ccc43)nc2c1 766845139 GAUKTHKIUYYEBZ-UHFFFAOYSA-N 440.443 4.473 10 20 IICD COc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)ccc1N1CCCC1=O 777543888 GFRRFZWTRDIGKB-INIZCTEOSA-N 429.948 4.485 10 20 IICD COc1ccc(C[C@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC 781349426 CLXDUZGQILJTFJ-JXFKEZNVSA-N 446.975 4.022 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782579351 PUFIRJJFWGZDOI-UHFFFAOYSA-N 428.945 4.093 10 20 IICD Cc1cc(-c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3c(C)noc3n2)c(C)s1 782636868 MOKZAANWAIKFSN-UHFFFAOYSA-N 438.461 4.327 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1OC 783486241 NWJZBCKTIYRKRX-QGZVFWFLSA-N 433.508 4.409 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 784028663 YXIVSFNXBUNGCM-JOCHJYFZSA-N 446.551 4.200 10 20 IICD Cc1ccc(Br)nc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 786624396 QGFGMLCRBGNYJI-UHFFFAOYSA-N 430.268 4.423 10 20 IICD COC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 786713383 GHTGOPTUJFEGSG-UHFFFAOYSA-N 448.504 4.104 10 20 IICD CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)sc2C1 789553228 KTMSJNLWNCTOOG-OAHLLOKOSA-N 441.597 4.133 10 20 IICD CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 789921671 POROYXUXENEELA-OAQYLSRUSA-N 425.916 4.047 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3ccsc3Cl)SC2=S)c1 790106862 YEFDMOFBCSJGGG-JYRVWZFOSA-N 445.012 4.058 10 20 IICD C[C@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ccc(N2CCOCC2)cc1 790513442 JSBHBLBCKCOFPF-SFHVURJKSA-N 435.499 4.127 10 20 IICD COc1cc(OC2CC2)ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 790566027 ZCSYASFIUNPFFV-UHFFFAOYSA-N 432.467 4.237 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 798501501 JZGIZRGUBDIZJG-QHCPKHFHSA-N 438.528 4.115 10 20 IICD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 807002791 PUVCZTJFHPSRGO-CQSZACIVSA-N 445.445 4.062 10 20 IICD Cc1cnn([C@@H]2CCN(C(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)C2)c1 812381145 VQPISSGOPZRWKF-LJQANCHMSA-N 427.346 4.449 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)CC2)cc1 813778653 BLSSPNWLIJLAEN-IBGZPJMESA-N 448.608 4.000 10 20 IICD CC(C)CNC(=O)NC(=O)[C@@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772919 IVCADMMTOVAKOR-VJMCZWTHSA-N 447.607 4.475 10 20 IICD COc1cc(Br)cc(CNCCc2ccc(OC)c(OC)c2Cl)c1O 815145503 WOZFGDMNDYGTOY-UHFFFAOYSA-N 430.726 4.166 10 20 IICD CSC[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 817060770 MTBDXHHEBMUHQF-HNDQUVLASA-N 440.681 4.331 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2C[C@@H]1C 832021242 UZPNFVRSSKPGTH-LBPRGKRZSA-N 445.541 4.356 10 20 IICD CCN(CC(C)C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914509749 ARWPCWMBHFPXGX-DHDCSXOGSA-N 441.416 4.155 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 916648439 HIJCQCWAOIIJGT-GCJKJVERSA-N 439.556 4.268 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(OCc4cccnc4)c3)cc2F)C[C@@H](C)O1 917708728 IDPCOYCZAWVJKI-KDURUIRLSA-N 449.526 4.343 10 20 IICD COc1ccc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c(OC)c1OC 918014675 MFHCYSZHYVTQGS-UHFFFAOYSA-N 437.540 4.162 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(C(F)(F)F)cc3)cc2F)C[C@@H](C)O1 918201553 JJGMOYGMNBSNID-GASCZTMLSA-N 439.453 4.458 10 20 IICD O=C(Nc1cc(Cl)cc2cccnc12)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294710 SPNPMXOUXIVBMY-UHFFFAOYSA-N 435.867 4.354 10 20 IICD Cc1cc(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 918608903 KWJGRCRSGUKRKV-UHFFFAOYSA-N 429.992 4.395 10 20 IICD CCOc1cc2c(cc1NC(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)O[C@H](C)C2 920872535 MQBCXUWTOTVEEV-IAGOWNOFSA-N 425.529 4.128 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1Br 13343152 LQRCBKVSQCOGDD-UVTDQMKNSA-N 444.372 4.304 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 24207793 JHOSOLHKNMWCTF-QHCPKHFHSA-N 439.625 4.187 10 20 IICD Cc1oc2c(CN3CCN(c4ccccn4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 41585961 DUUQWJKUNAJVMX-UHFFFAOYSA-N 427.504 4.191 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)c2C)c1 108626733 UJUXBIVDDLCQNH-UHFFFAOYSA-N 444.579 4.352 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1 109216029 CHLAVHOWUKNVLA-UHFFFAOYSA-N 427.545 4.232 10 20 IICD CCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC)cc3)CC2)c2ccccc12 110462755 GYSQYRGWHUFVCX-UHFFFAOYSA-N 440.565 4.194 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 303919375 OIVNWLDCVGGJQY-UHFFFAOYSA-N 440.931 4.070 10 20 IICD CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486978525 UEANVNZFBPSRHN-UWJYYQICSA-N 427.589 4.062 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(CC(=O)NC4CCCC4)CC3)ccc21 590669848 SUTKDNPCNUUFOE-UHFFFAOYSA-N 439.600 4.206 10 20 IICD C[C@@H]1CCC[C@](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)(N(C)C)C1 726707747 GNFSUZOMTWFATM-HXOBKFHXSA-N 438.563 4.067 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc2c(c1)OCCO2 727250523 NZZGPCGDUODYKL-UHFFFAOYSA-N 426.878 4.175 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1F 731398724 ILLPHZHTEJBBBG-UHFFFAOYSA-N 444.576 4.183 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(C)n1-c1ccccn1 733785111 RFHYIGBZEQDAHO-LJQANCHMSA-N 442.441 4.043 10 20 IICD O=C(Nc1ccc(Oc2ccccn2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 733850192 LHYUGNRSKORCDF-UHFFFAOYSA-N 443.459 4.340 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1cc(Br)ccc1Cl 735315105 BDBONVUCEUASFU-UHFFFAOYSA-N 427.798 4.020 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N3CCN(Cc4noc(C(C)(C)C)n4)CC3)c2C)c1 735823119 JJTHACMJKFRZBX-UHFFFAOYSA-N 435.572 4.041 10 20 IICD CN1C(=O)/C(=C\c2cnc3ccc(Br)cn23)c2cc(Br)ccc21 740763365 AKZJNOSNQIAMBJ-AUWJEWJLSA-N 433.103 4.376 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnn(-c2ccccc2Cl)c1 741398160 FWBYQEOVXKACFA-UHFFFAOYSA-N 427.961 4.401 10 20 IICD CS(=O)(=O)c1cccc([C@@H](NCc2cc3c(cc2O)OCO3)c2ccc(Cl)cc2)c1 742388028 OBBLCPSUVZZJRU-QFIPXVFZSA-N 445.924 4.057 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cn(-c2ccccc2C(F)(F)F)nn1 742475273 CAHNWAFNAZVWGW-UHFFFAOYSA-N 429.446 4.206 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(NC(=O)C2CC2)c1 742806917 UYXSQPWOFFBWLH-SFHVURJKSA-N 429.467 4.035 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 743554512 HACKGXWJBBPQLO-JFIYKMOQSA-N 425.495 4.310 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(Cl)cccc1[N+](=O)[O-] 744372292 CWIYKQVGOMYVNI-LBPRGKRZSA-N 425.819 4.248 10 20 IICD CCOc1ccc(N(CC)CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 744391956 QVRXBVJLYPWMSM-UHFFFAOYSA-N 437.462 4.028 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@H]1c1ccccc1 745903668 IPAQRFAFEQZOEP-RXVVDRJESA-N 431.483 4.040 10 20 IICD CCCCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746946470 BLNNVHKXEMJJKM-UHFFFAOYSA-N 431.527 4.438 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 751395930 PJTCNWAFNVBNAU-UHFFFAOYSA-N 435.593 4.463 10 20 IICD CC(C)C[C@@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 752227717 YXPIQUDMXGDPEO-CDCQXCROSA-N 441.416 4.201 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1F 753738032 LEGGGYWKHLKBNM-QZTJIDSGSA-N 433.321 4.049 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2cc(Br)cc(F)c2O)N(C)C)cc1OC 756666062 ZKSDUYDQFVYQQH-SJCJKPOMSA-N 441.341 4.265 10 20 IICD C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)cc(Cl)c1O 757640114 ROKWBCNDLMAYJF-CXAGYDPISA-N 439.781 4.226 10 20 IICD CCn1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(=O)c2cc(Cl)ccc21 757890495 QNMRBQHANRABKX-INIZCTEOSA-N 439.943 4.002 10 20 IICD CC(C)[C@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 763548386 MOGQSQUYUWWOAZ-KYJZABPNSA-N 428.373 4.238 10 20 IICD C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCCC2)cc1 763562171 LTKPDBNQVARTCA-FQEVSTJZSA-N 427.614 4.458 10 20 IICD COc1cc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1OC 765128465 VUEAICWAHAWHGU-BBWFWOEESA-N 432.536 4.316 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(N2CCOCC2)c(F)c1 765923196 CGUHCWUAFROLTB-SJLPKXTDSA-N 448.380 4.354 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 767821405 YBQHNAOZBTZLIJ-QFIPXVFZSA-N 445.604 4.051 10 20 IICD CCCN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(O)c2ccc(Cl)cc2n1 768187980 ZVTMWFJZKLLDHM-UHFFFAOYSA-N 426.948 4.238 10 20 IICD Oc1c(Br)cccc1CN1CCO[C@H](c2ccccc2Br)C1 769150672 CPLFNPZKPFRGNF-INIZCTEOSA-N 427.136 4.491 10 20 IICD CN(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 769513057 YAYGNVJTPRSALA-NRFANRHFSA-N 432.490 4.184 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc4ccc(Br)cc4n3)SC2=S)CC1 771513434 LCQLUDGWUKDBKC-BOPFTXTBSA-N 448.411 4.293 10 20 IICD COc1cc(O)c(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1OC 775695167 GZFNHJYSGBDORA-UHFFFAOYSA-N 441.915 4.099 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1O 779020883 ZUVQPTNXULBBCV-OXQOHEQNSA-N 431.374 4.347 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(Cc2cccc(F)c2)n1 780385341 PLZSNENEBANNOS-UHFFFAOYSA-N 439.556 4.012 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)N(c3ccccc3)c3ccccc3)cc2)CC1 786122253 OUVLBOPBJVNUGW-UHFFFAOYSA-N 428.536 4.403 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 792488194 NYQZTBXQXXPJIQ-UHFFFAOYSA-N 439.947 4.246 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 800914558 YNMZGVIEJMBVRS-IRXDYDNUSA-N 432.590 4.292 10 20 IICD Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2cnn(C)c2)c1 801648097 TUROASKHWOVOKG-WQRHYEAKSA-N 429.567 4.242 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)C2CC2)cc1 806708810 RXPKFZYSVJWAKE-UHFFFAOYSA-N 430.499 4.064 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(Cc2ccccc2)cs1 806998747 RCJXTDBBWNQEOL-UHFFFAOYSA-N 436.581 4.176 10 20 IICD CC[C@@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1ccc(C(F)(F)F)cc1O 810239028 QGIOFWNYGMUJHB-GOSISDBHSA-N 431.476 4.072 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCO1 812434997 ZFYISPRBXQBMTO-HXUWFJFHSA-N 444.539 4.246 10 20 IICD Cc1cc(CCNC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(C)n1-c1ccccc1 914536874 KGVJNBLQJISYQK-UHFFFAOYSA-N 444.579 4.372 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 916745240 FRAIHZRMADYVCD-DEOSSOPVSA-N 433.596 4.117 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCc3ccc(O)c(O)c3)cc12 917356091 NEBJSQAPAYGILZ-UHFFFAOYSA-N 427.913 4.433 10 20 IICD Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc(N4CCOCC4)c3)nc12 918371038 AZEBTCPBILLGHH-UHFFFAOYSA-N 442.519 4.311 10 20 IICD CCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 918574329 LKGYGFRBCUMBCH-UHFFFAOYSA-N 446.389 4.378 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)c2C)c1 918661584 RJBJBYCVGSFFJX-UHFFFAOYSA-N 445.563 4.032 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)c1ccccc1F 919765899 OCTSLVQPSVHECN-UHFFFAOYSA-N 447.510 4.153 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCCC3)cc2)C1 919989268 OZKXUFAWRANTLY-FQEVSTJZSA-N 437.559 4.046 10 20 IICD COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 920314295 QMQOOXVZQYRBDE-UHFFFAOYSA-N 434.514 4.462 10 20 IICD CC1(C)CCc2nc(O)c(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2C1 1319981260 LJYOESXJAQTWBY-MRXNPFEDSA-N 445.510 4.302 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1F 1322332889 FVDJCRLLFPZQOR-UHFFFAOYSA-N 431.514 4.197 10 20 IICD CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1 1330134983 HUBBAONXAZWCJP-NRFANRHFSA-N 447.645 4.330 10 20 IICD CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786257619 UNMFEOQDZFFUEQ-SFHVURJKSA-N 446.551 4.350 10 20 IICD Cc1cc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1-c1ccc(F)cc1 303125515 OBSXPXRYCGEMEB-HXUWFJFHSA-N 448.542 4.183 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 726610225 JSTRFRSRUWSGHR-HNNXBMFYSA-N 443.498 4.469 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCC(=O)c1ccccc1 727975491 FTSSHMQAYKPRBF-UHFFFAOYSA-N 431.517 4.283 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)n(-c4ccccc4)n3)c2C)cc1 731743388 SGUCYFBSRAFTNY-UHFFFAOYSA-N 428.492 4.331 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCC(=O)N1CCc2ccccc21 732476694 SLGUSWPMXATVFO-UHFFFAOYSA-N 434.584 4.188 10 20 IICD O=C(CCCCCNC(=O)NC1CCCCC1)NCc1ccc(N2CCSCC2)cc1 734425752 OYNIARDUCDTCIZ-UHFFFAOYSA-N 446.661 4.048 10 20 IICD CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 734430336 ZGLWETOFRUPQKO-GMAHTHKFSA-N 425.960 4.166 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c(Cl)cccc4C3)cc2F)C[C@@H](C)O1 740031273 KTYQUWCNLOVUDX-IYBDPMFKSA-N 431.939 4.361 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc(OC)c1OC 743281956 HXJWHRFHFDKZGR-VUFYJBQKSA-N 443.546 4.437 10 20 IICD CC(=O)N[C@@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(F)cccc1F 743430736 LFQUNEGTDMCICG-FQEVSTJZSA-N 428.435 4.060 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 743917652 LDKXGNRFNGMOMD-UHFFFAOYSA-N 448.910 4.158 10 20 IICD COCC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 745452958 RWPVNFATWFFZHR-UHFFFAOYSA-N 425.529 4.022 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](CSc2ccccc2)C1 745648487 QRRFSVJUDFYCCC-LJQANCHMSA-N 443.588 4.111 10 20 IICD Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 745691838 OZRUHQBHAGDWTR-ISKFKSNPSA-N 434.584 4.134 10 20 IICD Cc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2c1 746838259 TZQGATXMBUVUID-FQEVSTJZSA-N 442.563 4.052 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cccc(C(=O)N4CCCCC4)c3)cs2)cc1 751931191 ORPUOKVXMIFNPY-UHFFFAOYSA-N 435.549 4.299 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1 752101538 LFNATSOJOCLZDN-OAQYLSRUSA-N 431.544 4.368 10 20 IICD CCOC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 752828744 AHCJJQDTFMIGIA-FCHUYYIVSA-N 449.599 4.252 10 20 IICD C[C@H](NC[C@](C)(O)c1ccccc1)c1cc(Br)cc(Br)c1O 756573777 RFOGHZUUCCEPCW-GTNSWQLSSA-N 429.152 4.476 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)CC2)cc1 756965365 QHJZYVDCHLJNQU-UHFFFAOYSA-N 443.547 4.371 10 20 IICD CC1(C)Cc2cc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)ccc2O1 759487003 GSOXJLYLYOXFIJ-UHFFFAOYSA-N 442.427 4.336 10 20 IICD COc1cc(N2CCN(Cc3ncc(-c4cccc(Cl)c4)o3)CC2)cc(OC)c1OC 759885842 IEIQLLQJUVXJSH-UHFFFAOYSA-N 443.931 4.343 10 20 IICD CN(Cc1ccccc1O)C(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 769281469 DPUJLYJJVYBUQG-UHFFFAOYSA-N 439.556 4.232 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](c1ccccc1)C(C)C 774386566 RJEGIVOPVISDAD-IBGZPJMESA-N 433.346 4.017 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCc3[nH]c4ccc(Br)cc4c3C2)c1O 774839686 PCWVWEYGQWUKGI-UHFFFAOYSA-N 432.274 4.111 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1 775372524 DRGWVEOXHIJQFL-HNNXBMFYSA-N 437.471 4.082 10 20 IICD COc1cccc2[nH]cc(CC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c12 778675104 YGMANEZJPCABBL-UHFFFAOYSA-N 429.467 4.106 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1Cl 779204171 PJLCMKCUMYEHBL-WUXMJOGZSA-N 444.763 4.250 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 780384995 LLMBALGNFYTFEW-UHFFFAOYSA-N 443.569 4.236 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(C(F)F)c1 780762606 OOJUTZFIBQUPOQ-UHFFFAOYSA-N 432.439 4.173 10 20 IICD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784058079 KOKPMKHXALBBJP-UHFFFAOYSA-N 438.528 4.166 10 20 IICD COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)c1 788552563 LDVCSLZDXIVTBX-UHFFFAOYSA-N 439.518 4.254 10 20 IICD CCC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)sc2C1 789378948 UGHQFNRPTLPVDC-INIZCTEOSA-N 428.602 4.149 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1Cl 789859372 CKEVJLLNKMVOQA-NRFANRHFSA-N 446.016 4.023 10 20 IICD COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC 790479262 TUUZTUDBPCQPRA-UHFFFAOYSA-N 428.894 4.421 10 20 IICD O=C(NCCCCc1ccc(Cl)s1)NCc1ccc(N2CCOCC2)c(F)c1 790673973 RFYGKDQWUDGAGU-UHFFFAOYSA-N 425.957 4.199 10 20 IICD COC(=O)c1ccc(Cl)c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 794933095 GEITXFUVZZBZJW-DHDCSXOGSA-N 433.894 4.231 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c2cc(Br)cc(C)c2O)s1 797139891 KGTCOIZZYNQVJU-UTUOFQBUSA-N 441.395 4.191 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCOCc3ccccc3)cc2F)C[C@@H](C)O1 798373102 RDKXELJYGAKBGE-BGYRXZFFSA-N 443.563 4.188 10 20 IICD CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800049376 JGXVTGOKTHZLCW-PKOBYXMFSA-N 443.053 4.434 10 20 IICD Fc1cc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)ccc1N1CCN(c2ncccn2)CC1 800225187 RREDJVLULIHUFM-FYYLOGMGSA-N 446.574 4.153 10 20 IICD C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1cc(Br)cc(Cl)c1O 800505249 SZRCIDSYDFAXDT-ZDUSSCGKSA-N 446.794 4.116 10 20 IICD CCO[C@H](C)c1noc(CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)n1 800769251 NZSGEEKROKPQMJ-QGZVFWFLSA-N 435.532 4.007 10 20 IICD CCOC(=O)[C@H]1CC[C@H](NCc2ccc(N3CCN(CC)CC3)c(F)c2)c2ccccc21 802301360 HPIQOEBFOSREIG-UPVQGACJSA-N 439.575 4.239 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC=C(c2ccccc2)C1 803681687 MLINFZCQPVDCFF-UHFFFAOYSA-N 440.546 4.184 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)cc1 810351605 QBULJSCYGBPZIA-UHFFFAOYSA-N 447.583 4.439 10 20 IICD CC(=O)Nc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 913931715 XJVQEKUTXMCMAD-SFQUDFHCSA-N 445.591 4.327 10 20 IICD Cc1cc(Br)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916670469 PIYPOVJGXYMUNU-UHFFFAOYSA-N 436.325 4.179 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2F)C[C@@H](C)O1 917710081 APYPPVIHEBWEKL-HDICACEKSA-N 448.542 4.044 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1C 917757906 AIMQIFSDZOJWRD-UHFFFAOYSA-N 444.534 4.457 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccccc3Cl)cc2)C1 918123465 XHPJYLMHNSXJRY-GCJKJVERSA-N 440.975 4.088 10 20 IICD CC(C)=CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1781122530 RXFPRGHYEJWHHR-HHHXNRCGSA-N 449.595 4.284 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3F)C2)cc1 1844853016 ASPWIXQTUHGTDM-UHFFFAOYSA-N 431.511 4.364 10 20 IICD CC(=O)CCc1ccc2oc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)c2c1 10906367 GKXBJICURHVROA-UHFFFAOYSA-N 434.536 4.372 10 20 IICD Cc1ccc(NC(=O)c2ccc(NCc3ccc(N4CCC(CO)CC4)cc3)nc2)cc1 301251325 RVDWKUACTVVEEK-UHFFFAOYSA-N 430.552 4.463 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1OCCC(C)C 303024895 RYUUPNPPVLTFAB-UHFFFAOYSA-N 440.584 4.259 10 20 IICD Cc1c(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n(C)c2ccccc12 471220369 MSXDCXRXQAHOSM-UHFFFAOYSA-N 431.393 4.155 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2Cc2nc(Cc3cnc4ccccc4n3)no2)C1 558385331 YABZCJJYOXNWGD-UHFFFAOYSA-N 438.535 4.373 10 20 IICD COC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OCC(F)(F)F)c1 728036145 OBJRLYCAAYFRNP-UHFFFAOYSA-N 447.413 4.469 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 729534848 DLNXJKTUXODLCK-KPZWWZAWSA-N 437.323 4.190 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccccc2SCC(=O)NC(C)C)cc1F 731347216 QMCGSHPQEDMDRF-UHFFFAOYSA-N 431.577 4.219 10 20 IICD O=S(=O)(c1ccccc1NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)F 732030651 MZOCSJHSDNBLJJ-UHFFFAOYSA-N 432.439 4.365 10 20 IICD Cc1cc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 732178708 SIJCTVDUCGDFGL-UHFFFAOYSA-N 445.972 4.073 10 20 IICD Cc1ccc(OC2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 735091844 AGWNRSFXBXKNOY-UHFFFAOYSA-N 425.598 4.301 10 20 IICD Cc1nc(C)c(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 742088528 NMVFFEWXRQJXAJ-NTEUORMPSA-N 437.637 4.119 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@@H]1CCOc2ccccc21 743282014 ILXIDCROKNMHOJ-DZGUVLCISA-N 438.509 4.131 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCCN1Cc1ccccc1 746200250 GDRQFXBIEQDSNG-HSZRJFAPSA-N 443.538 4.428 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1F 753730304 HEDYWNSBXMIBOI-UHFFFAOYSA-N 429.492 4.144 10 20 IICD CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 754548914 SHRHVASKXLFOCG-UHFFFAOYSA-N 427.456 4.462 10 20 IICD O=C(NCCSCc1ccnc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 758675640 PGMZIOWSQJSDCP-SFHVURJKSA-N 435.977 4.065 10 20 IICD CC(C)Oc1ccc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 759916651 XMGGHCXNIMKGKD-IBGZPJMESA-N 435.446 4.216 10 20 IICD CC[C@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)ccc1O 761500334 VPXIOQMQPFBWKA-NRFANRHFSA-N 433.390 4.352 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1C(=O)OC(C)(C)C 761897467 IXTXLYBIEOIJCF-UHFFFAOYSA-N 439.556 4.451 10 20 IICD O=C(c1nc(Br)sc1C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 764628154 VYDYETUUKOEHMF-CQSZACIVSA-N 437.359 4.310 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2F)C[C@@H](C)O1 764852054 GGHCCHNXRDATTB-IZDJOXEWSA-N 441.330 4.096 10 20 IICD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1cccc(Br)c1O 765225889 FTQIDSIGDFYIJA-UHFFFAOYSA-N 432.318 4.021 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)c1 767362390 SBSJDAKTPQKTOQ-GIDUJCDVSA-N 437.340 4.267 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 772487500 HTOCYBKLURUSHL-UYAOXDASSA-N 432.609 4.462 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 772828797 RNPFZGQPRVIWQE-UHFFFAOYSA-N 429.523 4.162 10 20 IICD C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1 772874341 DIMSYEZMDBSUBT-PKOBYXMFSA-N 435.584 4.055 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)cc1)C1CCCCC1 773057552 FGTOCRWBIGSGHL-UHFFFAOYSA-N 434.462 4.124 10 20 IICD C[C@@H](NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 773355660 XWXKIOAHBQTUQN-OAQYLSRUSA-N 438.616 4.184 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 773760628 JGFIUAOAQHDEET-QFBILLFUSA-N 428.529 4.191 10 20 IICD C[C@@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775256404 XGTZWLCBJGOGSZ-AJTFRIOCSA-N 446.591 4.341 10 20 IICD C[C@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775256411 XGTZWLCBJGOGSZ-WXVAWEFUSA-N 446.591 4.341 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 775368849 HLCMQQHMHRJQGW-FDDCHVKYSA-N 443.547 4.481 10 20 IICD O=C(COC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(O)c(O)c1 782899856 VGTYOXYCGCQWRL-UHFFFAOYSA-N 444.237 4.087 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc21 784057964 IMHHGFXUCSZFFG-UHFFFAOYSA-N 448.567 4.262 10 20 IICD CC[C@H]1CCc2nc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)sc2C1 789758501 STTVHUILVUWFMY-HNNXBMFYSA-N 426.586 4.402 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1CCCCC(F)(F)F 794862281 OSCZKUOJXZJREH-DTQAZKPQSA-N 430.517 4.457 10 20 IICD CC(C)(C)[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 796337606 FQJUTAGKNBVITC-NRFANRHFSA-N 443.555 4.294 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(I)c(O)c1 801551762 RQNSQPZLODZDJF-UHFFFAOYSA-N 425.266 4.145 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 802610612 IBPHJCMKGNNKLG-UHFFFAOYSA-N 441.597 4.021 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 802610828 UEAMJSCVOATFCY-UHFFFAOYSA-N 437.462 4.244 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802759424 LHMOXNDMCABWOJ-FGZHOGPDSA-N 449.599 4.252 10 20 IICD CCCN(CCc1cccs1)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 805023252 DWSZNEXETIMMFR-UHFFFAOYSA-N 427.614 4.082 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(OC)c(OC)c3C)CC2)cc1 806684345 USHBVYCNLQLYIP-KRWDZBQOSA-N 427.545 4.050 10 20 IICD CCN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 806774875 KEBCJUKFGVUBTQ-GOSISDBHSA-N 446.498 4.170 10 20 IICD COc1cc(Br)cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1O 809727066 QZDDLRJFBPIVHZ-HUUCEWRRSA-N 438.322 4.125 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(Br)c3O)CC2)C1 816622682 LBOJGUZYGDPNIB-UHFFFAOYSA-N 425.367 4.378 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ccc(Br)cc2)c1 916148489 SCSPIEAVZGLJBW-UHFFFAOYSA-N 427.346 4.363 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916505285 SYDGPCFPDVRBSG-UHFFFAOYSA-N 436.577 4.437 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(Br)cs1 916624501 CDFPALJDFFEIBJ-UHFFFAOYSA-N 426.405 4.063 10 20 IICD COc1ccc2nc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)sc2c1 918024265 GULAJPREGPWPCN-KBPBESRZSA-N 444.532 4.379 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCSc2c(F)cccc21 918210295 LMEHJSFCZVDPBY-NRFANRHFSA-N 429.561 4.071 10 20 IICD CCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918289616 ZANYCSNRABWOMM-HDICACEKSA-N 441.547 4.037 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 919772556 HEFHWQCVYXRVPZ-UHFFFAOYSA-N 444.507 4.170 10 20 IICD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)C1 1116017130 HHLGGUJLZONOGJ-SZPZYZBQSA-N 438.635 4.345 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cnc(Cl)cc1Cl 1324859902 OPVACPPTFPEJCE-UHFFFAOYSA-N 440.146 4.067 10 20 IICD O=S(=O)(Cc1ccc(Br)cc1F)NCc1cc(Cl)cc(Cl)c1O 1328684244 DTLODLIIKFSTOJ-UHFFFAOYSA-N 443.121 4.220 10 20 IICD CCOc1cc(/C=C2\SC(NC3CCCCC3)=NC2=O)cc(Br)c1O 57405828 MCIYAQXBAHUAOW-GDNBJRDFSA-N 425.348 4.446 10 20 IICD CCN(CC)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 111072187 NVKXSBWZAUNKAJ-IECBHUPTSA-N 427.564 4.139 10 20 IICD NC(=O)[C@@H]1CC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)=NN1c1ccc(F)cc1 254484774 JOBTZUQGYCQXTG-NRFANRHFSA-N 430.443 4.300 10 20 IICD CC(C)(C)n1ncc2c(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ncnc21 301859320 DCRQPNPOARXGDW-UHFFFAOYSA-N 434.466 4.049 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cnn(-c3ccccc3)c2)cc1 302819580 VXDGKOCIZDRZNB-RUZDIDTESA-N 432.568 4.079 10 20 IICD O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 480839909 DOZQFISMZWCKSS-UHFFFAOYSA-N 443.406 4.019 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C4CC4)nn3-c3ncccn3)ccc21 518701592 TUPVIPXIEUUCNI-UHFFFAOYSA-N 430.512 4.010 10 20 IICD CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc3c(c1)c(C)c(C)n3CCOC)C(=O)N2 561957656 IFHGFEPKTQQHQC-FQEVSTJZSA-N 433.552 4.323 10 20 IICD COCCCN1CCC(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 727105771 OQXHBGPJADDHHI-UHFFFAOYSA-N 448.405 4.087 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2c(c1)C[C@H](C)O2 727861694 ZXGRIKNBOVMWNL-NJDFMEINSA-N 443.546 4.442 10 20 IICD CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc(C)cs1 729660496 LGDVDHKAHUAMFG-INIZCTEOSA-N 435.461 4.016 10 20 IICD COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 730580321 OWFWNCHBQAXKLX-QGZVFWFLSA-N 449.954 4.235 10 20 IICD O=C(c1nn(-c2ccccc2F)c2c1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 731856692 QQMYQQVWMHWUBS-SFHVURJKSA-N 435.499 4.027 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(-c2ccc(F)cc2)cc1Br 735464784 SLOHZNAXNPXEMT-UHFFFAOYSA-N 431.309 4.112 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 737860130 ZUCRCMFNYWBXAQ-DEOSSOPVSA-N 431.536 4.345 10 20 IICD CCc1cc2oc(=O)cc(CN(C)Cc3ccc(N4CCOCC4)cc3)c2cc1Cl 741734213 AGYCOBXLVVAWGR-UHFFFAOYSA-N 426.944 4.477 10 20 IICD Cc1ccc(OCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 742752197 FHNQBNFNWBAQPD-QFIPXVFZSA-N 441.572 4.130 10 20 IICD C[C@@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 743565466 WWSIAZIRJCOSPP-UXHICEINSA-N 425.598 4.408 10 20 IICD CCC(=O)Nc1cccc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)c1 745451828 JGLASUSYXNDURO-UHFFFAOYSA-N 434.334 4.235 10 20 IICD O=C(COC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(N=Nc2ccccc2)cc1 752056086 CQDHKOHWYOSUEY-UHFFFAOYSA-N 428.448 4.321 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754158303 CLDPEEHDTJITQV-IFMALSPDSA-N 429.561 4.098 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1cncc(Cl)c1 754694541 OOBCEWDVMXXKQL-UHFFFAOYSA-N 430.736 4.422 10 20 IICD Cc1nccn1C[C@H](C)CN[C@@H](C)c1cc(Br)cc(Br)c1O 756534068 KJDJWNZUGNRFQE-MNOVXSKESA-N 431.172 4.409 10 20 IICD C[C@H]1C[C@@H](NCc2cccc(OCCN(C)C3CCOCC3)c2)c2c(O)ccc(F)c21 756539162 JHENEDWWXJJEBM-HTAPYJJXSA-N 428.548 4.359 10 20 IICD C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)c(F)cc1O 756593672 LVILLCXMQQCVEC-JDNHERCYSA-N 446.700 4.103 10 20 IICD COc1ccc([C@@H](N[C@@H](C)c2cc(OC)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756620626 LHGKKAUYSMGDFH-UPCLLVRISA-N 441.549 4.253 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(Br)cc1O 756851227 QAFJEBNZHKWTKY-QWHCGFSZSA-N 430.306 4.119 10 20 IICD COCCOc1ccc(CNC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1 762784734 XOABUESVGCQYQR-UHFFFAOYSA-N 434.492 4.348 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 765324304 MGMWSHAJOLQTCN-SIKLNZKXSA-N 445.510 4.476 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1CC(C)C 766530734 OWBBZABZFHRAPQ-UHFFFAOYSA-N 439.482 4.025 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1 768076521 XOKDFGNFCRYZNF-UHFFFAOYSA-N 447.583 4.090 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c1 769730896 WZSBTNIVLGNSPV-UHFFFAOYSA-N 432.885 4.462 10 20 IICD Cc1cc2c(F)c(OCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)ccc2[nH]1 769842677 HDPKNISSRFYDER-IYBDPMFKSA-N 443.494 4.063 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 770781811 XPXOROOIUIUSCS-UHFFFAOYSA-N 444.329 4.320 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc(N(C)C)cc1 773617517 DMMRASJCTWDHLY-LJQANCHMSA-N 429.568 4.271 10 20 IICD Fc1cc(CNc2ncncc2-c2ccccc2)ccc1N1CCN(c2ncccn2)CC1 774678801 BIMPPLVIJOFSKB-UHFFFAOYSA-N 441.514 4.011 10 20 IICD CC[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1O 775491333 IPVDPDLXOZGTSV-SFHVURJKSA-N 426.376 4.201 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)cc1 775565852 RDGCUAYJKYKPAM-STQMWFEESA-N 430.339 4.115 10 20 IICD Cc1csc(N2CCN(Cc3cc(Br)cc(Br)c3O)CC2)n1 775652983 YHWAGBBTRINEMN-UHFFFAOYSA-N 447.196 4.004 10 20 IICD CNC(=O)c1cc(Oc2cc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2C)ccn1 775660951 WIQHRUMTEDOGCP-QGZVFWFLSA-N 447.539 4.491 10 20 IICD Oc1c(F)cc(Cl)cc1CNCc1ccc(Br)cc1N1CCOCC1 776250744 KWFQKIYMMFREOX-UHFFFAOYSA-N 429.717 4.074 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 777823192 QVCOLDUTBNVAOL-MRXNPFEDSA-N 442.512 4.306 10 20 IICD C[C@@H]1COc2ccccc2CN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 782501216 QFRQUBKSLPCOOY-MRXNPFEDSA-N 449.473 4.035 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)CC2)cc1 786065206 LPLYQMSURYNCLY-UHFFFAOYSA-N 438.572 4.228 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3c(Cl)cccc3Cl)cc2)CC1 786654962 AQJXJLOSNQIKIY-OAHLLOKOSA-N 434.367 4.082 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 786874322 MQESKORNADUMAK-UHFFFAOYSA-N 442.921 4.429 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1c(C)cc(C)cc1O)CC2 788640448 SEFLUKXHAMACSB-GOSISDBHSA-N 426.557 4.042 10 20 IICD O=C([C@@H]1Cc2cc(Br)ccc2O1)N(Cc1ccco1)Cc1ccccc1O 792227433 ZZUIVGPGNLIYJM-FQEVSTJZSA-N 428.282 4.280 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 797737571 DJUPXMDNNALVMP-UHFFFAOYSA-N 439.846 4.043 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc4c3ncn4C)c2C)c1 805671135 IPTDXCVQKLALHF-UHFFFAOYSA-N 434.521 4.137 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1ccc(OC(C)C)cc1 807840216 UTNNRCCTQUHRJP-UHFFFAOYSA-N 435.311 4.305 10 20 IICD C[C@@H](NCc1ncccc1N(C)C)c1cc(Br)cc(Br)c1O 810249101 MYPVYVBYNXJZDI-SNVBAGLBSA-N 429.156 4.229 10 20 IICD CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 916688241 SRFAAGRANKUXSC-UHFFFAOYSA-N 426.586 4.090 10 20 IICD Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)no1 916705877 ZQMGAADTHMFIPB-KRWDZBQOSA-N 446.429 4.233 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc21 917873005 GLPHEHNKKREBTF-UHFFFAOYSA-N 440.424 4.300 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 918098497 AFMPUGNTMZRGJQ-RUZDIDTESA-N 438.616 4.056 10 20 IICD C[C@@H](Sc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 919767463 GVRIAVRFIQLWDP-OAHLLOKOSA-N 435.387 4.083 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(CC(=O)NC4CCCC4)CC3)c2C)cc1 920039798 MCNWYEWVRCEBNE-UHFFFAOYSA-N 437.584 4.404 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCCCO2)cc1 1116960154 MOJXGTHOSJWQBL-QFIPXVFZSA-N 434.588 4.392 10 20 IICD COc1ccccc1NC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 1344463474 NSNNPWSSMYVHAD-HNNXBMFYSA-N 435.480 4.111 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc(F)c[nH]3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1791474117 MLIDGCZLEQJKLN-UHFFFAOYSA-N 443.862 4.280 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(O)cc3F)C2)cc1 1845362860 AZKIMUPBAIJQEG-UHFFFAOYSA-N 447.510 4.070 10 20 IICD CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 303294786 BNSKJHNSPQMFKS-UHFFFAOYSA-N 433.556 4.303 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 729064992 XSLNZXVTBXZDMQ-HNNXBMFYSA-N 436.464 4.018 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1F 731363803 ALSDXDNVMBGHLD-OAQYLSRUSA-N 427.499 4.133 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 732470339 ZIOBBHTVOSNLKV-FQEVSTJZSA-N 428.964 4.133 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cc(C)c(C)cc4C)cs3)cc21 734740054 JRMYGOAYPHZVOM-UHFFFAOYSA-N 441.578 4.445 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3ccc(C)c(Oc4cc(C)ccn4)c3)CC2)cc1 742263521 PSXJOHZCBYPFMX-UHFFFAOYSA-N 446.551 4.260 10 20 IICD CC(C)NC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743115122 SZNTYLBNBMXNBD-SFHVURJKSA-N 446.498 4.217 10 20 IICD O=C(NCCc1cccc2cccnc12)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743546242 KLKNARCJIIZSET-IBGZPJMESA-N 440.494 4.347 10 20 IICD Cc1cccc(O[C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 743665661 RSQFHMXYZURSTC-QGZVFWFLSA-N 433.499 4.332 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1F 743906363 RPXMHGAAUABCIJ-UHFFFAOYSA-N 445.510 4.387 10 20 IICD Cc1cc(C(=O)CN2CCN(C3CCOCC3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 747845818 QTHXVAPOLRSFSP-UHFFFAOYSA-N 449.517 4.092 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1NC(=O)c1ccco1 748986567 QCVBVUHWPXGMHV-UHFFFAOYSA-N 448.523 4.341 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1C 749638417 BJCXMIXCOMHVHQ-UHFFFAOYSA-N 429.536 4.160 10 20 IICD O=S(=O)(Cc1c(Cl)cccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 751121552 ZPKRRGJHUMOKKW-HNNXBMFYSA-N 430.353 4.210 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 752660103 LYMPQYCRIRBJST-UHFFFAOYSA-N 427.504 4.216 10 20 IICD C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1(F)F 753029093 KWQYKKFFQRGAKH-HLVNSREUSA-N 430.567 4.233 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1F 753740110 ZVVVRNHSQQOONM-UHFFFAOYSA-N 448.420 4.001 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br 754988769 QMEXSIDYYHUIAH-UHFFFAOYSA-N 436.281 4.417 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C 757905043 PNNZNQZYPJRWDH-IAGOWNOFSA-N 431.556 4.176 10 20 IICD CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 762023458 GQZBRVNNRQNESO-KRWDZBQOSA-N 442.541 4.175 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccccc3)c2C)cc1 763722057 GRBDMFGIMZTZAV-WIOPSUGQSA-N 434.536 4.067 10 20 IICD Cc1coc(-c2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2C)n1 764255502 VQJQHGFRUVVXTG-UHFFFAOYSA-N 445.475 4.425 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 765282304 MBGDSKZLXGAEEM-LJQANCHMSA-N 428.598 4.090 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1Cl 765327670 BIFPMHCHNTWRNR-MOPGFXCFSA-N 429.992 4.425 10 20 IICD Cc1c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 765332188 HNACPVFPXANRQQ-DLBZAZTESA-N 425.964 4.478 10 20 IICD CN(c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1)C1CCCCC1 765479480 IWMMPDPMSWHKPL-UHFFFAOYSA-N 443.569 4.378 10 20 IICD CCc1nc(CN2CCC(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)cs1 765912402 WGSWTVSEGLTJQN-SFHVURJKSA-N 446.636 4.244 10 20 IICD C[C@H](NCCCSc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 766070307 BYDAMVSTIAENAG-INIZCTEOSA-N 425.645 4.151 10 20 IICD COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770544421 WPRNTLNZNSDHMX-UHFFFAOYSA-N 438.528 4.442 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(CCN3CCCC3)CC2)cc1 772631654 UTCJJMQNJUMBEO-UHFFFAOYSA-N 434.588 4.022 10 20 IICD C[C@H](NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(N(C)C)cc1 773609194 CIBQGOAALBKWDB-SFHVURJKSA-N 430.593 4.246 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc(-c2ccccc2Br)o1 773749602 BDDRKVHBZYCCRR-ZDUSSCGKSA-N 445.313 4.195 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1 775209060 QZGJRXSUOKYSFB-UHFFFAOYSA-N 437.930 4.231 10 20 IICD Cc1cc(C(=O)CN2CCC(c3nnc4n3CCCC4)CC2)c(C)n1-c1cccc(F)c1 775828050 WDMQCGIPXYRDEX-UHFFFAOYSA-N 435.547 4.223 10 20 IICD Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc(O)c(O)c3)cc12 778925937 PDNIVBCSGOPKCL-UHFFFAOYSA-N 427.913 4.449 10 20 IICD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897609 ZBLKQNXMNGFFGO-UHFFFAOYSA-N 431.876 4.254 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nnc(-c4ccccc4Cl)o3)cs2)cc1 784671286 KEUOQSNVNOPLHV-UHFFFAOYSA-N 426.885 4.377 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 788248603 RQWSYEDADDUSSW-LEWJYISDSA-N 435.584 4.102 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(Cl)cc2-n2cccn2)C2CCCCC2)cc1 788338655 YJXBEWGXUZRGND-UHFFFAOYSA-N 437.931 4.412 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(COc2ccc(Cl)nc2)CC1 788873462 GXIGCYPDPNMDFU-UHFFFAOYSA-N 428.964 4.336 10 20 IICD COc1cc(Br)cc(CNc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1O 790653746 XWJZRTPJHPUBIY-UHFFFAOYSA-N 443.725 4.139 10 20 IICD COc1cc(O)c(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1OC 792179987 KGXVXWPBLDGNHV-LLVKDONJSA-N 434.290 4.073 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(Br)c1 794679142 DSZKRYZIXCNSPS-SXGWCWSVSA-N 435.368 4.297 10 20 IICD FC(F)(F)CCCCNC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 794971116 FBRVJJPJQFCJJK-UHFFFAOYSA-N 443.457 4.239 10 20 IICD CC1=C(Br)CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 797432701 OIRZCSBTPQBEBS-GASCZTMLSA-N 440.357 4.024 10 20 IICD Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800048500 CSUVSSLRYWCZMC-AWEZNQCLSA-N 427.936 4.203 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3nc(C4CCOCC4)cs3)cc2F)C[C@H](C)O1 806725596 QVPZZEYQRAJBTL-GJZGRUSLSA-N 448.564 4.112 10 20 IICD C[C@@H](NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 813606028 MYCWBIHTKKSJSE-VANUSSGQSA-N 445.563 4.358 10 20 IICD COCCNC(=O)c1ccc(Cl)c(NCc2ccc(N(C)C)cc2C(F)(F)F)c1 864004436 OUEFBSDOGPQBJF-UHFFFAOYSA-N 429.870 4.413 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)n(-c4ccccn4)c3C)c2C)no1 914613813 KZARBPWFAPXBNT-UHFFFAOYSA-N 432.480 4.233 10 20 IICD CCNC(=O)[C@@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 914717251 GOUSBHOQKPYWGD-FDCFBWIESA-N 442.563 4.042 10 20 IICD Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)on2)cc1 917380556 DXJPIWNAIXAVED-UHFFFAOYSA-N 445.441 4.435 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCOc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 917709052 KYONIPBFBVDROH-HUUCEWRRSA-N 438.902 4.317 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)cc2)C1 917833944 VXXMNUZNKTXMCC-NRFANRHFSA-N 429.520 4.111 10 20 IICD O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)Cc1ccccc1-2 917912928 ZVBBTUNOBHZKGR-UHFFFAOYSA-N 436.602 4.290 10 20 IICD C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971064 LWBHKRGAVMHOKO-QGZVFWFLSA-N 428.548 4.168 10 20 IICD Fc1cc(CNCc2cccc(C(F)(F)F)c2)ccc1N1CCN(c2ncccn2)CC1 920180798 XSWHAPLEUPOIJK-UHFFFAOYSA-N 445.464 4.251 10 20 IICD O=C(CCCOc1cccc(Cl)c1Cl)NCc1ccc(N2CCOCC2)c(F)c1 921147284 JRDQNDAXOMSPCQ-UHFFFAOYSA-N 441.330 4.445 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3cccc(COC4CCCCC4)c3)CC2)cc1 921190364 HTMPTZYASGPGLH-UHFFFAOYSA-N 437.584 4.305 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1317884205 VXLXQKKQXVHGAV-IBGZPJMESA-N 435.597 4.205 10 20 IICD CC1(C)CCc2nc(O)c(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2C1 1319981259 LJYOESXJAQTWBY-INIZCTEOSA-N 445.510 4.302 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCNC4=O)c3)cc2Cl)C1 1325187392 MPFLAWBIQINMFV-MRXNPFEDSA-N 426.948 4.036 10 20 IICD CN1CCN(c2ccc(CN[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)cc2F)CC1 1344381185 MXTLNFGUAKPYCJ-LJQANCHMSA-N 445.888 4.073 10 20 IICD Cc1csc2nc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)cc(=O)n12 22239573 QDIDQVQLAAMIPT-GOSISDBHSA-N 438.578 4.399 10 20 IICD COc1ccc(N2CCN(C(=O)CSc3nc4cc(Cl)cc(C)c4o3)CC2)cc1 303720951 WEGLCVXMMJQMFN-UHFFFAOYSA-N 431.945 4.239 10 20 IICD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[N+](=O)[O-])C1 437027106 RFNROQGKJNBERF-IRXDYDNUSA-N 438.528 4.182 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3SCCC(N)=O)ccc21 518194340 ILBPOZJJFWRXJE-UHFFFAOYSA-N 425.554 4.124 10 20 IICD C[C@H](CCc1ccc(Br)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 726236533 FGLUCBMHNHKCJJ-QGZVFWFLSA-N 446.389 4.106 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1OC 726628225 ZWWAKEMNNHJDDP-HKWRFOASSA-N 428.579 4.432 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 726628585 ZDAGFDJIELOGSU-RIYZIHGNSA-N 437.315 4.093 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1F 726630177 ULQYKJWFYSHDRM-RQZCQDPDSA-N 435.498 4.266 10 20 IICD CC1CCN(c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cn2)CC1 727105658 LISFMPNDYGMBOE-UHFFFAOYSA-N 444.526 4.318 10 20 IICD CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 728520279 YLPLZZJKHIKCTG-QHCPKHFHSA-N 448.567 4.158 10 20 IICD CC[C@@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 728817858 HFYFAYQBVMXQFU-NRFANRHFSA-N 447.558 4.142 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 728837056 LGDXROQUJYCIKT-UHFFFAOYSA-N 425.407 4.021 10 20 IICD CCn1c2ccccc2c2cc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc21 729066556 MSHTYODZAVFSNU-HNNXBMFYSA-N 431.492 4.345 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cc21 737380379 HXXLHXMEYBBSCC-UHFFFAOYSA-N 431.514 4.049 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCC1 741100082 RSMATBFAUHRTPQ-UHFFFAOYSA-N 446.595 4.082 10 20 IICD CS(=O)(=O)c1cccc([C@@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2F)c1 742393155 VPJXVGAAXJAWCD-HSZRJFAPSA-N 429.488 4.182 10 20 IICD O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 742401314 VSAVFTRPWATZJQ-UHFFFAOYSA-N 448.426 4.234 10 20 IICD COc1cc(Cl)ccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742748993 CIUCEOIJBUZGGP-LJQANCHMSA-N 447.963 4.410 10 20 IICD CC(=O)c1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742754531 PNSUFWGFCNQZOQ-KRWDZBQOSA-N 431.558 4.013 10 20 IICD Cc1ccnn1-c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742804714 AVIVJZFWHMVCAX-SFHVURJKSA-N 426.467 4.181 10 20 IICD CC(C)Cn1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 742845741 VCQSSHWGRKAHRO-SXGWCWSVSA-N 434.612 4.221 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(OCc2ccccc2)c1 743958071 JWVVENDNQDWYNS-UHFFFAOYSA-N 444.531 4.413 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 747894903 VMSOILKVLBBUSR-UHFFFAOYSA-N 445.591 4.242 10 20 IICD COc1cc(NC(=O)NCc2ccccc2O)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 748444260 UCXJOBARHNKXBG-HOTGVXAUSA-N 441.528 4.134 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1 752622695 WRAFWPOWWDEEKK-XOBRGWDASA-N 433.346 4.178 10 20 IICD COC1CCC(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 754294013 XKMZIHKJSORYMJ-UHFFFAOYSA-N 425.520 4.151 10 20 IICD COc1cc(N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc(OC)c1OC 759876882 CUJIVUBWASLFKG-UHFFFAOYSA-N 449.551 4.009 10 20 IICD COCCn1cc2c(n1)[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1O)CCC2 760887975 PFPFHSXZOCXWHF-ZBEGNZNMSA-N 428.758 4.379 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C1CC1 762978978 AVUCBZFFGLQHBS-QGZVFWFLSA-N 425.577 4.262 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 763631361 OLOILTBTQMRMEI-UHFFFAOYSA-N 445.479 4.282 10 20 IICD COc1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)o2)c([N+](=O)[O-])c1 764419422 YWAUVDLLHOGQGV-RQZCQDPDSA-N 443.462 4.253 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)cc1OC 764988007 NCALOXUGSDMXDD-FQEVSTJZSA-N 439.600 4.441 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc(I)c1 765212900 VCAZBRJVLVKDJG-UHFFFAOYSA-N 447.070 4.081 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 770302749 YLINUWZCCCSQEG-ZBFHGGJFSA-N 449.382 4.256 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(C)[C@H](C)[C@@H]2C)sc(C)c1-c1ccccc1 771459878 MLLJAIGYSATRCL-SJORKVTESA-N 443.613 4.253 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(N(C)C)cc1 773858920 SXPOCLHXAGCMQO-CYBMUJFWSA-N 446.338 4.061 10 20 IICD Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 775253416 CTXUZAXWSVASHR-KRWDZBQOSA-N 445.523 4.387 10 20 IICD C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(N(C)C)cc1 775404639 ZPZFSAKJVLZTIX-MRXNPFEDSA-N 434.989 4.370 10 20 IICD CC(=O)N1CC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc2C1 779070670 CRVIJBMQYMWGBA-CVDCTZTESA-N 429.511 4.340 10 20 IICD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783317459 SWPWYSAHLMWYKT-UHFFFAOYSA-N 430.552 4.499 10 20 IICD O=C(NCc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 785625749 WDYMVXMPGZUNJR-UHFFFAOYSA-N 434.458 4.389 10 20 IICD C[C@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 790912379 CXULVMDQZCIUKM-YRPNKDGESA-N 438.616 4.145 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 791247147 WCFVPVCWYSPAND-ROUUACIJSA-N 430.495 4.457 10 20 IICD Cc1noc(C2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)CC2)n1 799994556 QLVNALKNXWJCCP-OAHLLOKOSA-N 431.968 4.357 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)cc2Cl)C1 799995768 VPLQZUIFXPHPGA-HKUYNNGSSA-N 429.996 4.084 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C3CCC(NC(=O)C4CC4)CC3)cc2Cl)C1 800048432 AXOUYVZCJHUXLL-VQSBYGRUSA-N 432.008 4.278 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 802609942 MUUARKAXWXSUEF-UHFFFAOYSA-N 440.931 4.307 10 20 IICD C[C@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(N2CCOCC2)cc1 806614057 IRZPAYUJEWIMCI-AWEZNQCLSA-N 446.429 4.083 10 20 IICD CC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 807209393 JUEAELCLUGAIBI-IEBWSBKVSA-N 435.012 4.024 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H](Cn1ccccc1=O)c1ccccc1 807213573 REGPNGPZHJFFNS-GOSISDBHSA-N 432.307 4.101 10 20 IICD CCc1cnccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807955014 KVEJHOLATZWNKO-DLBZAZTESA-N 442.991 4.027 10 20 IICD CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC=C(c2c(C)[nH]c3ccccc23)CC1 811823496 YUJDQDOWFKRKEV-UHFFFAOYSA-N 444.988 4.320 10 20 IICD CNC(=O)c1ccc(CN(C)Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)cc1 813042812 UOJKPSUEXNWCSK-UHFFFAOYSA-N 442.515 4.466 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(Br)ccc2[nH]1 906594320 DGXFAAPNTAVBGH-UHFFFAOYSA-N 428.330 4.039 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 916484180 XAOIQTVYZADHLB-IEBWSBKVSA-N 428.529 4.170 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 917235287 WPVBSTRRDVODSZ-DEOSSOPVSA-N 445.519 4.084 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1sccc1-n1cccc1 917380510 BWJWOFYQIGGPQY-UHFFFAOYSA-N 435.471 4.324 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 918067164 AJNCWEVXWAMVKV-GOSISDBHSA-N 436.556 4.027 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccsc3)CC2)cc1 1340944561 HXTFCEXFFJBORK-UHFFFAOYSA-N 435.549 4.362 10 20 IICD Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1842453604 MIWQVEBTIMNFDH-UHFFFAOYSA-N 446.931 4.081 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C(C)C)no2)C3)cc1 1845398919 RSOJFEICCNHGNM-UHFFFAOYSA-N 446.551 4.336 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)c2C)c1 116356708 UAFSDYMUIADQCI-UHFFFAOYSA-N 430.552 4.357 10 20 IICD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 537142565 SBRGZRFNRCBPNP-ZWOKBUDYSA-N 434.565 4.329 10 20 IICD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cc(Cl)cc(Cl)c3O)cc2)C1 725846042 VBZPHBLALAXMFR-CQSZACIVSA-N 443.396 4.409 10 20 IICD COc1ccc(Br)cc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O 727863495 CGQIBMFGDRRLGD-MHWRWJLKSA-N 435.368 4.297 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3nc(C)c(C)s3)ccc21 728639880 WKIKHUPCFKPOQR-OAHLLOKOSA-N 429.542 4.162 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3nc(C(C)(C)C)cs3)cc2F)C[C@@H](C)O1 729497075 OOUMHDNXFSOXSD-HUUCEWRRSA-N 434.581 4.193 10 20 IICD CNC(=O)C1(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CCC1 729967259 KUQVLTCKWJNQAB-SFHVURJKSA-N 433.474 4.214 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1F 731362017 LFIVMRIWMPHOHE-IYBDPMFKSA-N 449.596 4.059 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)cc1F 731404160 HVIIBNJVFBLEGZ-QFIPXVFZSA-N 441.595 4.263 10 20 IICD C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(N2CCOCC2)cc1 731617477 LXJXLFIKIUFUTA-FQEVSTJZSA-N 444.531 4.406 10 20 IICD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 731859138 SPZFFBGTEPNBGF-HXUWFJFHSA-N 442.515 4.068 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1 732980878 PABXKCRLRSMJJK-QHCPKHFHSA-N 430.495 4.042 10 20 IICD COc1ccc(O)c(CNC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 734067192 WWCFFEALRROOPJ-OAQYLSRUSA-N 437.565 4.061 10 20 IICD CCN(CC)C(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1Cl 734645956 UNMNDIFSWYQFFH-UHFFFAOYSA-N 446.979 4.283 10 20 IICD COc1ccccc1-c1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 742367968 NQPNRJMNTXVZRP-QHCPKHFHSA-N 429.564 4.354 10 20 IICD C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 743564972 RMAJPCVAFRMBFL-AZUAARDMSA-N 442.991 4.206 10 20 IICD O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745796344 RGJAKTZVJXNORF-COPCDDAFSA-N 445.510 4.476 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)ccc1F 747856345 HFHVWWDWJRPYBL-UHFFFAOYSA-N 434.514 4.462 10 20 IICD CN1CCCc2cc(CNC(=O)c3cc(O)nc4c(Br)cccc34)ccc21 749933349 HKYYVTMIMKMGDE-UHFFFAOYSA-N 426.314 4.015 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(CN2CCCCC2=O)c1 750308643 ONYQBMQMOIHXHX-UHFFFAOYSA-N 438.597 4.074 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 751081299 AZPADQUKKHGIMV-CMJOXMDJSA-N 429.511 4.049 10 20 IICD COC(=O)c1cc(OC)c(OC)cc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 752711222 BHQBTEJKDKUYSH-UHFFFAOYSA-N 441.528 4.145 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1 755837071 LKWWZKWGJNMBCI-UHFFFAOYSA-N 435.553 4.489 10 20 IICD Cc1coc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)n1 759021930 BNTSAHSQBXAAIR-UHFFFAOYSA-N 432.524 4.237 10 20 IICD COc1ccc(N2CCC(N3C(=O)N[C@@](C)(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 761222331 METIIVYAPSQRHF-QFIPXVFZSA-N 448.350 4.438 10 20 IICD COc1cc(C)c(Br)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 765336446 DEQUZUNYELIGST-OAHLLOKOSA-N 448.361 4.485 10 20 IICD COc1cc(Br)cc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1O 768980918 BYRYOQPDAAOPCB-QGZVFWFLSA-N 430.302 4.154 10 20 IICD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cccc(Br)c2O)CC1 770286117 KEPQQTZMIBOSIH-UHFFFAOYSA-N 443.382 4.051 10 20 IICD CC(C)(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21 770301692 SBDMVJGBONQQAV-SIKLNZKXSA-N 434.584 4.248 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1 772740263 DPWBBNCHHDFDHP-QHCPKHFHSA-N 446.555 4.487 10 20 IICD Cc1ccsc1CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 773657162 LWWZYSWVQWOEBY-FOWTUZBSSA-N 436.649 4.458 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 779504830 DZMOUUKCHWBQHK-ONNFQVAWSA-N 434.879 4.492 10 20 IICD O=C(c1cc(Br)ncc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 779650576 BGPALDGMJCTXDO-CYBMUJFWSA-N 425.710 4.025 10 20 IICD Cc1[nH]nc(C(F)F)c1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 781356684 DOGCGOUBFBWTMT-FLIBITNWSA-N 442.538 4.337 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1 783315391 BHMRFRWKAJMIML-UHFFFAOYSA-N 430.552 4.114 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)CC1 787323685 YNEWXXRPWRRWLR-UHFFFAOYSA-N 439.987 4.137 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C 800637226 VJOJQQSDTIMTRQ-HOTGVXAUSA-N 445.995 4.307 10 20 IICD CCOCCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802631158 DWXAJAIEQYJOLP-UHFFFAOYSA-N 434.588 4.393 10 20 IICD CN(Cc1ccccc1N(C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 812067934 UHHBTTWVYJCTFZ-SFHVURJKSA-N 432.515 4.164 10 20 IICD O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 819422033 SLJMYMCIIZNULS-CQSZACIVSA-N 449.878 4.434 10 20 IICD CCOC(=O)c1nc(CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)cs1 915793319 ULCVZVYAASIAHG-UHFFFAOYSA-N 431.539 4.267 10 20 IICD O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)Nc1ccc(N=Nc2ccccc2)cc1 916525150 BVUHIFZMMLMAMX-QGZVFWFLSA-N 434.496 4.375 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2F)C[C@@H](C)O1 917167822 BXXLJTVPXBWYRO-ZIAGYGMSSA-N 441.330 4.441 10 20 IICD Cc1cc([C@H]2CCCN2C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)on1 918583868 ZZCKXGVIYARTJD-UHVIJJLKSA-N 447.607 4.390 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@H]1c1ccccn1 919870905 LVAJGUYFFGNHFS-SKQHNDAPSA-N 443.619 4.488 10 20 IICD Cc1nc(-c2cccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)oc1C 919910917 PXNZJOORWIBCBV-UHFFFAOYSA-N 438.503 4.380 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C 920320086 VCHYAOYGEFHKGX-UHFFFAOYSA-N 438.572 4.177 10 20 IICD Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c2C)no1 13079714 TZHMSSWEMPRQAB-WJDWOHSUSA-N 433.555 4.237 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 301685294 MPDWTVLVVABIOB-FQEVSTJZSA-N 435.568 4.086 10 20 IICD Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2ccc(Br)cc2n1 443994373 OQQKXHRMEYYCET-UHFFFAOYSA-N 426.314 4.411 10 20 IICD Cc1c(CNCc2ccc(Br)cc2N2CCOCC2)n(C)c2ccccc12 475197702 NTGFVOUXWRSDHX-UHFFFAOYSA-N 428.374 4.376 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c1 728945762 IOVYGUSEDVAVII-OTWHNJEPSA-N 425.573 4.439 10 20 IICD Cc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731016912 UAIXAMKPJKKBAZ-UHFFFAOYSA-N 435.597 4.095 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 732257240 HJNQUGRMFXRAHI-UHFFFAOYSA-N 441.620 4.191 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)O[C@@H]1C=CCCC1 733433506 MZNGCTFGYRFYEV-MFYHJKBNSA-N 438.368 4.302 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)N[C@H]2CCOc3ccccc32)cc1 741479282 PGJGQRASTOBVQY-IRLDBZIGSA-N 425.598 4.132 10 20 IICD O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743150416 SIJSCNTTZAHPHV-KRWDZBQOSA-N 427.455 4.469 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 743338841 KHGGFPXYXBRFDP-SFHVURJKSA-N 430.932 4.462 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 743719657 NMELJVBPCNZGDI-UHFFFAOYSA-N 432.442 4.347 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CC(F)(F)F)cc2)CC1 743904577 AYMBNWPDOBJNLV-UHFFFAOYSA-N 433.474 4.283 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 745801727 ZRIPGIPQTVSBQS-UHFFFAOYSA-N 445.510 4.341 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@@H](c2ccccc2)C1 746725005 WQUDYLYMPRXTSH-LJQANCHMSA-N 433.474 4.241 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCOC1 752850239 ILDWPWSOSHNCKI-NRFANRHFSA-N 432.572 4.003 10 20 IICD Cc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(C)n1-c1ccccn1 755457761 KSHJQMFMDHMNBH-KRWDZBQOSA-N 436.531 4.080 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)CC1 756096154 NWLMOWPIJCODEN-OFVILXPXSA-N 446.595 4.167 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCCCSc1nccs1 759585955 MGJFSOOZFQQFKB-UHFFFAOYSA-N 435.575 4.247 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cc1Br 760611404 ZLCXKQUQBKNAAT-UHFFFAOYSA-N 437.765 4.241 10 20 IICD C[C@H]1CN(c2ccc(CN3C(=O)CN(Cc4ccc(Cl)cc4)C3=O)cc2F)C[C@H](C)O1 761088175 AQIRVPPCDHOXKQ-HOTGVXAUSA-N 445.922 4.057 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3cc(Cl)c(OC)cc3OC)cc2F)CC1 765853433 SKRMJDFOCOCNQM-MRXNPFEDSA-N 435.971 4.489 10 20 IICD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCCc3cc(OC)ccc32)c1=S 766338640 BYRLKHRMVFXGEV-UHFFFAOYSA-N 425.514 4.428 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C1CC1 766420492 RPULREGLSRFFTQ-UHFFFAOYSA-N 434.458 4.358 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(SC)cc4)cs3)ccc21 767673839 CBKGJZHSJNFEQN-UHFFFAOYSA-N 447.563 4.261 10 20 IICD COc1cc(Br)cc(CNC[C@H](CO)Cc2ccccc2C(F)(F)F)c1O 769420250 QLMMIZSPWIWYKP-GFCCVEGCSA-N 448.279 4.123 10 20 IICD CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 776004785 YHURXLWKIIUDJB-NTKDMRAZSA-N 434.536 4.354 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 782778021 ODLKJSLORRKJTD-UHFFFAOYSA-N 432.590 4.347 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cn1 790108521 SSUAJMAQDWOZPX-YVLHZVERSA-N 449.985 4.232 10 20 IICD COc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1S(=O)(=O)N1CCCC1 796435695 ZYOHPEWPMBRWMZ-UHFFFAOYSA-N 438.549 4.464 10 20 IICD CC(C)c1ncc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 799597748 WIANLKGFFKJUJA-KRWDZBQOSA-N 433.503 4.012 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](C4(C)OCCO4)C3)cc2Cl)C1 799994803 FNQVPWVYRIBVSC-HKUYNNGSSA-N 435.996 4.261 10 20 IICD COc1cccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1F 800721628 BEFGISZGOFNWDU-PDGQHHTCSA-N 431.510 4.049 10 20 IICD CCCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC)CC1 801845557 XGPSIWNKKIRICX-UHFFFAOYSA-N 434.588 4.115 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccon1 812200956 MHMZOFSGZWEIPG-UHFFFAOYSA-N 434.544 4.404 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)F)c(F)c3)cc2F)C[C@@H](C)O1 815063147 WRQDWUWNLVBOMZ-BETUJISGSA-N 426.410 4.110 10 20 IICD Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccccn1 914904586 AAZSYNRYUJMJFT-HNNXBMFYSA-N 433.424 4.365 10 20 IICD O=C(NCCNC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915759292 VYMGZVVTPMHOIR-UHFFFAOYSA-N 449.898 4.240 10 20 IICD CN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 916588378 SGTGPCBXXBHQRS-UHFFFAOYSA-N 432.362 4.270 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1OCC(F)(F)F 916676892 INNUGMNUVLRMPT-UHFFFAOYSA-N 445.388 4.064 10 20 IICD O=C(CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 918095435 ZNHBHAREQCLBDK-FQEVSTJZSA-N 445.947 4.155 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1CCC(c2ccccc2)CC1 918207389 WQXUJRIXVRNNTP-UHFFFAOYSA-N 425.548 4.312 10 20 IICD O=C(NCCOc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCSCC2)cc1 918213045 FIVZYRYWCSXJMW-UHFFFAOYSA-N 439.503 4.137 10 20 IICD Cc1cc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 919857396 OCXABXVRVKGAOS-UHFFFAOYSA-N 434.920 4.090 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncoc2[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)CCC2 1318544077 JXLVRBMJAFUPAR-JOCHJYFZSA-N 434.492 4.462 10 20 IICD Cn1c(=O)c2ccccc2n2c(CNc3ccc(Cl)cc3C(=O)c3ccccc3)nnc12 302740827 PVAPNXIFOYCJQI-UHFFFAOYSA-N 443.894 4.078 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccsc1 303673825 HDAZIVJWDBCTNQ-UHFFFAOYSA-N 449.576 4.139 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 725820889 RRZVKQGKYURQKO-UHFFFAOYSA-N 433.961 4.174 10 20 IICD Cc1ccc(OCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726616520 OCYWRVPHJSCLRF-UHFFFAOYSA-N 433.499 4.334 10 20 IICD CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OCC 726626941 IMCNVBPFTPOFQD-UYRXBGFRSA-N 442.562 4.379 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(C)cc3OC[C@H]3CCCO3)CC2)cc1 726697324 MAAAZFYAOLHYIC-JOCHJYFZSA-N 439.556 4.352 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 727248732 VMBBFDVEIJZVDI-UHFFFAOYSA-N 448.482 4.298 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(OCC(F)(F)F)c1 729039371 NRYYPVWYASDMTB-NSHDSACASA-N 442.390 4.011 10 20 IICD CCS[C@H]1CCCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1 732568802 MDHSTRPDJOCEJM-JTQLQIEISA-N 434.312 4.386 10 20 IICD CCOc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 743080692 YVTRONUPVGKHBW-INIZCTEOSA-N 435.471 4.486 10 20 IICD COc1ccc(Br)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 747690632 PNRVVIOKJQIQOR-UVTDQMKNSA-N 444.372 4.304 10 20 IICD O=C(Nc1ccc(OC(F)F)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748015146 ZEGBUWRMZBPMTQ-UHFFFAOYSA-N 440.449 4.108 10 20 IICD Cc1ccc([C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756618124 RHBYOWYYTCVCOX-HJPURHCSSA-N 440.521 4.453 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 756671198 LAYNBMAGCXXAMC-ZEQRLZLVSA-N 432.572 4.054 10 20 IICD CSC1(CN[C@H](C)c2cc(Br)cc(Br)c2O)CCOCC1 756732630 JZPSRUDZZQFAMM-SNVBAGLBSA-N 439.213 4.480 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 759021815 ADBKBIORXXWCSE-FQEVSTJZSA-N 436.600 4.427 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)cc2)CC1 759421411 YTOMHTDGZMKUAZ-OAQYLSRUSA-N 435.490 4.475 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCN(c3cccnn3)CC2)cc1 759648836 HSMSSOBBVATCRM-UHFFFAOYSA-N 429.528 4.357 10 20 IICD COc1cc(N2CCN(Cc3c(Cl)cccc3OC(F)F)CC2)cc(OC)c1OC 761218480 FASKHPFNCMRDBA-UHFFFAOYSA-N 442.890 4.289 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)n1 761831716 LPLVYBBCFQKSAG-UHFFFAOYSA-N 433.530 4.141 10 20 IICD COCc1nc(SCC(=O)c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)n[nH]1 761875310 JCIBJHLAXJUFMH-UHFFFAOYSA-N 449.374 4.405 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)cc1C 764527921 UXYSVRXCYNPPHT-UHFFFAOYSA-N 425.539 4.117 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1cccc(Cl)c1 765119489 XLNDRBNLUBVBJM-HNNXBMFYSA-N 429.927 4.056 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c(C)n1-c1ccccn1 769386334 ZAXCOACERBIPPH-QGZVFWFLSA-N 431.458 4.089 10 20 IICD O=C1OCCN1c1cccc2c1CCN(Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)C2 769502796 QYAUJAMXVZIKCX-UHFFFAOYSA-N 436.512 4.100 10 20 IICD C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770382458 TXBIFNZOHLUVKP-IEBWSBKVSA-N 432.565 4.463 10 20 IICD CC(C)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nn1-c1ccccc1 772438116 YLDFQJWRUWWQGX-UHFFFAOYSA-N 436.531 4.026 10 20 IICD O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 774169119 ONADIZJCLABACI-MOPGFXCFSA-N 435.475 4.135 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cc(F)c(Cl)cc1Cl 774955547 LTGNVTZSMJWONH-CYBMUJFWSA-N 438.330 4.226 10 20 IICD COc1ccc(OCc2ccccn2)c(CNCc2cccc(Br)c2O)c1 775146286 OSPJOBPZVIIIKY-UHFFFAOYSA-N 429.314 4.427 10 20 IICD CC[C@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cc(Cl)ccc1O 775523079 FUUMHZJSLBIUCW-IBGZPJMESA-N 432.948 4.408 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 776190693 FGEXDRLCGZHJQI-IBGZPJMESA-N 444.597 4.407 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 779489974 UVVGJAXSXDUKSG-XSBJJCPUSA-N 434.458 4.024 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccc(Br)cc1 782863363 WWYARGSAGGNEOU-KRWDZBQOSA-N 433.346 4.272 10 20 IICD Cc1ccccc1-n1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896392 MNSYRLPSKWVFPB-UHFFFAOYSA-N 432.524 4.186 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783485098 GHGWQDLMZBSVLA-IBGZPJMESA-N 439.519 4.496 10 20 IICD Cc1cnn(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2F)c1 784058649 YRFUBDVTOWIACR-UHFFFAOYSA-N 435.503 4.206 10 20 IICD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)sc2C1 789369685 IHGVIJGYMSWQNB-MRXNPFEDSA-N 428.602 4.101 10 20 IICD COc1ccc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(O)c1 794374454 UDHWXSJDJSJRRR-UHFFFAOYSA-N 437.546 4.481 10 20 IICD CCN1CCN(c2ccc(CNCc3ccc(OC)cc3Br)cc2F)CC1 796286997 IBDQFWCQEKHQID-UHFFFAOYSA-N 436.369 4.029 10 20 IICD O=C(NCCc1ccc2[nH]ccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 799364491 HBEGASQJMHTCDV-UHFFFAOYSA-N 446.473 4.065 10 20 IICD CC(C)CCn1nccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800637316 WJBKMTLIBYEVSZ-KRWDZBQOSA-N 445.995 4.074 10 20 IICD CC(C)c1nc2ccc(NC(=O)C(=O)NCc3cc(Br)ccc3O)cc2s1 807387032 WACLDQHZNHXCLC-UHFFFAOYSA-N 448.342 4.143 10 20 IICD CCOc1ccc(NCc2cc(Cl)cc(F)c2O)cc1S(=O)(=O)N1CCCCC1 809682274 JMEVNRHWLLIHIY-UHFFFAOYSA-N 442.940 4.370 10 20 IICD Cc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCCO2)cc1C 812441742 XXVXHHHTLPACOC-JOCHJYFZSA-N 436.556 4.385 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2I)cc1 916504997 KLNZEGKHPARPPG-UHFFFAOYSA-N 426.273 4.207 10 20 IICD CC(C)Oc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918203587 CDLNMEKFPVEEGP-ROUUACIJSA-N 429.536 4.226 10 20 IICD CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(OC)c(OC)c1 921061387 DRBZRTZDHMXECR-HXUWFJFHSA-N 440.540 4.055 10 20 IICD CN1CCCc2cc(CNC(=O)c3nn(-c4ccccc4F)cc3Br)ccc21 1322133831 VFNFEJPGXBMQPY-UHFFFAOYSA-N 443.320 4.086 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1323880813 MHJWQANWEFOFED-QHCPKHFHSA-N 436.899 4.054 10 20 IICD O=C(CSc1nnc(Nc2cccc(Br)c2)s1)c1ccc(O)c(O)c1 24504649 CBXYCXHKNCQMSK-UHFFFAOYSA-N 438.328 4.430 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 248094377 GEVUKEVTZQLTAD-UHFFFAOYSA-N 441.531 4.211 10 20 IICD COc1cc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])cc1OC 302482163 YGUZUVJBUXTFOV-GOSISDBHSA-N 441.253 4.092 10 20 IICD CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 409696751 ORFYZZRZZXZWMM-INIZCTEOSA-N 430.574 4.374 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)ccc21 427377441 YLHTUDQJQAFCHZ-UHFFFAOYSA-N 448.523 4.135 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCc4c(cnn4-c4ccccc4)C3)ccc21 484697312 UUOJEPDATBPXKH-UHFFFAOYSA-N 428.536 4.289 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3-c3nnnn3C(C)C)ccc21 542341859 YYRIFPMFLBXHGD-UHFFFAOYSA-N 432.528 4.391 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccccc2F)on1 726564683 PLICQCHCDRFFHD-UHFFFAOYSA-N 431.414 4.481 10 20 IICD COCCOC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 728470023 ALAXUKCLQLDOTD-UHFFFAOYSA-N 439.512 4.352 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 728979415 HKULASDNPHMDBK-PKOBYXMFSA-N 432.520 4.284 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)ccc21 729041730 ZQKLDQOQXWJEDL-UHFFFAOYSA-N 447.583 4.214 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(C)C)cc3C)cc2F)CC1 730132909 ILOLHTSVAKMYQS-UHFFFAOYSA-N 428.552 4.385 10 20 IICD CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 730769329 DLISLWSQKNBUPC-UHFFFAOYSA-N 448.567 4.016 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 732478174 COHMHYSWVYUFRE-UHFFFAOYSA-N 446.482 4.297 10 20 IICD CCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 743080693 YVTRONUPVGKHBW-MRXNPFEDSA-N 435.471 4.486 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCOC2=O)c1C 743245612 YFNOFJPBDIEFAR-UHFFFAOYSA-N 448.317 4.474 10 20 IICD CCc1ccc([C@@H](COC)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 743635236 QGPWYCLPORTXEX-DNVCBOLYSA-N 437.487 4.099 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1c1ccccc1 746416129 UEGWKELASBCHEC-IFMALSPDSA-N 425.548 4.388 10 20 IICD C[C@@H](CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 749776239 FXEGVYUKPVYSKD-FQEVSTJZSA-N 447.558 4.142 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 752657826 WCYGXMFKBUHEHE-UHFFFAOYSA-N 435.528 4.185 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc2cc(Br)ccc2c1 753645960 ZVNHVIZXDTYRKS-ZDUSSCGKSA-N 430.298 4.140 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(NC(=O)C(C)(C)C)c3)CC2)cc1F 753887010 XWHKZOVZMMLXDI-UHFFFAOYSA-N 442.535 4.481 10 20 IICD Cc1ccc(C2(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CCOCC2)cc1 754551997 YZULVEDRNWPZDY-UHFFFAOYSA-N 425.484 4.457 10 20 IICD COc1cc(CN2CC[C@@H](N[C@@H](C)c3ccc(Br)cc3O)C2)cc(OC)c1 756644168 DEXRXLCXRUIPNR-WMLDXEAASA-N 435.362 4.097 10 20 IICD C[C@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)cc(F)c1O 756675894 HOKGNPRGTIBJIO-GXSJLCMTSA-N 429.236 4.028 10 20 IICD COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)s2)cc1 758291985 OFEWRFIGUDXLAR-ZDUSSCGKSA-N 426.494 4.214 10 20 IICD CCC(C)(C)CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 759365492 RHCVPIQPUZYRDD-NTEUORMPSA-N 441.416 4.203 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccnc3-c3ccccc3)CC2)cc(OC)c1OC 759996280 YBLRPLHOMHCPHQ-UHFFFAOYSA-N 448.523 4.129 10 20 IICD CCCOc1ccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC 761032615 RKOCYEAINHJEBX-AWEZNQCLSA-N 432.904 4.368 10 20 IICD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 761882807 XBXUHNNFDNCAJV-UHFFFAOYSA-N 447.583 4.141 10 20 IICD COC(=O)c1cn([C@H]2CCCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nn1 762819274 ZSUQZEUTZYFURS-IBGZPJMESA-N 433.472 4.349 10 20 IICD O=C(NCc1ccnc(OC2CCCCC2)c1)NCc1cccc(Br)c1O 764769393 NBEYECHFAODMFI-UHFFFAOYSA-N 434.334 4.261 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OCC(F)(F)F)cc1 765257533 ZATHHPDQDJEWNW-LPHOPBHVSA-N 435.490 4.180 10 20 IICD CC[C@H](CSc1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765980845 TUOQXVNKTYBINX-LJQANCHMSA-N 439.046 4.235 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nn1-c1ccccc1 772217392 CUKUYRYYIQNUBG-UHFFFAOYSA-N 445.567 4.205 10 20 IICD C[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(N2CCCCC2)cc1 773002538 WACASOZMIGOSQB-NRFANRHFSA-N 441.641 4.322 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 773764023 ZOEFQIUKVCVZGH-CYBMUJFWSA-N 443.297 4.409 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773844941 FAUSZYAABAJXPZ-AWEZNQCLSA-N 437.462 4.376 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccc(CN3CCN(C)CC3)cc2)c1O 779003655 LITRBAIYRPELKW-QGZVFWFLSA-N 432.406 4.061 10 20 IICD COc1ccc(C[C@H](C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 781154605 SOLMPJQGLCHBDX-INIZCTEOSA-N 448.510 4.269 10 20 IICD CCNC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783485815 KVRIWCPPDZNNLY-KRWDZBQOSA-N 445.523 4.143 10 20 IICD CC[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1cccc(C(F)(F)F)c1 786655475 DYLWFHJGYAAGQA-QFIPXVFZSA-N 447.501 4.184 10 20 IICD C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cccc(C(F)(F)F)c1O 788645274 OMBMWCNFOUJMQD-MRXNPFEDSA-N 435.490 4.087 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N(CC)CC)cc3)sc2C1 789369438 AVAUZPHEXIXTBE-MRXNPFEDSA-N 428.602 4.101 10 20 IICD O=C(NCCCCn1cc(Br)cn1)N(Cc1ccco1)Cc1ccccc1O 792225641 LFKYZXRZEJJQBW-UHFFFAOYSA-N 447.333 4.136 10 20 IICD C[C@H](Oc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1)C(=O)O 794687111 QPJMSJJFKJGLER-HTMJNSLASA-N 428.535 4.010 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 798064991 KSGORFVWVDVFQO-GCJKJVERSA-N 447.539 4.338 10 20 IICD CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCC5)n3)ccc2NC1=O 799187303 PISGEXVBHHRTLG-UHFFFAOYSA-N 440.550 4.077 10 20 IICD COc1ncc(/C=C\C(=O)N(Cc2ccccc2Br)c2cncc(C)c2)cn1 799400062 NPBRMZJVYAZSOE-FPLPWBNLSA-N 439.313 4.198 10 20 IICD C[C@H](NCCCNC(=O)/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800507155 ULWFEGHTFHIPOY-BLRBJFNZSA-N 427.976 4.047 10 20 IICD COCCN(Cc1cccnc1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800719322 JKKYMBOMRPBLMG-GOSISDBHSA-N 430.980 4.330 10 20 IICD CCOCN(C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1c(C)cccc1CC 801526921 AEDLLOCAEWFFOM-NRFANRHFSA-N 439.600 4.072 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(-c4ccccc4)c3)cc2)C1 806758127 FRCLINAOOXVTTM-QFIPXVFZSA-N 428.536 4.377 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815370490 MRZYELBFAYDLAO-UHFFFAOYSA-N 443.853 4.292 10 20 IICD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)Cc1cc(C)n(-c3ccc(Cl)cc3)c1C)C2 818944830 VOUBPOUZKLWAOQ-GOTSBHOMSA-N 444.019 4.390 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916458181 FFXUGBZHULFLQW-UHFFFAOYSA-N 449.473 4.067 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OCC(F)(F)F)cc1 916672550 GDWQZOOEJFNSFQ-UHFFFAOYSA-N 441.425 4.050 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1C 917924404 QRJQKBHVYHIMBM-UHFFFAOYSA-N 433.511 4.453 10 20 IICD O=C(NCc1cc(F)ccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 918104793 YFMCQLCPIIXKOU-QGZVFWFLSA-N 437.309 4.185 10 20 IICD CCC(CC)C(=O)N1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 918231876 IHDKGVVXPQYEHJ-UHFFFAOYSA-N 428.621 4.246 10 20 IICD CN(C)Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 918561637 DBCLGOOXCRCZLC-QGOAFFKASA-N 445.635 4.430 10 20 IICD COCCOC(=O)Nc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 920234830 CHHNCGJAJLYLHZ-UHFFFAOYSA-N 439.468 4.414 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OCC(C)C 920473955 ZUFUJKJPMXVXSA-DEDYPNTBSA-N 434.627 4.416 10 20 IICD Cn1c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc2ccccc2c1=O 21729564 IPGPIOOLCYAGSK-GOSISDBHSA-N 432.549 4.268 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1F 236965660 BGYLOMNERCUGQR-KDURUIRLSA-N 427.564 4.211 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 236968896 ZCXHAHCMLXLKEZ-HXUWFJFHSA-N 437.609 4.472 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCSc4c(F)cccc43)cc2F)CC1 303356949 ZRPKRFFRWMPGMU-HXUWFJFHSA-N 446.567 4.143 10 20 IICD Cc1c(CNC(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)n(C)c2ccccc12 472222748 OBUBVUHBNDTDAR-IBGZPJMESA-N 444.535 4.337 10 20 IICD CN1c2cc(Br)ccc2N(C(=O)c2cn(C)nc2-c2cccnc2)CC1(C)C 684641304 IRTXGHNGUXNATH-UHFFFAOYSA-N 440.345 4.120 10 20 IICD CCCCOc1ccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1OC 726612705 FEQQOMHPJULSQH-UHFFFAOYSA-N 441.572 4.351 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)C2CC2)cc1 727037452 GDHIINNWGYINJV-UHFFFAOYSA-N 438.547 4.012 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 728836167 SOSPTUANBQDPME-UHFFFAOYSA-N 425.435 4.032 10 20 IICD CC(C)COc1ccc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 730131083 OAGUZXGAIHFHPN-QHCPKHFHSA-N 426.557 4.360 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3Oc3ccccc3)cc2)CC1 731131449 IVLXPEABEWBXRN-UHFFFAOYSA-N 444.535 4.365 10 20 IICD Cc1oc2c(CN3CCCN(C(=O)C(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 738090728 RSEJRCLSTZZNCN-UHFFFAOYSA-N 434.536 4.164 10 20 IICD COc1cc(N(C)CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1OC 741795765 PGHFUPGJSBZAPV-QFIPXVFZSA-N 444.528 4.255 10 20 IICD COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742798419 NENFLGSVDKOQJI-KRWDZBQOSA-N 432.467 4.045 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 745649546 WXXWGACCAKNIFR-UHFFFAOYSA-N 448.542 4.456 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](Oc1ccccc1)c1ccccc1 746010270 AZAXDQFOHVLDJF-RUZDIDTESA-N 434.511 4.223 10 20 IICD Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 747304075 FXUSZAIBJBBCEN-FDDCHVKYSA-N 433.556 4.316 10 20 IICD COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)C2)cc1 749934775 WLEJALYGHKLBDR-BBTUJRGHSA-N 441.547 4.147 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1N1CCSCC1 750318511 IFAJWUGAKPUDLY-UHFFFAOYSA-N 442.654 4.423 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2F)C[C@H](C)O1 750626403 AOSCUQXWOLWIQN-HOTGVXAUSA-N 425.504 4.280 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2F)C[C@@H](C)O1 752897086 ZGMYIKLSBPJEMG-IYBDPMFKSA-N 447.501 4.102 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)c(F)cc1O 756412134 SHSJSRXQZNLJHK-LBPRGKRZSA-N 439.300 4.388 10 20 IICD C[C@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(Br)c(F)cc1O 757610076 ACBYRLIUJVJKOR-LBPRGKRZSA-N 436.325 4.169 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)cc(OC)c1OC 760094519 FVRVGJUMULEILA-QHCPKHFHSA-N 439.556 4.004 10 20 IICD C[C@@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O 761177231 HSHOVUACXPDFKW-HNNXBMFYSA-N 442.357 4.357 10 20 IICD CN1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 762585915 CRJRRIXBRXTTMG-AUSIDOKSSA-N 442.966 4.348 10 20 IICD CC(C)(C)c1nn(-c2ccccc2Cl)cc1/C=C1\SC(N2CCOCC2)=NC1=O 763290913 WKMLRGPKDBNJBW-ATVHPVEESA-N 430.961 4.126 10 20 IICD COc1cc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1OC 765128477 VUEAICWAHAWHGU-ZACQAIPSSA-N 432.536 4.316 10 20 IICD O=C(Nc1cccc(OCC(F)F)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765322450 BBOPEBJJCRCKND-UHFFFAOYSA-N 442.413 4.117 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)n2)cc1 767670498 FBVROACLFLBNOQ-HNNXBMFYSA-N 448.541 4.474 10 20 IICD COc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 768913775 AKIMOMIRIRUSKC-UHFFFAOYSA-N 444.827 4.390 10 20 IICD COc1cc(N[C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc(OC)c1 769243394 QNKMTQGTXNHDQD-LJQANCHMSA-N 434.540 4.223 10 20 IICD C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 769957975 BPWNSRKCMRASOH-VQTJNVASSA-N 435.568 4.029 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(O)c(F)c2)no1 771223343 KROARTAYONSTJC-XNTDXEJSSA-N 447.538 4.477 10 20 IICD CN1CCN(c2ccc(CN[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)cc2)CC1 771833024 QXIXRFLIUWUPAO-SANMLTNESA-N 443.570 4.458 10 20 IICD C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119555 ILUHLHWLIBUTQA-JPYJTQIMSA-N 427.976 4.018 10 20 IICD CC(C)(C)OC(=O)c1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 776067719 DNURJOYRUZKICU-NRFANRHFSA-N 440.540 4.238 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c1C 779265638 RNBFZMBJPWJCHD-UHFFFAOYSA-N 435.499 4.266 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 783316977 RXVBHDVJORSSFC-UHFFFAOYSA-N 439.890 4.383 10 20 IICD COc1cc(N2CCN(C(=O)C3(Cc4ccccc4Cl)CC3)CC2)cc(OC)c1OC 784161394 HWIUAJGOIJMIGM-UHFFFAOYSA-N 444.959 4.037 10 20 IICD CN(C)c1ccc(CN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C2CC2)cc1 792989139 ZFFZEPVAEJGPAB-UHFFFAOYSA-N 444.601 4.081 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 793785074 RQKFBFMPTZYRCK-GOSISDBHSA-N 440.437 4.470 10 20 IICD C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(N2CCCCC2)c(F)c1 794830267 VEYFEWFHMOAMKU-VLIAUNLRSA-N 434.353 4.456 10 20 IICD CC[C@@H](Nc1cc(CS(C)(=O)=O)ccc1OC)c1cc(Br)ccc1O 797037420 AXZLCFNHLSMXIX-OAHLLOKOSA-N 428.348 4.271 10 20 IICD Cc1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc(O)c(O)c2)c(Br)c1 799025150 MFXIGDAPCREXEX-OTIVFRFGSA-N 446.341 4.390 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)c(Br)cc1Cl 799233969 ZQPIRTXFTHNWPU-UHFFFAOYSA-N 442.716 4.400 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)c1ccc(N(C)C)cc1 799259805 ICQONLGKVYOYES-SNVBAGLBSA-N 442.716 4.124 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCCc3cn4c(n3)CCCC4)cc2Cl)C1 799862679 AWMXVZZKDMELDE-KRWDZBQOSA-N 429.996 4.151 10 20 IICD C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C 805370465 NCWKVJWKBMUPOT-FZMZJTMJSA-N 432.348 4.286 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807270460 WWRNNMLUGCBNRV-KRWDZBQOSA-N 442.537 4.252 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 807513089 SXOCUVOWDXYLIQ-UHFFFAOYSA-N 443.286 4.185 10 20 IICD C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(N(C)C)cc1 813720086 QTBTVHJDRBVQPG-PKOBYXMFSA-N 430.593 4.435 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3)SC2=S)cc1 814284338 RBPQHXLDMLKOEN-FYJGNVAPSA-N 435.574 4.384 10 20 IICD COCCOc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)ccn1 857449344 ACLJQAYDILYUBC-UHFFFAOYSA-N 435.524 4.028 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc(Nc2ccccn2)n1 857473524 ZZAGMGKORFCKKG-MRXNPFEDSA-N 443.960 4.035 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])c1 916102432 PUVALGKWGBAYBS-UHFFFAOYSA-N 440.846 4.081 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1ccn(C)c(=O)c1 916438078 AGJDORREGKYKEE-IBGZPJMESA-N 429.442 4.311 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 916698444 VBMHLASQGAKTEV-UHFFFAOYSA-N 430.499 4.066 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN=c3nc(-c4cccs4)[nH]c4ccccc34)cc2)C1 917391040 JHQOVPUHPWRLAP-GOSISDBHSA-N 443.576 4.094 10 20 IICD COc1ccccc1-c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1 918139808 DVYGFOPGMBQYNC-HZPDHXFCSA-N 439.487 4.033 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(Br)s1)c1ccc(N2CCOCC2)cc1 920868756 LGNOBCZFKHTICB-AWEZNQCLSA-N 438.391 4.250 10 20 IICD O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 921073441 HJFPSDPYAQSXKU-UHFFFAOYSA-N 440.346 4.136 10 20 IICD O=C(CSc1nc2ccccc2[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1319746159 QZAZICJDCAXIPK-CQSZACIVSA-N 432.496 4.042 10 20 IICD Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)cc2o1 1320649457 DUAKXVFEZZJEID-UHFFFAOYSA-N 430.467 4.277 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3OCc3csc(C)n3)CC2)cc1 1341407087 NNZYVWJEHLULBH-UHFFFAOYSA-N 437.565 4.392 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]c(C(F)F)nc4c3)cc2F)C[C@H](C)O1 110743673 FNZLFFVSFXCFLT-STQMWFEESA-N 432.446 4.183 10 20 IICD COc1ccc2oc([C@H](C)NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)c2c1 303354643 ZEZDEWJXAXCJOZ-INIZCTEOSA-N 441.503 4.286 10 20 IICD CC(=O)Nc1cccc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 725912360 LBHSFQUBUCLKGP-UHFFFAOYSA-N 433.847 4.431 10 20 IICD C[C@H](COc1cccc(F)c1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726613098 NDCNFVMUGACUFR-OAHLLOKOSA-N 437.462 4.163 10 20 IICD CCN(C)Cc1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726708944 HOCWFAWSVAYGBB-UHFFFAOYSA-N 446.542 4.208 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(Br)cc3)CC2)cc1 726715390 QBKLNEFEOKZABS-UHFFFAOYSA-N 432.362 4.268 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 727245222 FJKCNFQSIRCUEV-UHFFFAOYSA-N 433.511 4.399 10 20 IICD Cc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 727245732 GNDGZPMUUZDVIO-UHFFFAOYSA-N 439.518 4.447 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c(F)c1 727250415 KFOVBXKPBDTRAC-UHFFFAOYSA-N 430.429 4.045 10 20 IICD CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 727612708 QNADTOMUGIAXJO-UHFFFAOYSA-N 426.444 4.079 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCn2cccc2[C@H]1c1ccccc1 729594659 RYVBQZWIGXVVQA-XMMPIXPASA-N 432.593 4.356 10 20 IICD Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CC2 730191158 JIXDAOJFKXDMBP-FQEVSTJZSA-N 426.428 4.096 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1F 731363829 MDAQOGYHZLVJIV-UHFFFAOYSA-N 427.568 4.303 10 20 IICD CCNC(=O)COc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 731899780 SVWZMIKGCYLYHG-UHFFFAOYSA-N 425.529 4.274 10 20 IICD Cc1ccc(C2(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CCOCC2)cc1 731975670 MHRRAZHIJUEQNX-WOJBJXKFSA-N 440.559 4.112 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(C(C)C)c2)nc1-c1ccc(Br)cc1 743046286 UQZRISPVALBVEI-UHFFFAOYSA-N 441.376 4.459 10 20 IICD CCCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743095010 UNUXQWPXHLABJU-GOSISDBHSA-N 446.498 4.218 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 743401941 NRLYIRYHKKSOFB-UHFFFAOYSA-N 447.539 4.292 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 745846209 DRFFXHWDXALDML-HXUWFJFHSA-N 428.964 4.133 10 20 IICD CCOCCOCc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C 746035309 SKNOVIVBZLQRRX-HXUWFJFHSA-N 441.572 4.267 10 20 IICD Cc1cc(C(=O)[C@H](C)Sc2ncc(CO)n2C)c(C)n1-c1ccc(OC(F)F)cc1 746139513 PCBHZDFNSGJTPT-AWEZNQCLSA-N 435.496 4.285 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)c1ccc(C)o1 746952241 OYMIXIYBPKZLMN-PZJWPPBQSA-N 440.588 4.363 10 20 IICD COc1ccc(-c2csc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1 747580995 KYLDVJRLAKAXIU-UHFFFAOYSA-N 437.565 4.260 10 20 IICD CC(C)n1ncc2c(C(=O)NCc3ccccc3O)cc(-c3ccc4c(c3)OCCO4)nc21 748349939 MFKJQAIRZRUTHZ-UHFFFAOYSA-N 444.491 4.086 10 20 IICD C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 748631671 DDFKQXOSXBEZQZ-JHVJFLLYSA-N 429.358 4.267 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(c2cccc(O)c2)CC1 749666420 KEXKFNHQSFDGJH-UHFFFAOYSA-N 429.480 4.095 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 749992958 SMOQSKXGHSMEFO-QGZVFWFLSA-N 434.970 4.410 10 20 IICD O=C(COC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)Nc1ccc(N=Nc2ccccc2)cc1 750134316 FJIWRHCWOOMRHO-GOSISDBHSA-N 434.496 4.232 10 20 IICD O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H](NCc2ccc(N3CCSCC3)cc2)C1 751597697 YFEUXWUSAFZIJO-UNMCSNQZSA-N 449.620 4.327 10 20 IICD Cc1ccc(F)c(N2CCC[C@@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)c1 751931578 OXAHRUCSTAUSDH-HXUWFJFHSA-N 439.512 4.116 10 20 IICD Cc1ccc([C@@H](CN[C@H](C)c2cc(Br)cc(Cl)c2O)N2CCOCC2)o1 756364362 JYUHSYZQNZEPRK-CXAGYDPISA-N 443.769 4.434 10 20 IICD C[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc2ccccc2c1O 756433257 CNTTXXJHEVKXLW-LJQANCHMSA-N 433.552 4.057 10 20 IICD COC(=O)CCSc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 756481447 KCLIJWRDFQXLEB-QGZVFWFLSA-N 443.569 4.061 10 20 IICD C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)ccc1O 756572238 JMKMLCNUPPDSMR-MRXNPFEDSA-N 425.504 4.137 10 20 IICD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 760888823 MMOFWYBDLJKJOK-UHFFFAOYSA-N 428.536 4.253 10 20 IICD COc1ccc(N2CCCN(Cc3ccc(OCc4ccncc4)c(OC)c3)CC2)cc1 768998035 KTBUVZZTKFTXRU-UHFFFAOYSA-N 433.552 4.390 10 20 IICD C[C@H](CS(C)(=O)=O)N(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C1CC1 772116347 MYOTUOUYJILDAS-MRXNPFEDSA-N 428.558 4.206 10 20 IICD Cc1cc(CN2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)no1 772632050 VMFOJICLRRFQCT-UHFFFAOYSA-N 432.528 4.422 10 20 IICD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 773848420 WXIYAYWDMJDKDG-GOSISDBHSA-N 447.583 4.360 10 20 IICD C[C@H](N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1ccc(N(C)C)cc1 774481839 IFBUTBHUVRKYDO-BVZFJXPGSA-N 431.536 4.190 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 776060272 ZLLWTDDXWHYANJ-UHFFFAOYSA-N 445.567 4.325 10 20 IICD O=C1/C(=C\c2ccc(Br)c3cccnc23)SC(=S)N1Cc1ccon1 777874855 HTXLFQCPCRWTJM-RIYZIHGNSA-N 432.324 4.387 10 20 IICD COc1cc(C)ccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 780808381 IBEXUCFQOUAPCV-FQEVSTJZSA-N 427.545 4.065 10 20 IICD CN(CC1(c2ccccc2)CC1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 781164164 NDMUACYXFWMENZ-UHFFFAOYSA-N 442.562 4.058 10 20 IICD Cc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1OCC(F)F 784108183 FTBFWDLOELJCMT-UHFFFAOYSA-N 431.483 4.383 10 20 IICD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784108513 YSCFFHPNFBMNET-UHFFFAOYSA-N 428.920 4.043 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 788938364 DRUUIVTVIQYAFT-LJQANCHMSA-N 439.453 4.098 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc3c(s2)CCCCCC3)cc1 789369494 DQFWGDBLOBWPAZ-UHFFFAOYSA-N 428.602 4.245 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc(CN(C)C)cc3)n2)cc1Cl 789728825 ZDQYVKAFNQZFHK-UHFFFAOYSA-N 437.974 4.335 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C(CC)CC 792493714 YNMAULIEJKNUSY-UHFFFAOYSA-N 427.593 4.337 10 20 IICD C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)Cc1ccccc1O 793353053 QFWRXQNGQMTFCU-CQSZACIVSA-N 438.309 4.160 10 20 IICD CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c1 794583610 BLOOUEISFXUMEN-UHFFFAOYSA-N 446.960 4.044 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cc2)C1 797434686 UTTXHSGJIFVMRX-SFHVURJKSA-N 449.486 4.110 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@]2(CCO[C@@H]2C)O1 799994402 LMOOQJBDXMYXMX-OIMFZILRSA-N 435.996 4.054 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(C)c1 800636346 JUFSAUBFLHHQIU-HNNXBMFYSA-N 429.948 4.148 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 801946944 QRFCJZACVXOESZ-UQBPGWFLSA-N 435.572 4.147 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 804332237 HXQWNKIOWBVRDZ-OAQYLSRUSA-N 445.485 4.211 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1Cc2ccccc2CO1 809261175 YPQLFBCBFVALLO-BOPFTXTBSA-N 430.576 4.204 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCc1cncn1C 811924798 JMCGZMDBZPYESG-LJQANCHMSA-N 431.462 4.415 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cccc(N4C(=O)NC(C)(C)C4=O)c3)cc2)CC1 812974360 ZSKJVLNRKKDETL-UHFFFAOYSA-N 449.555 4.079 10 20 IICD C[C@@H]1CN(C(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)C[C@@H](C)O1 814771261 NJIWXGFMDNIXDQ-ZHBLNATMSA-N 432.592 4.241 10 20 IICD CC(C)N(C)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1F 916683717 GBDMUNPVYBCRTB-UHFFFAOYSA-N 428.552 4.201 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 917313581 WJNXKGCTVKCHSV-UHFFFAOYSA-N 429.270 4.272 10 20 IICD CSCCCN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCCO3)SC1=S 917641884 CLJRFIABMUEDFV-UKTHLTGXSA-N 446.413 4.175 10 20 IICD CCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918217707 KPEGBRISCYDSKI-UHFFFAOYSA-N 425.504 4.313 10 20 IICD O=C(Nc1ccc(Cc2ccncc2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294191 MMHYXJUIWIMBAS-UHFFFAOYSA-N 441.487 4.139 10 20 IICD Cc1ccc(-c2nc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)cs2)cc1 918782917 NUCSDBQWAPENMI-QGOAFFKASA-N 445.635 4.042 10 20 IICD Cc1nc(-c2ncccn2)sc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 919438714 DOXSARQDLUVJGG-UHFFFAOYSA-N 432.505 4.356 10 20 IICD O=C(NCCc1ccc(OCc2ccccc2)cc1)NCc1ccc(N2CCOCC2)cc1 919790198 QKXAECJVBJDWSH-UHFFFAOYSA-N 445.563 4.144 10 20 IICD COc1ccc(Br)c(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 919895491 NUZXERQBLQYFTQ-UHFFFAOYSA-N 444.373 4.242 10 20 IICD CCOC(=O)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12)CC(F)(F)F 920397307 IYFDKWDRDUPCAL-UHFFFAOYSA-N 449.425 4.401 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1nn(-c2ccccc2F)cc1Br 1117507294 GQSBXXKOUUOUJS-UHFFFAOYSA-N 436.628 4.216 10 20 IICD Cc1nn(C)cc1CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 1320926640 QYFIJZRFTUWQDT-UHFFFAOYSA-N 445.466 4.096 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1)c1cc(O)nc(O)c1 1789004540 BHAUQBGWOUDRBI-UHFFFAOYSA-N 443.459 4.301 10 20 IICD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)c[nH]1 1790776702 KRZNKQGUVXIPSU-UHFFFAOYSA-N 439.899 4.449 10 20 IICD C/C(=C\c1ccc(C)o1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1798532595 XOHZJCYWJPJQIT-VKKPSFOXSA-N 444.915 4.008 10 20 IICD O=C(c1cc2sccc2s1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501496 WMUNRSYNSFGJTG-UHFFFAOYSA-N 448.953 4.158 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(OCc2ccccc2)cc1 10907048 NSPMKTYEWAPSGP-UHFFFAOYSA-N 446.547 4.140 10 20 IICD Cc1cc(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc(F)cc1 27389381 UWIPMQWLSCYXRK-UHFFFAOYSA-N 436.512 4.267 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(Nc2cccc(F)c2)sc1=S 28786526 YHQLXRWCFWVYFJ-UHFFFAOYSA-N 445.589 4.483 10 20 IICD O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801667 JTOUMCMIERNJCY-WOJGMQOQSA-N 433.938 4.261 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 728466943 CVRGOOVPCWZAAK-UHFFFAOYSA-N 434.540 4.022 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)[C@H](C)c3ccc(F)cc3)cc2F)CC1 730133456 SVSNAIBWEKFXLZ-GOSISDBHSA-N 430.543 4.399 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)sc2C)cc1 734975719 YUAAMRNVLIVSFK-UHFFFAOYSA-N 441.578 4.158 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 738459948 IVJVDZGMSVPRAJ-WIYYLYMNSA-N 439.531 4.028 10 20 IICD Cc1cc(C(=O)NCCCOC[C@@H]2CCOC2)c(C)n1-c1ccccc1Br 740844388 XWDNDJXUUIKHOS-KRWDZBQOSA-N 435.362 4.030 10 20 IICD Cc1cc(CC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(C)n1-c1ccc(Cl)cc1 741942531 HKHOJMUJBSRINQ-UHFFFAOYSA-N 438.959 4.089 10 20 IICD CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 741964089 GUOICWKYTZMPES-KRWDZBQOSA-N 442.471 4.464 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1F 743906775 WDFGQUBBAUFYSG-UHFFFAOYSA-N 425.426 4.032 10 20 IICD Cc1nn(C)c(C)c1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 745931734 ZCNRKTWACUEEHY-UHFFFAOYSA-N 434.500 4.314 10 20 IICD Cc1cc(CCNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1ccccc1 746677144 RQUAYPKNMUUJDX-UHFFFAOYSA-N 425.554 4.003 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 746747031 CTIHJECQYICQFM-UQBPGWFLSA-N 428.548 4.077 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 750308172 RXCDVAHFZCVZAB-UHFFFAOYSA-N 430.508 4.097 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 750874063 FLXTXRUQAUPVCP-HSZRJFAPSA-N 447.535 4.419 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C\c3cnc(C4=S=CC=C4)s3)nc(O)c2c1C 751514553 ZGMIGCHRHRISQO-UXBLZVDNSA-N 449.966 4.311 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc(-c2noc(C3CC3)n2)c1 765299326 FHSDPKFLDWXLIH-UHFFFAOYSA-N 429.274 4.404 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1c1cccc(Br)c1 765756889 OAOUKMWMIGPDDG-UONOGXRCSA-N 425.120 4.337 10 20 IICD C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2CCCCCC2)cc1 765808732 JSXGGBDMKUREGJ-HXUWFJFHSA-N 427.614 4.458 10 20 IICD C[C@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 766191750 OVAULTVSKDGGBM-IBGZPJMESA-N 426.580 4.048 10 20 IICD CC(C)(C)OC(=O)N(CC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 767885548 UPZHPJYSCINUAN-UHFFFAOYSA-N 441.597 4.298 10 20 IICD Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2cccs2)n1 768420930 JNOWGNUMKBVKMU-CQSZACIVSA-N 432.496 4.149 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Br)c(F)c1 768509123 PTMGFZFKLWYRGQ-RHSMWYFYSA-N 434.353 4.141 10 20 IICD CCCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 772017352 BKEWUGWGSKEDKT-LJQANCHMSA-N 428.558 4.207 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N(C)C)cc1 773845582 IEOROMXJBDRWGE-INIZCTEOSA-N 428.964 4.212 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(OC)cc1 775225050 ZYNULTZTXVHCJF-XMMPIXPASA-N 449.551 4.151 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)CC1 776302122 IZLJJVWFXIKASK-UHFFFAOYSA-N 448.953 4.469 10 20 IICD C[C@H](C1CC1)n1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 779504639 MGTTXBCWMGZOOY-CQSZACIVSA-N 437.466 4.031 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C1CCCCC1 781350849 MXHNGEVKCWGAJZ-IBGZPJMESA-N 430.980 4.450 10 20 IICD COC(=O)[C@H](Cc1ccc(Cl)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 783569005 GUWOMEKQAVEQPS-FQEVSTJZSA-N 438.902 4.284 10 20 IICD Cc1cc2c(Br)ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2o1 785538959 NAGNTTWNMRKUJH-UHFFFAOYSA-N 429.314 4.270 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(Cl)c1 787346983 CKAHLPHTDPDWDH-HXUWFJFHSA-N 426.900 4.435 10 20 IICD Cc1cc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)sc1Cl 788886776 QZZJKTJZJCYAPN-UHFFFAOYSA-N 436.933 4.259 10 20 IICD COc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(S(C)(=O)=O)cc2)SC1=S 792567454 BDGHXLWBYYSZGJ-CXUHLZMHSA-N 439.967 4.158 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(O)ccc1C(F)(F)F 793688666 GMLWHHOZNVXGDS-CQSZACIVSA-N 428.838 4.164 10 20 IICD CN(C)c1ccc(CNC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1F 797441092 PBZAQUMQGJYHTN-UHFFFAOYSA-N 429.927 4.191 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCCCNC(=O)/C=C/c1ccccc1 800523669 QXYLGGNVUMERTK-MDZDMXLPSA-N 430.346 4.407 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1 800763708 SMHCIQIZXJLGBC-XMMPIXPASA-N 432.568 4.277 10 20 IICD C[C@@H]1CC(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H](C)O1 801785861 AJLZEVJRBVHAAR-JFIYKMOQSA-N 425.520 4.150 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC 802610441 ZZVQQJGQWJEQCP-UHFFFAOYSA-N 449.555 4.001 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1)C1CCCCC1 803677795 TUWLEVBRDMCCJI-NZQKXSOJSA-N 443.632 4.029 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccc(F)cc3F)C3CC3)cc2)CC1 805020002 MTSPNBBTXXXXNW-UHFFFAOYSA-N 441.522 4.009 10 20 IICD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 810346798 YDNMLPNBROQTRI-UHFFFAOYSA-N 444.457 4.114 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 812010121 VJCKIKCOTVGQRG-WOJBJXKFSA-N 427.549 4.204 10 20 IICD O=C(CCc1ccc2ccccc2n1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 813412515 AJHBBYZFSUQZES-UHFFFAOYSA-N 443.469 4.339 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(OCC(F)(F)F)c1 857471775 ABYPABMNKYXMOL-KRWDZBQOSA-N 442.865 4.381 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 918308584 MUMJMNGZUQJCNS-UHFFFAOYSA-N 449.473 4.215 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(-c4csnn4)cc3)cc2F)C[C@@H](C)O1 919913616 VLDCJMCEMDEHME-GASCZTMLSA-N 441.532 4.280 10 20 IICD C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 920887782 IDQYDUNQNAYVIX-GOSISDBHSA-N 432.495 4.384 10 20 IICD CCOc1ccc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)CC2)cc1 1319488527 DNAVWWGOWVHXAE-UHFFFAOYSA-N 428.960 4.136 10 20 IICD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cn1C 1797112156 WHKSSLJVBMJYEG-RHHYMUMYSA-N 444.579 4.307 10 20 IICD COc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2ccccc12 18215419 OVQCTOMHDJPDEG-UHFFFAOYSA-N 445.563 4.083 10 20 IICD COc1ccc(N2CCCN(c3ccc(C(=O)N4CCc5ccccc54)cn3)CC2)cc1 301226926 GMWSSKTXGFFMPU-UHFFFAOYSA-N 428.536 4.010 10 20 IICD Cc1c(CNC(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)n(C)c2ccccc12 472221869 GOSNYVCYMBOWSU-SFTDATJTSA-N 444.579 4.464 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 542027325 XHSUHDXNQVZWRQ-WJOKGBTCSA-N 435.549 4.491 10 20 IICD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 725775767 RGZGMBHRTYFDQY-UHFFFAOYSA-N 429.520 4.457 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1(c2ccccc2)CCC1 727227565 LVRJKKGNZVWBMO-UHFFFAOYSA-N 433.474 4.421 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 728699387 SUSOXMAIKBCESX-QXSWTLKVSA-N 430.304 4.020 10 20 IICD COc1ccccc1NC(=O)[C@H](C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731037216 XLGLMAKIHKSMMY-KRWDZBQOSA-N 439.556 4.500 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1C(=O)NC(C)C 731281266 DAAWYJDMWNWKPH-UHFFFAOYSA-N 426.586 4.008 10 20 IICD Cc1ccc(Nc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2)nn1 736073180 BWLKIAGTURYPIH-XMMPIXPASA-N 445.567 4.416 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CC[C@H](COC)C2)sc(C)c1-c1ccccc1 739923127 TZUVIHZMLKLASB-KRWDZBQOSA-N 430.570 4.197 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1 741096697 BJPCAQPPCIOFMQ-UHFFFAOYSA-N 433.552 4.167 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3cc(Br)c(OC)s3)SC2=S)cn1 746521646 CISPERBXVCHTGB-VZUCSPMQSA-N 430.374 4.141 10 20 IICD CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752028047 AYHKKOZOAHSYED-OXQOHEQNSA-N 425.520 4.007 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3ccn(-c4ccc(F)cc4F)n3)cs2)cc1 753405088 IZHMEGPJIDQMQX-UHFFFAOYSA-N 426.448 4.137 10 20 IICD Fc1cc2ncnc(NCc3ccc(N4CCOCC4)c(F)c3)c2cc1Br 753549490 PMDWZGNMODBGSH-UHFFFAOYSA-N 435.272 4.119 10 20 IICD Cc1cc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)s1 754117740 CMUNGOIOWWHNPU-UXLLHSPISA-N 433.593 4.085 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(OC2CCOCC2)cc1 754535617 GVCZUTFHKANLDD-UHFFFAOYSA-N 427.456 4.272 10 20 IICD C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(Br)cc1O 756466300 OFAAUFRPKNIUKI-ZDUSSCGKSA-N 441.391 4.082 10 20 IICD C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 758448983 KPATWQAEOKJFIL-IERDGZPVSA-N 430.499 4.445 10 20 IICD CCOCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCC1 760741582 CUIYGVOWGTYRJX-RTBURBONSA-N 435.584 4.226 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 761973484 QOQOIJYBTDDXEJ-ORAYPTAESA-N 434.920 4.497 10 20 IICD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 763279043 HTUXOLOKCBRVNQ-LBPRGKRZSA-N 444.329 4.024 10 20 IICD O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 764766153 GDRXOENYBXEISW-ZDUSSCGKSA-N 438.753 4.134 10 20 IICD COc1c(C(=O)NCc2cccc(Br)c2O)sc(C)c1Br 765728431 RUOAYUWSZIEJDN-UHFFFAOYSA-N 435.137 4.226 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc(Oc2ccccc2)c1 765931621 PCSGKTDFEUVTPI-UHFFFAOYSA-N 441.281 4.202 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1ccc(-c2ccccc2)cc1 766594554 FKNFZFHEJSPHJZ-VWLOTQADSA-N 447.604 4.440 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)cccc12 766743355 LGXJTCOZPNPHKH-UHFFFAOYSA-N 445.547 4.316 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c12 768914169 CSSAVMHADSOTRZ-QGZVFWFLSA-N 440.931 4.162 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nn1-c1ccccc1 772580554 WTNFEBFHWQWWBQ-QZTJIDSGSA-N 437.519 4.255 10 20 IICD COc1cc(Br)c(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC 773270236 SLOCHUWXBUDDQO-CYBMUJFWSA-N 436.350 4.093 10 20 IICD C[C@@H](NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(N(C)C)cc1 773614300 TVWCDZKMVKKRJW-GOSISDBHSA-N 446.555 4.030 10 20 IICD Cc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)n1-c1ccccn1 773738926 SZVHCZCAAAJGIK-UHFFFAOYSA-N 438.572 4.352 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773847181 QFACKMPJVFTRPP-CQSZACIVSA-N 432.362 4.454 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(C)c2O)cc1NS(C)(=O)=O 779045952 BRMGKGSAWJPPTR-NSHDSACASA-N 429.336 4.016 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccccc1Br 779074871 VRJKFOMMDOQTKT-OXJNMPFZSA-N 445.357 4.067 10 20 IICD COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 782263356 ZTDKSQANVWIOQG-UHFFFAOYSA-N 426.878 4.190 10 20 IICD C[C@H]1CN(c2ccc(CNc3nn4cc(-c5cccnc5)nc4s3)cc2F)C[C@H](C)O1 782284453 HDGZBTHUQOFZLZ-GJZGRUSLSA-N 438.532 4.218 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3csc4ccccc34)cc2)CC1 786256728 VNNWCMOFMQZFIU-UHFFFAOYSA-N 435.593 4.209 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3)cc2)CC1 786659814 QOFOPELNFGHGKP-UHFFFAOYSA-N 445.588 4.436 10 20 IICD COc1ccc(N2CCN(C(=O)NCc3nc(-c4ccccc4F)cs3)CC2)cc1F 787433293 LMRJCRPOEBINNV-UHFFFAOYSA-N 444.507 4.129 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 788094731 RODBPKZMMIEXSN-JJXUHFIVSA-N 446.494 4.194 10 20 IICD Cc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1N1CCCS1(=O)=O 792871494 LVTVRWAADDOIEP-UHFFFAOYSA-N 427.492 4.232 10 20 IICD CN(C)c1ccc([C@H](CNc2ccc(C(F)(F)F)nn2)NC(=O)OC(C)(C)C)cc1 795228006 XLIQSELUPTYRML-HNNXBMFYSA-N 425.455 4.239 10 20 IICD Oc1cc2c(cc1CN1CCC(F)(c3ccccc3OC(F)(F)F)CC1)[C@@H](O)CO2 799145707 ISYODWSRLAVHMZ-KRWDZBQOSA-N 427.394 4.177 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCCCOCC3CCOCC3)cc2Cl)C1 799933696 XDWXWFNQUHHCNZ-SFHVURJKSA-N 438.012 4.209 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc2ccccn2n1 804378458 RKSIZEJPOCMQMB-NTCAYCPXSA-N 428.564 4.016 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1F 810362782 VOSZARNZLUJZIP-UHFFFAOYSA-N 434.515 4.297 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1 812973916 MIXXDZAAQWTMDS-UHFFFAOYSA-N 437.544 4.032 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 844247208 FJXZKQZXNHGVSZ-UHFFFAOYSA-N 437.930 4.231 10 20 IICD CC(=O)CCc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 849477591 ZNJHJYIQRWOEIN-UHFFFAOYSA-N 427.456 4.001 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 914456075 NMYBVVLGTZFHDX-DEOSSOPVSA-N 447.535 4.306 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccc(F)c(F)c1 914477561 VGTHBUCAAPCTLP-MHWRWJLKSA-N 438.546 4.324 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CC1(Cl)Cl 914610060 JMKFFZWZPCTPPU-VPMLRQHESA-N 435.423 4.040 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 916097993 VKUFKLUCDNCNKF-UHFFFAOYSA-N 435.502 4.025 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 917239107 PPPNUGXNYDOOJB-FPLPWBNLSA-N 431.414 4.286 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(Cl)c3)cc2)C1 917596419 WFEFBGQPVJAQPX-CQSZACIVSA-N 437.396 4.182 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2F)C[C@H](C)O1 917712547 POIKWCQADCHJRS-ROUUACIJSA-N 448.542 4.432 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1OC 917925285 IDWZYFJVESSLIE-UHFFFAOYSA-N 449.510 4.153 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1cccc(Br)c1 918102405 UWXZUYQYHINGIP-MRXNPFEDSA-N 442.361 4.005 10 20 IICD Cc1nccn1-c1ccc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1 918112049 HSUWAEAQBMWSRH-UHFFFAOYSA-N 428.540 4.025 10 20 IICD CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918206269 AWMLFMRBWNQVGY-LJQANCHMSA-N 425.573 4.243 10 20 IICD COc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918287079 XEBXBKKYCLTSGZ-UHFFFAOYSA-N 443.507 4.398 10 20 IICD Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc12 919766539 BYQYNCHNYJQOJY-UHFFFAOYSA-N 446.576 4.221 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2cccc(Br)c2)CCCC1 919859909 KLMNEMBWABPURG-UHFFFAOYSA-N 443.385 4.414 10 20 IICD COc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1Br 1116632100 APQMCWNXQFBBTF-CQSZACIVSA-N 434.334 4.177 10 20 IICD CNc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)cc1 1845398436 NFFOALZVUAQDRH-UHFFFAOYSA-N 442.563 4.267 10 20 IICD CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C2\SC(=S)NC2=O)cs1 15187980 LUFLVHRKSGZAFD-SDQBBNPISA-N 429.470 4.335 10 20 IICD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCSc1nccs1 79310606 OBBFMICJUUGHQR-MRXNPFEDSA-N 426.007 4.240 10 20 IICD Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)c(C)n1-c1cccc(Br)c1 109590589 HKWVDJQUQDVPAZ-UHFFFAOYSA-N 428.212 4.246 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 117691030 LVDWMZFEGUHRJC-DEOSSOPVSA-N 428.488 4.230 10 20 IICD Cc1cc(C(=O)NC2CCN(CC3CC3)CC2)c(C)n1-c1ccccc1Br 195587115 BLJIDAXEYDMMDV-UHFFFAOYSA-N 430.390 4.461 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 475932915 LXSNQUNTOZUBLI-UHFFFAOYSA-N 425.492 4.040 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(C)C)nn3-c3ncccn3)ccc21 595279137 DUXGULDCMBBDAY-UHFFFAOYSA-N 432.528 4.256 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 728836711 DMLHUTOGDRMENU-UHFFFAOYSA-N 434.418 4.207 10 20 IICD CCN(CC)C(=O)COc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1Cl 729036637 FNERKDWNWSCUKS-CQSZACIVSA-N 449.935 4.184 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)NCc1cc(F)cc(F)c1 731035513 ZNXJADRZTICTLI-UHFFFAOYSA-N 445.510 4.059 10 20 IICD Cc1ccc(Cc2nnc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)s2)cc1 731114308 NJRYHDFFRNPLLJ-KRWDZBQOSA-N 437.569 4.157 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)CC1 732202234 JKFSZLZPTDQGDK-UHFFFAOYSA-N 447.579 4.077 10 20 IICD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 735517846 FHULAPMMDRKUME-HSZRJFAPSA-N 442.519 4.007 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)cc2)cc1 742026519 PLHUHDNUOFPWPQ-UHFFFAOYSA-N 448.541 4.353 10 20 IICD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742416030 JOWRTTPMIAHWAU-LFVJCYFKSA-N 448.546 4.204 10 20 IICD O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743091487 MDHOYWBMBLSPJV-MRXNPFEDSA-N 446.454 4.035 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 743179034 VZFWPAYSXJAJQT-UHFFFAOYSA-N 444.601 4.396 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 743181877 VLIIASGPLXHHNF-GOSISDBHSA-N 435.318 4.376 10 20 IICD O=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743599471 DMQXIJKDOPKJOD-DLBZAZTESA-N 431.483 4.122 10 20 IICD CC1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 751434569 GRVIVAVXCXMQNZ-SDNWHVSQSA-N 426.654 4.084 10 20 IICD O=C(c1nc(NCc2ccco2)ncc1Cl)N(Cc1ccco1)Cc1ccccc1O 752088545 LQMNPCPLTIYWRP-UHFFFAOYSA-N 438.871 4.476 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nnc(-c2ccccc2)s1 760193043 RHBYEROORQDTBP-UHFFFAOYSA-N 447.358 4.405 10 20 IICD COc1ncc(/C=C\C(=O)N(Cc2ccc3ccccc3n2)c2ccc(N(C)C)cc2)cn1 776342037 WWILRSBWBVZYHR-NVNXTCNLSA-N 439.519 4.346 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)c1O 779039533 GUENAIIJBVUJMQ-ZDUSSCGKSA-N 425.348 4.176 10 20 IICD Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cccc1C(=O)N1CCc2sccc2C1 779474688 DDOVCRCMESBSOG-VURMDHGXSA-N 434.517 4.318 10 20 IICD CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c2)CC1 780407000 BQSSLURIZCQNDL-UHFFFAOYSA-N 441.597 4.204 10 20 IICD Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1Br 783315426 DBSVQDGKHROUKO-UHFFFAOYSA-N 432.362 4.199 10 20 IICD Cc1ccc(Cn2nccc2NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)s1 784059686 QPMYJNMIWRQTRO-UHFFFAOYSA-N 437.569 4.188 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4ccco4)cc3F)cc2)C1 786493295 IPVLKYRPWDMVFA-GOSISDBHSA-N 436.487 4.109 10 20 IICD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 787062677 DFMQDNJAAVNMMA-VGSWGCGISA-N 431.964 4.267 10 20 IICD Cc1ccc2c(c1)CCN2C(=O)Cc1c(C(=O)N2CCc3cc(C)ccc32)c(C)cn1C 787492288 ONNLUSQASPGPIZ-UHFFFAOYSA-N 427.548 4.285 10 20 IICD COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)cc1C 788313130 MVCCCKBFWGMTOA-UHFFFAOYSA-N 447.482 4.482 10 20 IICD O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 798032001 HVZQVQMMGHVYBL-CZIWCDLHSA-N 446.525 4.070 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 799636558 SLJPNPZALQDHQM-UHFFFAOYSA-N 427.507 4.059 10 20 IICD Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800637219 VIZSXBXCBKEEJY-CYBMUJFWSA-N 435.355 4.188 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1 801993153 NTJZCPZJTRLDMU-QFIPXVFZSA-N 449.599 4.339 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccoc2CC(N)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 803939602 WCBKYTPSTOEQBB-UHFFFAOYSA-N 449.290 4.061 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1F 804852517 JNKSRDZUZQIQJP-MRXNPFEDSA-N 448.608 4.396 10 20 IICD CCc1noc(-c2ccc(CCNC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)n1 805060288 YAZOXLLGGPWYGV-UHFFFAOYSA-N 435.311 4.353 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 805083734 JQRLXMCLAXDKIE-GFCCVEGCSA-N 432.348 4.145 10 20 IICD CC(C)Cn1ncc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C1CC1 806814585 RGQAYNSSFUXBFO-IRXDYDNUSA-N 443.567 4.491 10 20 IICD C[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1O 815659414 BIYCTXXIPWYHPZ-LBPRGKRZSA-N 432.767 4.323 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nn(-c2ccc(Cl)cc2)cc1O 820006287 RDAXGQRGCCKSGL-UHFFFAOYSA-N 430.855 4.193 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cc2C[C@H]1C 831889544 BDTHCDHMSYQGQT-CYBMUJFWSA-N 427.551 4.217 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(O)n3C[C@H]3CCCO3)c2C)c1 844263023 PFDSVIRVFHCNPQ-LJQANCHMSA-N 440.569 4.162 10 20 IICD Cn1cnc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1Cl 914578238 OYFFSCHKGLOIRA-UHFFFAOYSA-N 429.763 4.366 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1CN1CCCC1=O 916414366 RCEZPUCMZLUOTJ-UHFFFAOYSA-N 434.584 4.141 10 20 IICD CCOc1ccc(OCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917710574 KEKKFCFKVWFDEQ-KDURUIRLSA-N 444.547 4.313 10 20 IICD COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1OCC(C)C 918139465 DSLJNDOWACWLIO-ROUUACIJSA-N 444.547 4.413 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1 918368670 DCKCICONYVGLNC-UHFFFAOYSA-N 428.330 4.292 10 20 IICD NC(=O)c1ccc(CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C2CC2)cc1 918428814 CAGNVLGSYHSIIE-UHFFFAOYSA-N 441.491 4.331 10 20 IICD CCCCCOC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 919064299 ORDQLSKBMFOETR-GXDHUFHOSA-N 428.373 4.384 10 20 IICD Cc1ccc(Cl)cc1N1CC[C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1251727566 UXTFQKORPGJMNS-HXUWFJFHSA-N 430.999 4.155 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3nccc4c(Br)cccc34)cc2)CC1 1322458926 DYPVVLQNIGTPGP-UHFFFAOYSA-N 439.357 4.278 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(OC(F)F)cc1OC(F)F 1323281291 CCDHLKOMDWVNMO-UHFFFAOYSA-N 428.426 4.358 10 20 IICD CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788672505 LJLVQFJDLXIPLE-UHFFFAOYSA-N 446.551 4.350 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 1824072182 ICKLLTZQWAIYPV-GGPKGHCWSA-N 446.975 4.031 10 20 IICD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 57512488 XZTCLXBSSKSLQZ-LAUBAEHRSA-N 443.569 4.349 10 20 IICD C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 109190980 QLOBFHJHKRFXOB-SFHVURJKSA-N 449.576 4.352 10 20 IICD CCN(CC)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 111102419 QPLYMRQUAWJALE-QFIPXVFZSA-N 449.517 4.241 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)nc1-c1ccc(F)cc1 195533986 BZJUDVIHWBGODN-UHFFFAOYSA-N 431.514 4.333 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 195681952 DQRVNZMTUBSNKV-UHFFFAOYSA-N 435.480 4.165 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(C(=O)OC)c(C4CC4)s3)ccc21 429467561 BYWITQBWEQOHFJ-UHFFFAOYSA-N 427.526 4.277 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)cn1 727249051 LHGVOVWDOZEWTQ-UHFFFAOYSA-N 445.545 4.374 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 729046795 JCLGBUMCVGUDQK-IFXJQAMLSA-N 435.927 4.391 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 734687873 DAIYKOCBLKYNEJ-UHFFFAOYSA-N 433.474 4.283 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)C(F)(F)c2ccccc2)NC(=O)OC(C)(C)C)cc1 742754188 NNIVLJZDNFMVDB-IBGZPJMESA-N 433.499 4.227 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1-c1ccccn1 742799213 VMPAFAFWMKOMRF-SFHVURJKSA-N 440.494 4.489 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(-c2ccccn2)s1 742799675 MMNRMEAKGAAXHR-AWEZNQCLSA-N 430.480 4.205 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 743871217 XETZEBGAZLXQIJ-HNNXBMFYSA-N 444.373 4.205 10 20 IICD COc1ccc(O)c([C@H](C)NC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 754140871 PYYIYJFNSPCSSA-FDDCHVKYSA-N 440.565 4.080 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCc2cc(OC(F)F)ccc21 761207041 QICDJLFTVVRUGM-QGZVFWFLSA-N 436.842 4.489 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3cc(Br)ncc3F)cc2F)CC1 762749139 QNHYYIAVMBJPGJ-CQSZACIVSA-N 439.348 4.115 10 20 IICD CN(c1ccc(CNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1)C1CCCCC1 765708181 KKQWYHUJYVDDTJ-FQEVSTJZSA-N 427.511 4.300 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC2)cc1 769843651 RNIDFMHFKHOLCW-FQEVSTJZSA-N 433.474 4.078 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)ccc2Br)c1 773408590 RQHXDOMLYCCBIX-VIFPVBQESA-N 429.108 4.417 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 774363741 LLLCAVZEQAQLPH-UHFFFAOYSA-N 442.924 4.200 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ccc3nnc(-c4ccsc4)n3n2)cc1 775513430 IYKQUWOADSUCNZ-HXUWFJFHSA-N 434.569 4.104 10 20 IICD Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(O)c(O)c3)[C@@H]2c2cccs2)cc1 778929753 NGCILODWBFALEV-FDDCHVKYSA-N 436.533 4.268 10 20 IICD Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccc(OC(F)F)cc2)C1=O 779202487 BOKZWKHANADZDO-WDZFZDKYSA-N 446.298 4.190 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)Cc2cncs2)sc(C)c1-c1ccccc1 782360915 ICJZTVJTJRDMOK-UHFFFAOYSA-N 444.534 4.081 10 20 IICD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1ccc(N2CCSCC2)cc1 782549261 GQVFYAPLGDKSPT-UHFFFAOYSA-N 448.614 4.282 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2)n1 783313509 BLJVRQIHXIXJES-UHFFFAOYSA-N 449.555 4.049 10 20 IICD Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C(=O)N(C)C(C)C 786064886 JONOVRNQPSMHAP-LJQANCHMSA-N 438.572 4.195 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 787369208 YRCXLTNDGBYRSD-UHFFFAOYSA-N 430.548 4.101 10 20 IICD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)NCCCSc3nccs3)cc2)cs1 788463982 NHTCEYPPDMTXRF-ZDUSSCGKSA-N 446.623 4.051 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCC(=O)N4C)cc2Cl)C1 800048606 GMFHZJXHTHZBLX-MRXNPFEDSA-N 425.960 4.415 10 20 IICD CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1Br 806738099 ZMLNQHKIKALMGF-UHFFFAOYSA-N 447.116 4.143 10 20 IICD COCCCN(Cc1ccncc1)Cc1cc(Br)cc(Br)c1O 809740816 JKQZRTYLNTURCS-UHFFFAOYSA-N 444.167 4.351 10 20 IICD CCOC(=O)c1ccn(-c2cccc(CNCc3cc(C)cc(Br)c3O)c2)n1 809762433 OBFLBKILPQWBIM-UHFFFAOYSA-N 444.329 4.115 10 20 IICD COc1cc(N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])cc1OC 811861870 PZDFZWAEIJADGS-MRXNPFEDSA-N 435.521 4.085 10 20 IICD CC1(C)NC(=O)N(c2cccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)C1=O 812975552 MESVSONVQNBBMR-UHFFFAOYSA-N 448.479 4.054 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 816634022 WBDFBNZLBZAGHX-IAGOWNOFSA-N 449.548 4.168 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccccc1OC(F)F)c2[N+](=O)[O-] 821722381 DCYQKKFJHZDBKX-UHFFFAOYSA-N 438.342 4.224 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3OC)n2)cc1 844251645 XDZHPOSTTFJKBI-UHFFFAOYSA-N 438.914 4.060 10 20 IICD C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 914492018 ZBLKJDSGWSAWGY-UHFFFAOYSA-N 429.520 4.391 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(COc4ccc(F)cc4)n3)CC2)cc1 917822098 AOSOTRZLEWTVPO-UHFFFAOYSA-N 441.528 4.222 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 918002716 IXVQQSOLNXVHSS-MRXNPFEDSA-N 443.498 4.423 10 20 IICD Cc1cc(CC(=O)N2CCC(C(=O)NCC(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 918188281 GVOYGPKTKXUKIN-UHFFFAOYSA-N 429.992 4.301 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccccc3Cl)cc2F)C[C@@H](C)O1 918223073 XTGNHUTWIXLOGJ-IAGOWNOFSA-N 449.954 4.313 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(OCc2ccccc2)c1 919791654 BGBGTSBRBLLIAO-UHFFFAOYSA-N 431.536 4.102 10 20 IICD C[C@@H](NC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 920921474 HLEIPERMWZTCJC-LJQANCHMSA-N 432.524 4.271 10 20 IICD CCOc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 1253442326 KGKJUKQVOBOSSM-UHFFFAOYSA-N 441.478 4.300 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cncc(-c4ccc(N(C)C)cc4)c3)CC2)cc1 1341406464 HCKRZTIUQGTZEW-UHFFFAOYSA-N 430.552 4.176 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1)C1=COCCC1 1791639106 ANGHHFAZIYUHLG-UHFFFAOYSA-N 442.899 4.193 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294373 GBGPNSMAZYXCCF-SUMWQHHRSA-N 444.919 4.137 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)c(Cl)c1 327402751 VBJJSZYYSUUFHA-UHFFFAOYSA-N 427.701 4.008 10 20 IICD Cc1nnc(Sc2ccc(NS(=O)(=O)c3cccc4nsnc34)c(C)c2)s1 522253963 QJRJNGJCTLDJCX-UHFFFAOYSA-N 435.581 4.112 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3Cl)n2)c[nH]1 727247802 NXGUWMJCPQKJMM-UHFFFAOYSA-N 432.310 4.032 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1cccc(Br)c1 727978336 SYVMTISPKNXTRG-UHFFFAOYSA-N 435.387 4.036 10 20 IICD COc1ccc(OC2CCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)CC2)cc1 728196677 RMJJDOXUYUQYEA-UHFFFAOYSA-N 433.504 4.381 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]c2ccc(Br)cc12 728207527 QNCREXBDVFVLCS-UHFFFAOYSA-N 430.371 4.414 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc21 728513604 AZLOJFOLQUHDSE-UHFFFAOYSA-N 435.568 4.013 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 728698255 MPEYJANVDDIOMS-CPNJWEJPSA-N 449.304 4.490 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC(Oc2ccccc2)C1 729373546 GXUMDHAYFDJVHH-LDADJPATSA-N 444.603 4.019 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCc2ccc3nc(O)[nH]c3c2)cc1 730211080 YEGUFNGTBBUGDC-UHFFFAOYSA-N 432.524 4.479 10 20 IICD COc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3c2ccc3c(c2)OCO3)cc1 731299722 YJHIRELASHYBQP-UHFFFAOYSA-N 443.503 4.493 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1F 731345928 MJNSXHPTWXLJMR-UHFFFAOYSA-N 444.528 4.169 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1F 731346336 VMTJQKPSOJZADZ-QBFSEMIESA-N 437.559 4.240 10 20 IICD O=C(NCCCSc1nccs1)c1cnn(-c2ccccc2F)c1-n1cccc1 733883987 IYVZGPSKNQHUGZ-UHFFFAOYSA-N 427.530 4.171 10 20 IICD Cc1ccnc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)n1 734691977 JFVXBYSESNCRBB-UHFFFAOYSA-N 443.551 4.039 10 20 IICD Cc1oc2c(CN3CCC(OCCN(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 738208871 KXNUBGKCRRNYQE-UHFFFAOYSA-N 436.552 4.017 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)CC1 740915764 SQLBRRVIJCGUPT-DENIHFKCSA-N 444.620 4.368 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2cccnc2c1C 743906812 WZEHRZGKRQBBHE-UHFFFAOYSA-N 430.552 4.343 10 20 IICD CC(C)(C)c1ncc(/C=C\C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)s1 744357136 KUUILECIVQUNHQ-ZCPJJFRWSA-N 439.581 4.261 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 747494689 BQGUMHSBXUXZBG-UHFFFAOYSA-N 436.600 4.079 10 20 IICD COc1ccc(N2CCN(C(=O)c3nc(C(C)C)n(-c4ccccc4Cl)n3)CC2)cc1 748162041 RXIXHKXLZVDGRP-UHFFFAOYSA-N 439.947 4.015 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1F 753885197 PVUGGTCXMCAKIR-UHFFFAOYSA-N 448.498 4.441 10 20 IICD COc1ccc(CCN[C@H](C)c2cc(Br)cc(F)c2O)c(OC)c1OC 756535496 NHQKSNMCHWIDLL-LLVKDONJSA-N 428.298 4.213 10 20 IICD O=C1/C(=C\c2cc(Br)cc3c2OCC3)SC(=S)N1CCc1cccnc1 764884790 GGRYRBNEBLNWHR-MHWRWJLKSA-N 447.379 4.223 10 20 IICD O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 771009478 OXMDIEDOYKIEMG-QHCPKHFHSA-N 430.504 4.211 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)cc1 773087737 JYBWEPADYLTPMM-QGZVFWFLSA-N 437.565 4.418 10 20 IICD O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 775782330 WXHUEJRXSQORQA-OAHLLOKOSA-N 443.393 4.416 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)ccc1N1CCCCC1 775995198 DCFQDKCJONSFFZ-UHFFFAOYSA-N 427.520 4.294 10 20 IICD COc1cccc([C@@H]2[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC(=O)N2C2CC2)c1 776469556 PVFHLJLRCAOSQC-AOYPEHQESA-N 447.579 4.054 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cn2c(n1)CCCC2 779799717 WVOUDWKRLPBQOR-UHFFFAOYSA-N 428.461 4.163 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1nnc(-c2ccc(Br)s2)o1 781992120 WAMYEOFFODGELB-UHFFFAOYSA-N 449.374 4.029 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C(F)F 782897210 ZJJCYHWWNNSZEG-UHFFFAOYSA-N 448.514 4.482 10 20 IICD CCOc1cc2c(cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1)O[C@@H](C)C2 784060228 ARPMCWFXEDFANQ-INIZCTEOSA-N 437.540 4.295 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 787575523 JVFQNXHHHQKSCF-UHFFFAOYSA-N 431.330 4.409 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3cccc(OC(F)F)c3)cc2)CC1 787865654 TYSMDKCCDLFVSJ-KRWDZBQOSA-N 445.510 4.018 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1csc(C(C)(C)C)n1 791251085 ZAYHIZGQLCGGJL-UHFFFAOYSA-N 431.602 4.372 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 795547409 MFSYYJLHMZGTIP-UHFFFAOYSA-N 426.466 4.044 10 20 IICD COc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)cc1F 802339446 KVJPTLCOMNLFFA-FQEVSTJZSA-N 442.535 4.014 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 802610316 UDOMGUAXEORXDB-FQEVSTJZSA-N 440.540 4.026 10 20 IICD C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 804784569 PMCZUOUYKYANBR-KXBFYZLASA-N 442.562 4.478 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl 806845409 MQDRQZTVYYDOQX-PGRDOPGGSA-N 444.959 4.067 10 20 IICD CC(C)(C)OC(=O)N1CC=C(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 807152974 UPEVSJJFBURQLG-UHFFFAOYSA-N 430.332 4.065 10 20 IICD CN(c1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 807512923 OBLAXAAVXVKLFU-UHFFFAOYSA-N 436.339 4.333 10 20 IICD CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807674257 JDZCYKXAJGTJCM-MRXNPFEDSA-N 446.389 4.131 10 20 IICD CC(=O)N1C[C@H]2[C@@H](NC(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)CCC[C@H]2C1 809194960 GUDHAIFPHVENOS-NMNUPHIUSA-N 427.976 4.053 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 810322427 KJFMNOSNFKQCLJ-LLVKDONJSA-N 438.381 4.194 10 20 IICD COc1ccccc1COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 913361705 QTYVGNAYVOQCGF-ATVHPVEESA-N 433.576 4.482 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(OCc2ccccc2)c1 916388267 DITIXLRXRLCKGD-UHFFFAOYSA-N 445.563 4.444 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N(C)CC(F)(F)F 917191868 QKVHKGSZDMAMMY-UHFFFAOYSA-N 436.297 4.445 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC(c3ccccc3)c3ccccc3)cc2)C1 917832808 GYBGEHYNDUJPIC-XMMPIXPASA-N 441.575 4.227 10 20 IICD C[C@@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 920887227 BKJWVHWNGVXXCY-MRXNPFEDSA-N 445.548 4.081 10 20 IICD Cc1cc(C(=O)Nc2c(Cl)ccc3nonc23)cc(C)c1OCC(=O)N1CCCCC1 1327162402 ZWFKEONGCVGEGX-UHFFFAOYSA-N 442.903 4.137 10 20 IICD CO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157354 HGYIWSHOVLDQFP-AVRDEDQJSA-N 449.555 4.158 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccc(C)cc3Br)CC2)cc1 110354737 IBWRJNMEFOIYGW-MRXNPFEDSA-N 447.373 4.319 10 20 IICD O=c1c(Cl)c(NCc2ccc(N3CC=CC3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 301371490 TVGQFDKECPYQAK-UHFFFAOYSA-N 447.848 4.288 10 20 IICD O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(N2CCOCC2)c(F)c1 302976295 PAOJKQJZKCOURR-UHFFFAOYSA-N 443.906 4.220 10 20 IICD CC1CCN(c2ccc(NC(=O)CCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1 303323545 RVRUEYSWYGRYJE-UHFFFAOYSA-N 436.600 4.366 10 20 IICD CCN1C/C(=C\c2ccc(N3CCOCC3)c(F)c2)c2nc3ccccc3c(C(=O)O)c2C1 727263882 IKIPORUEQHUOFT-QGOAFFKASA-N 447.510 4.285 10 20 IICD COc1ccc2cc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)ccc2n1 727616261 ULBUVXWQKOADJT-UHFFFAOYSA-N 446.551 4.267 10 20 IICD COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C 728751437 RQWCVHPEWHZXJO-UHFFFAOYSA-N 433.499 4.415 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 728979859 OZHZAWBBVOGHTH-LLVKDONJSA-N 427.379 4.007 10 20 IICD O=C(Nc1nnc(Cc2ccccc2F)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731115578 GNNUORLJVQIDSI-KRWDZBQOSA-N 442.516 4.187 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCc1ccc(N(CC)CC)c(F)c1 731485506 SKOVEDGFHHYXMF-UHFFFAOYSA-N 449.592 4.023 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4C(=O)CCC4=O)c(C)c3)c2C)cc1 732966586 YXYAXPNPJQLFRL-UHFFFAOYSA-N 431.492 4.317 10 20 IICD CC(C)c1ccc(CCCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 735112782 KDJOVSWPTUYFHI-UHFFFAOYSA-N 427.564 4.342 10 20 IICD COc1cccc(Nc2ccccc2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 736549698 JTXCTEHUTXGSIK-UHFFFAOYSA-N 435.499 4.345 10 20 IICD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1F 739600005 ZXLYREWNMNVIHI-UHFFFAOYSA-N 447.576 4.345 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc(OC)c1OC 743281954 HXJWHRFHFDKZGR-UZUMKDMXSA-N 443.546 4.437 10 20 IICD CC(=O)c1cccc(OCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 746774865 PKEKQHHRHCPACZ-HDICACEKSA-N 442.531 4.117 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NC[C@@H]1Cc2ccccc2O1 748033750 PGALHBJGMJHBKN-KRWDZBQOSA-N 447.482 4.324 10 20 IICD CSCc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 751068044 HBPNKINEEBCBGB-UHFFFAOYSA-N 434.564 4.370 10 20 IICD C[C@H]1CN(Cc2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)C[C@H](C)O1 751301805 HBNSVGAZQJZNLU-OALUTQOASA-N 441.535 4.258 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(C)n1-c1cccc(Cl)c1 753015158 CSIMCLRVGWQRKE-JOCHJYFZSA-N 436.943 4.064 10 20 IICD C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 753294591 IFDCYULGGZKZDL-SFHVURJKSA-N 428.598 4.279 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3sc(C)nc3-c3cccs3)CC2)cc1F 753741174 DAULVPWQNUSADN-UHFFFAOYSA-N 431.558 4.219 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1 753964922 CXRPRAKAIDHGTC-UHFFFAOYSA-N 436.581 4.283 10 20 IICD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3nc(C4CCCCC4)no3)c2)c1 758278307 DZCVRBFKABYEAX-UHFFFAOYSA-N 444.469 4.199 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 760305386 QMMRJRBNJOWIIO-UHFFFAOYSA-N 449.000 4.119 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(NC(C)=O)cc(C(F)(F)F)c3)CC2)cc1 760494577 LCTJSUFNPIPQSP-UHFFFAOYSA-N 435.446 4.071 10 20 IICD Cc1coc(-c2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2C)n1 764252844 GKQLWXSIHIFUJV-UHFFFAOYSA-N 432.524 4.154 10 20 IICD O=C(NCCCSc1nccs1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 767096690 MBYYIXIPLPENCN-UXHICEINSA-N 430.643 4.321 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 767785523 KXGSSXCQTLQFFK-OAQYLSRUSA-N 442.309 4.339 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768913970 BRZMEVBETVHUBF-HXUWFJFHSA-N 439.943 4.332 10 20 IICD O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 769428585 UIONGIAHVYPCDE-UHFFFAOYSA-N 449.929 4.306 10 20 IICD COc1ccccc1-c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 771064143 IWCXNVQWBLKGLA-QGZVFWFLSA-N 441.915 4.104 10 20 IICD C[C@@H](NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 772959701 NLVQBUARQXPFGC-HOYKHHGWSA-N 447.982 4.040 10 20 IICD CC(=O)c1cc(F)cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1O 773916435 SCRSDWVVEAPKOS-UHFFFAOYSA-N 427.394 4.428 10 20 IICD COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(F)(F)F)cc1 775992482 SOMUTHJAPCYRPB-YWZLYKJASA-N 437.462 4.196 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 778779976 WKMFCTDAOXOATK-NRFANRHFSA-N 435.490 4.228 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O 779010518 DBLUPUKRTGPZEM-ZIAGYGMSSA-N 441.391 4.125 10 20 IICD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCc2ccc(N(CC)CC)c(F)c2)n1 790317002 DJYSJDMPTCEMCX-IBGZPJMESA-N 448.564 4.352 10 20 IICD CC(C)Oc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl 793543941 WZIJPRXHJGFCSG-KRWDZBQOSA-N 437.005 4.213 10 20 IICD Cc1nn(CCS(C)(=O)=O)c(C)c1CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 797974734 BVFFWHSXLNAMMP-IBGZPJMESA-N 441.597 4.014 10 20 IICD COc1coc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1=O 798678087 QOAHAOLRAFLUQH-UHFFFAOYSA-N 449.381 4.114 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3cccc(Br)c3)cc2)CC1 799923737 VOXPLPSDOJAUBL-NRFANRHFSA-N 446.389 4.218 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2Cl)C1 800049379 JLWNFGWBDBWXLT-AWEZNQCLSA-N 445.903 4.186 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Cc3nnc(-c4ccccc4)n3C)cc2Cl)C1 800050271 RJHNEUMTBGODKT-KRWDZBQOSA-N 437.975 4.231 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)ccc21 801035768 WFXIFSRVPXNYJC-RUZDIDTESA-N 443.588 4.281 10 20 IICD COc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccco3)Cc3ccccc3O)C2)cc1C 802360149 YGLXTRCXXONBNU-OAQYLSRUSA-N 449.507 4.207 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(SC)sc2c1 802610164 SFPRTCBXSYZICM-UHFFFAOYSA-N 429.567 4.491 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)cc1)C1CCCCC1 803677592 RQDKCILDCDJTHZ-UHFFFAOYSA-N 449.551 4.487 10 20 IICD Cc1ccccc1C(NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1C 806275922 ZNHUBOXVKYPUHE-UHFFFAOYSA-N 439.606 4.264 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1 806852491 ADLPBNHIMDYCHN-OAHLLOKOSA-N 437.462 4.117 10 20 IICD CC[C@@H](c1ccccc1)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCOC 812128628 CGRBDQKUWQYBIB-DEOSSOPVSA-N 449.599 4.192 10 20 IICD Cc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812379916 ZRSPEPWRNDQHGA-FPOVZHCZSA-N 435.572 4.004 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4ccccc4Br)C3)CC2)cc1 812832339 WMMVNHFSNCKMTL-GOSISDBHSA-N 430.390 4.295 10 20 IICD Cc1cc(NC(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)n(C)n1 814774211 ZVJXUTLROHPPOE-NVNXTCNLSA-N 428.564 4.285 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C[C@@H](c3ccccc3)c3ncc[nH]3)cc2F)C[C@@H](C)O1 816890922 CEXUQIGCVSVUHX-UEXGIBASSA-N 436.531 4.001 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc(C(=O)N3CCOCC3)cc2)cc1 822349657 DFXYYOTXUSFHBW-UHFFFAOYSA-N 443.591 4.475 10 20 IICD CC(C)CCN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914509786 CCJHRUUAZWEDRY-XNTDXEJSSA-N 441.416 4.155 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc(N(C)C)cc3)C1=O)O[C@@H](C)C2 916548884 CWMFLRVSKRKUNN-DZUMZMOTSA-N 426.563 4.490 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1 916697379 KWVAWVGPULADRW-KDURUIRLSA-N 440.613 4.175 10 20 IICD CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 917516135 KJLHODSLBVGAQE-QGOAFFKASA-N 435.530 4.455 10 20 IICD O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 917709544 QMAWVMLSKIBUOJ-UHFFFAOYSA-N 434.511 4.085 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OCC 918311500 SZOFHPOJRWRAKY-UHFFFAOYSA-N 439.556 4.071 10 20 IICD COCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 918547337 VOJVCMXCMDETFT-SFHVURJKSA-N 434.920 4.284 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920872576 USKSEUTUTBZWBB-MOPGFXCFSA-N 438.572 4.068 10 20 IICD Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929075134 MTXDCPOWEXZNJJ-UHFFFAOYSA-N 438.531 4.220 10 20 IICD C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc(N3CCN(C)CC3)c(F)c2)SC1=S 1115863444 CBHJLDFEUFOEDJ-WNBVETJTSA-N 433.618 4.357 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)n2)o1 1318190319 XRTNEGFJRJDTJB-UHFFFAOYSA-N 447.582 4.446 10 20 IICD C[C@@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)O1 1789158672 FMXWRUDWDLKXMG-BFUOFWGJSA-N 444.915 4.066 10 20 IICD CCc1oncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513506 MGJFYPUYUQGYTE-QQFNCUIESA-N 446.551 4.210 10 20 IICD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cc1 1844940281 AMFJIBHXFMKHJY-UHFFFAOYSA-N 443.547 4.234 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C[S@@](C)=O)c3)c2C)cc1F 10780616 YFKJUHZCCCOIKK-HKBQPEDESA-N 441.524 4.460 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)cc1 14253362 YHDBWHKCWRIWDI-UHFFFAOYSA-N 430.551 4.213 10 20 IICD COc1ccc(N2CCCN(CC(=O)N(Cc3ccccc3)Cc3ccco3)CC2)cc1 108097090 YQSXNHFUNCBIDB-UHFFFAOYSA-N 433.552 4.029 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 302764381 NXWWVPUROFCHNR-UHFFFAOYSA-N 444.535 4.439 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3c(C)nn(C)c3Oc3cccnc3)ccc21 490256701 OOPRVHBIYFHILI-UHFFFAOYSA-N 433.512 4.386 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 517002470 RGRXFPJVEHDREG-UHFFFAOYSA-N 436.581 4.340 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)CC2)cc1 726563824 SPYPJCLWWWXGIV-UHFFFAOYSA-N 432.495 4.464 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 727246290 RTRBTTXCKVHODX-UHFFFAOYSA-N 447.494 4.004 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3csc(-c4cnccn4)n3)c2C)cc1 728378359 DSHYLHLZXSLBEI-UHFFFAOYSA-N 432.505 4.356 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 729170860 BDYKXDIMDRQZJX-UHFFFAOYSA-N 427.442 4.479 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(Cn3cccn3)o2)cc1 732114844 NYOPRHWWGCNUNG-UHFFFAOYSA-N 430.508 4.446 10 20 IICD O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)N(Cc1ccco1)Cc1ccccc1O 732469685 KTAKZHXHBASVKG-LJQANCHMSA-N 439.899 4.156 10 20 IICD Cc1nc(-c2cnn(C)c2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 734317718 RPJPROYPUWLISJ-UHFFFAOYSA-N 435.553 4.354 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc21 734412867 NQQGDXTZMFMFHS-HXUWFJFHSA-N 431.577 4.184 10 20 IICD CCOCc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC 735332188 XIZSAAVGUIKREK-OCKHKDLRSA-N 429.519 4.366 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCSC[C@@H]2c2ccc(C)cc2)c1 738245160 LDFVIKCLOMHYMY-XMMPIXPASA-N 440.609 4.026 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 741061669 CUSOJQNXXWMYTQ-UHFFFAOYSA-N 444.510 4.454 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 741543338 BEWSYVWIWYBCIR-INIZCTEOSA-N 429.948 4.262 10 20 IICD CC(=O)Nc1ccc(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743015488 HRZJZVSWDLHQOA-QGZVFWFLSA-N 434.512 4.202 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@H]1CCc2ccccc2C1 743283778 DYMYDZBNHPMDGU-NAGKPISUSA-N 436.537 4.165 10 20 IICD COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H](C)c1ccccc1 746215661 KMSJJBZGYQZCGG-ZCNNSNEGSA-N 443.563 4.359 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 746365912 RZYZHURBEYKDNZ-UHFFFAOYSA-N 438.753 4.204 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C2CC2)cc1 747544103 BMZAWZAZTFZURJ-HXUWFJFHSA-N 426.630 4.400 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc21 747845728 HTBNYAHBBICHIT-UHFFFAOYSA-N 449.504 4.188 10 20 IICD CCOc1cccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 748041826 DVKXNAZIHUJBFG-AWEZNQCLSA-N 446.550 4.144 10 20 IICD O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NCc1ccccc1O 748345876 QOSBVDKTSPTIBJ-UHFFFAOYSA-N 439.309 4.266 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(F)c1I 750262852 PUKRETFDBHOEFL-UHFFFAOYSA-N 438.284 4.351 10 20 IICD CCc1cc2c(COC(=O)c3csc(Cc4ccc(N)cc4)n3)cc(=O)oc2cc1O 751936891 NGLGHPWHJNWRBE-UHFFFAOYSA-N 436.489 4.048 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1 755787600 VLXRZWDAXNALTK-LLVKDONJSA-N 432.270 4.069 10 20 IICD CCOc1ccc(Cl)cc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 756055617 WVZFOQBVTFJCJK-KRWDZBQOSA-N 431.964 4.178 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)CC2)cc1 758065550 BICYJTHQTXCEFW-UHFFFAOYSA-N 448.571 4.318 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4cccs4)CCCCC3)CC2)cc(OC)c1OC 759222473 RXEITQAHTLNZPL-UHFFFAOYSA-N 444.597 4.325 10 20 IICD C[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(N2CCOCC2)cc1Cl 760019460 RZCSRHBPEDRMSV-REWPJTCUSA-N 444.019 4.118 10 20 IICD Cc1c(Cl)cc(F)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1F 761874610 PJULJGCKGMZNKQ-UHFFFAOYSA-N 434.826 4.393 10 20 IICD COCc1nc(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n[nH]1 761876187 LKLQSEIWPRSFHB-UHFFFAOYSA-N 435.347 4.096 10 20 IICD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C 761996521 WXBPVRYJUROXLQ-UHFFFAOYSA-N 429.922 4.049 10 20 IICD COc1cc(Br)ccc1CCC(=O)NCc1cccc(Br)c1O 765750413 GCTZLLDAUYIJAW-UHFFFAOYSA-N 443.135 4.175 10 20 IICD CC(C)[C@@H](CCc1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765981607 XOTVTYVIRNGPEC-HSZRJFAPSA-N 435.033 4.322 10 20 IICD CCOC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(Br)cc1F 775380658 XHKAJAWPCQUFNM-ADLMAVQZSA-N 426.282 4.257 10 20 IICD C[C@@H](N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl 775567708 KIFIIMKYNRYJAO-MWTRTKDXSA-N 428.939 4.489 10 20 IICD COc1ccc(-c2nnc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)s2)cc1 775837196 KYXPGOFAEXSGBE-GOSISDBHSA-N 440.525 4.132 10 20 IICD Cc1ccc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1NS(C)(=O)=O 777822696 JWYQDFWGCLPZBK-GOSISDBHSA-N 438.549 4.476 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 777826092 GUTXLOKFRKYROL-SFHVURJKSA-N 440.503 4.080 10 20 IICD FC(F)(F)c1ccc(Cn2cc(CNCc3ccc(N4CCOCC4)cc3)cn2)cc1 778159757 PGFPOQPHGUVVTG-UHFFFAOYSA-N 430.474 4.077 10 20 IICD COCCN1C(=O)CCc2cc(N[C@@H](C)c3cc(Br)cc(F)c3O)ccc21 779080551 ZZPVIUPLQJDYTJ-LBPRGKRZSA-N 437.309 4.393 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1Oc1ccccc1 783315443 DVWRHCICNPXGRU-UHFFFAOYSA-N 432.524 4.316 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n1 783946078 MLTTZNIKTJYGPL-UHFFFAOYSA-N 426.466 4.263 10 20 IICD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061903 GRONROFAIILKOF-UHFFFAOYSA-N 437.540 4.483 10 20 IICD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1 784439280 ASJJTKOOSLQPNT-UHFFFAOYSA-N 449.802 4.063 10 20 IICD CC(C)(C)c1ccc(CCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 786771438 FBAQWMHEUJILHL-UHFFFAOYSA-N 434.536 4.170 10 20 IICD CCN(CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 787883910 PFXCGCITQWDLNI-UHFFFAOYSA-N 436.600 4.020 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 791248004 KUHNNWRIKKIEJV-UHFFFAOYSA-N 434.540 4.387 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)n1ccc2ccccc2c1=O 791384166 GEBUYNDDLYNKNC-CQSZACIVSA-N 429.314 4.079 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2cccc(Br)c12 795492087 AHYSLLJFYZNGIJ-UHFFFAOYSA-N 425.326 4.369 10 20 IICD COc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c1OC 806440564 YWVCUWPJQDCXTD-QGZVFWFLSA-N 429.586 4.126 10 20 IICD COC(=O)c1c(C)csc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 807003176 XALSJQDMHSKGOW-OAHLLOKOSA-N 437.521 4.158 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCN(c2ccccc2F)C1 810449522 HEGHAWCZQPROEO-SJORKVTESA-N 433.474 4.039 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c(C)n1-c1ccccn1 914614193 UPCHHAHPFYXAFF-CYBMUJFWSA-N 433.295 4.375 10 20 IICD Cc1cc(CC(=O)Nc2ccc(OCCC(N)=O)cc2)c(C)n1-c1ccc(Cl)cc1 917164027 GEOMTLUWDDHPBO-UHFFFAOYSA-N 425.916 4.183 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)c(C)c1 917853043 IDBMNCQHIVZMNG-UHFFFAOYSA-N 431.514 4.252 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)cc1 918202395 ZPUYNGAVVHTUKB-WOGXIUBCSA-N 441.547 4.398 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3C[C@H](C)c4c(C)ccc(O)c43)CC2)cc1 1116565272 NEYHRZPNTJYNMM-UWJYYQICSA-N 428.598 4.301 10 20 IICD Brc1ccc(CNCc2ccc(N3CCCC3)cc2)c(N2CCOCC2)c1 1333845393 ASRLCKVJYWXFPO-UHFFFAOYSA-N 430.390 4.176 10 20 IICD CC(C)OCc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)oc2ccccc12 19037651 SFOJOOVFHFFGRO-UHFFFAOYSA-N 438.524 4.239 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c2C)cc1 26060209 VHRRREGVHVYAEN-UHFFFAOYSA-N 431.536 4.137 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2O)SC1=S 203060396 VNGWCUSEHLCOQF-WQRHYEAKSA-N 429.519 4.037 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1 303522626 PTZMWDHUEIYRHZ-NRFANRHFSA-N 442.991 4.223 10 20 IICD COc1ccc(N(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OC 620250039 HBFLDKBONLQOSV-UHFFFAOYSA-N 428.492 4.287 10 20 IICD CCOc1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)c(O)c1 725847894 VXRJJRLKOQWAPO-UHFFFAOYSA-N 431.580 4.403 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 726175805 KBJIGKAIVPIMRM-GOSISDBHSA-N 426.517 4.331 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1 726563148 XGOZAOCWERSXNA-UHFFFAOYSA-N 428.330 4.338 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(C)n1Cc1ccco1 726627655 QBFMJMVZUUSVQE-ODLFYWEKSA-N 437.546 4.251 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 727384020 LRVROSDGFUGISP-PXNSSMCTSA-N 426.561 4.397 10 20 IICD CCN1CCN(c2ccc(CNC(=O)COc3ccccc3-c3ccccc3)cc2F)CC1 730192479 BIYSJCSIVZVMNC-UHFFFAOYSA-N 447.554 4.330 10 20 IICD COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 730482642 UKVMFCYPINOKKQ-GBESFXJTSA-N 428.548 4.333 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 731281023 NIDLQKFVBXPFBZ-HDICACEKSA-N 429.536 4.267 10 20 IICD COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Br 732881651 HNPIFRMZONLBNW-INIZCTEOSA-N 435.318 4.376 10 20 IICD Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c(C)n1-c1cccc(Cl)c1 733169386 ZCDWUOUXPYHMSL-UHFFFAOYSA-N 425.964 4.428 10 20 IICD CCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1OCCC 739764741 DXDUOBQBWZZAQC-UHFFFAOYSA-N 439.556 4.218 10 20 IICD O=C(Nc1ccccc1)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 742423476 MTKQCIIWHGZRKM-KRWDZBQOSA-N 439.466 4.411 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 743336505 KPDRTWHALMFSEE-XFQAVAEZSA-N 428.529 4.480 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c2)no1 743413795 KTZNUFWWQPYNQT-UHFFFAOYSA-N 447.539 4.069 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)C1CCCCC1 743421504 JKGBTTWMOJSRKX-UHFFFAOYSA-N 444.373 4.473 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 743717899 VUWZRODGKDTFDG-UHFFFAOYSA-N 433.474 4.218 10 20 IICD COC(=O)c1cccc(-c2nc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cs2)c1 744402735 RYHCKPQPLLDOHF-NRFANRHFSA-N 438.549 4.484 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)cc1F 746797564 MVOXRBGZKPPKQT-UHFFFAOYSA-N 432.546 4.112 10 20 IICD O=C(CN1C(=O)c2ccccc2CS1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1 748510387 ZNHXTHNSMRDSAN-UHFFFAOYSA-N 434.477 4.026 10 20 IICD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 748674219 QGJZNCZNRZAWAW-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCCCSc1nccs1)C1CCCCC1 749730385 NZDLAIKVWHOXOP-UHFFFAOYSA-N 446.642 4.145 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCSC(C)(C)C2)c1 751439771 QZRWEZZYKXLRAR-UHFFFAOYSA-N 430.595 4.394 10 20 IICD COC(=O)c1cc(OC)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 752714133 HOMYISUTOSVHGG-UHFFFAOYSA-N 437.496 4.375 10 20 IICD CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(-n4c(C)ccc4C)cc3)ccc21 753829140 WZFABICRFYHCNT-GOSISDBHSA-N 430.504 4.431 10 20 IICD CC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)ccc1Br 758387598 FRSDUPNHMFSCKL-UHFFFAOYSA-N 427.301 4.169 10 20 IICD CCN(C)c1ccc([C@H](C)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 765473614 ZAHKCVMWPDAHFY-IBGZPJMESA-N 429.630 4.256 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 765643063 DVVIMRVWJNYFEM-NTKDMRAZSA-N 445.554 4.136 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)c(C(F)(F)F)c1 768562863 VGCYYSSPPCVQAO-UHFFFAOYSA-N 443.263 4.235 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 769001300 NEXOSODPXQMMMN-UHFFFAOYSA-N 430.434 4.208 10 20 IICD Cc1cc(C(=O)N2CCOC3(CCOCC3)CC2)c(C)n1-c1cccc(Br)c1 769642961 IAHXTUPDGJLCPD-UHFFFAOYSA-N 447.373 4.268 10 20 IICD Cc1cc(Br)c(F)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 771234238 TUBKTQHJDFZGRU-UHFFFAOYSA-N 436.325 4.397 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccc2nccnc2c1 771372203 XPEWGEWRFFQTQF-UHFFFAOYSA-N 437.547 4.247 10 20 IICD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 779510965 DIRFXNAUSLGGGA-KZIVNFMESA-N 445.357 4.169 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1ccc(N2CCN(C)CC2)cc1 780590309 LUCKVRCVKZLTME-UHFFFAOYSA-N 438.616 4.064 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 783316834 OAMRAIYKOYURMN-UHFFFAOYSA-N 446.551 4.102 10 20 IICD CCCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 788328965 UQTNWBXBERUPDE-UHFFFAOYSA-N 437.584 4.196 10 20 IICD C[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2)c1ccc(N(C)C)cc1 789744176 OFEGYKLVOVAIID-GOEBONIOSA-N 428.602 4.176 10 20 IICD COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC(F)F)c1 789815932 JYZSMPVJKJMYMD-OAHLLOKOSA-N 440.874 4.050 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(-c2ccco2)cc1F 790531414 GNGXVWFBJZFRQG-UHFFFAOYSA-N 437.515 4.294 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC[C@](C)(O)CC2)sc(C)c1-c1ccccc1 791629044 RCOMXLMWDQXLEF-DEOSSOPVSA-N 444.597 4.466 10 20 IICD COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc(Cl)c1F 792501420 ZYNPWDLXCKNHFP-UHFFFAOYSA-N 435.883 4.065 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C4(S(C)(=O)=O)CCC4)n3)c2C)cc1 796529936 CWKWUKCNVVVIMS-UHFFFAOYSA-N 443.594 4.432 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 799452630 PUMVBAVRZCSMMI-QILLFSRXSA-N 444.576 4.469 10 20 IICD COC[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 802764364 VHVXCZKGIHPFQV-FCHUYYIVSA-N 449.599 4.252 10 20 IICD Cc1cccc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ccccn2)c1 807671036 NGJJRFXUPHSZDH-RUZDIDTESA-N 444.579 4.099 10 20 IICD C[C@H](CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 807678772 JOXUYINKIVKRSR-HZPDHXFCSA-N 435.490 4.259 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 808266680 RDJKLHLIBXSLJT-JKSUJKDBSA-N 436.474 4.458 10 20 IICD CCOCCCn1c(-c2ccccc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812195153 GORXLSPYRIYIOP-UHFFFAOYSA-N 435.572 4.097 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 23241124 GYNPPUVQYGMLHP-UHFFFAOYSA-N 433.600 4.475 10 20 IICD COc1ccc(N2CCN(Cc3csc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 58126718 MNMKVTPPAFMEDP-UHFFFAOYSA-N 425.554 4.158 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N2CCc3ccccc3C2)cc1 109426151 GJVNNTVCCCUQEP-UHFFFAOYSA-N 441.575 4.358 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 109567864 SKZJVWLCQGGFHT-WOJBJXKFSA-N 431.399 4.422 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)CCc2ccccc2)CC1 116034059 DWXSTMWLVZZQLY-UHFFFAOYSA-N 433.596 4.165 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnc2ccc(Br)cn12 210214472 XHKOGVCDPZHHBQ-GHXNOFRVSA-N 427.327 4.429 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(C[S@](=O)c4ccccc4)c3)CC2)cc1 303702993 ONSZGJAOBOAKQC-YTTGMZPUSA-N 449.576 4.357 10 20 IICD CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 727245814 OHSAMONYUFPKNB-UHFFFAOYSA-N 431.539 4.276 10 20 IICD COC(=O)Nc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1F 727593740 CLJABDFCUSLZBK-ZIAGYGMSSA-N 448.470 4.078 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1C 728201808 QBEMSVONEAWMBW-UHFFFAOYSA-N 435.549 4.180 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc21 729040534 UJKFGCFKNNBAQU-NRFANRHFSA-N 447.583 4.321 10 20 IICD Cc1oc2c(CN3CCC(N4CCCC4=O)CC3)c(O)ccc2c(=O)c1-c1ccccc1 729468988 VHDULONAJHNZGZ-UHFFFAOYSA-N 432.520 4.061 10 20 IICD Cc1cnc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)o1 731405842 IOPJRGLYJFSMBB-UHFFFAOYSA-N 432.524 4.237 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)c(F)cc3F)n2)cc1 732525782 POULNNMCQUWCTM-UHFFFAOYSA-N 438.477 4.238 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O 735328883 GKXJWXSTDOTLJV-IUXPMGMMSA-N 430.463 4.128 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 735368246 KVFKKGXJPGWUSS-UHFFFAOYSA-N 446.475 4.308 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(-c4ccoc4)no3)c2C)cc1 740284768 NQNSRJIEQFYDJE-UHFFFAOYSA-N 433.464 4.404 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 742111782 AKHUZSZGNRWNPV-AZUAARDMSA-N 426.561 4.302 10 20 IICD O=C(CCCn1cnc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801930 URFUXIOKAQVQFQ-KRWDZBQOSA-N 428.483 4.203 10 20 IICD O=C(Nc1cccc(Cn2cccn2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743090438 RHSFETWUSDYSBO-IBGZPJMESA-N 441.482 4.323 10 20 IICD CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 745182510 FZTOEDFYSBVKEP-FGTMMUONSA-N 429.536 4.398 10 20 IICD CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745904108 LWJHHGFACCQYGB-INIZCTEOSA-N 434.443 4.007 10 20 IICD C/C(=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 748185848 MGDSBUUSWJHBHO-AGWAZZAUSA-N 445.485 4.127 10 20 IICD COC(=O)c1c(C)nc(O)nc1SCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 750085575 OTDSKYXTWAKWGV-UHFFFAOYSA-N 437.481 4.423 10 20 IICD C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1F 752497643 INLVFLCEYGUQBZ-LLVKDONJSA-N 436.370 4.139 10 20 IICD Cc1nc(-c2ccccc2)sc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 752919764 QBOMPHOIKUBMMO-UHFFFAOYSA-N 426.517 4.416 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 766599477 JKEKDOBTRPZKFQ-SFHVURJKSA-N 434.418 4.202 10 20 IICD O=C(Nc1ccccc1)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 768450156 IKJFMFTUKILUFY-HSZRJFAPSA-N 431.492 4.020 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 768921970 BWBGHTICTJXPPW-UHFFFAOYSA-N 445.485 4.330 10 20 IICD CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)cc3)SC2=S)cc1 771513935 OJTKRXBXRZLOCT-QNGOZBTKSA-N 437.590 4.047 10 20 IICD CN1CCN(c2ccc(CNC[C@@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc2)CC1 771867429 ZJWBUXVUQNNGFH-RDPSFJRHSA-N 430.999 4.014 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)c1ccc(N(C)C)cc1 773850300 ZCQWJRYINIEKEC-CQSZACIVSA-N 440.341 4.484 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 775375110 IVTKQTKWFNTKCR-VXGBXAGGSA-N 433.480 4.480 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@@H]1CCO[C@]2(CCSC2)C1 776250617 JKQNDIQVJOSNDC-IUODEOHRSA-N 437.197 4.062 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(N2CCNC2=O)ccc1F 777822816 MOIOMQKHFKGZFW-KRWDZBQOSA-N 433.483 4.465 10 20 IICD Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)[C@@H](C)C2 779028694 YEZNZZDUZWCNAZ-DFBJGRDBSA-N 431.559 4.274 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 781466093 KCBIRSSDFMFIEW-UHFFFAOYSA-N 445.567 4.205 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N(c3ccccc3)c3ccccc3)cc2)C1 782422417 UUWJMYWFOGZXNZ-NRFANRHFSA-N 428.536 4.436 10 20 IICD C[C@H]1COc2ccccc2CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 782719655 UTLYBZHRTSXBBI-INIZCTEOSA-N 431.483 4.250 10 20 IICD Cc1nnc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc2)o1 783482821 LASBCQQCVUTNDJ-MRXNPFEDSA-N 441.491 4.360 10 20 IICD COCCOc1cc(C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783485747 KSDVZOOXAKRWDL-IBGZPJMESA-N 447.535 4.335 10 20 IICD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058406 SZCVBPMTMRIEAY-UHFFFAOYSA-N 448.567 4.118 10 20 IICD CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 784475777 LHAPICNQNQOALS-XMMPIXPASA-N 427.614 4.113 10 20 IICD C[C@@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1 787064700 LSZOQHUYVRXWFR-CHWSQXEVSA-N 428.480 4.120 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3nc(C(F)(F)F)cs3)CC2)cc1 787421624 UVNYAMPWLRYTLU-CYBMUJFWSA-N 428.480 4.153 10 20 IICD C[C@H](O)CSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 788097311 IMYMEHVPRJPHAT-BXUJETTOSA-N 447.507 4.212 10 20 IICD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 792105007 XIDDSJBERFAJRF-RUZDIDTESA-N 444.531 4.356 10 20 IICD Cc1ccc([C@H](NCc2cc(Br)cc(C)c2O)[C@@H](C)S(C)(=O)=O)cc1 798087988 CDMCEZAEVNPVRP-RDTXWAMCSA-N 426.376 4.036 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCC3(N4CCCC4)CCOCC3)cc2Cl)C1 799932736 UNWMFDQILVHZNO-IBGZPJMESA-N 449.039 4.021 10 20 IICD COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 800886681 GWTFOAMXRXVENU-UHFFFAOYSA-N 447.447 4.414 10 20 IICD CC[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O 805398272 ZXMZFDYPTFEGJV-APWZRJJASA-N 428.558 4.206 10 20 IICD CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807689221 YRNDRZZNGIKZEV-LJQANCHMSA-N 434.536 4.385 10 20 IICD Cc1cccc(Br)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 811881103 STHGKMWAOFZTQK-GJZGRUSLSA-N 435.337 4.440 10 20 IICD Cc1cc(-c2nnc(N3CCC[C@H]3c3nncn3C)n2CC(C)C)c(C)n1-c1ccccc1 812217460 OVXJLDKCAXWBDR-QFIPXVFZSA-N 444.587 4.479 10 20 IICD O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NCc1cccnc1 814771277 NMEAIBXHZHLRSN-CAOOACKPSA-N 425.560 4.316 10 20 IICD CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 822234548 ZDFWVNGRJQICJB-FQEVSTJZSA-N 444.443 4.260 10 20 IICD Cc1cc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 914500130 JFOFDRZSOHAKIL-UHFFFAOYSA-N 439.943 4.396 10 20 IICD CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1Cl 915903871 AQKMDDKVSBCDEB-NQIIRXRSSA-N 431.964 4.039 10 20 IICD O=C(NCc1ccc(OCC(F)(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 916249564 ZAZFRESYNSINLU-LJQANCHMSA-N 438.446 4.224 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 916625046 CQPXMRPMAIVQHF-NRFANRHFSA-N 441.597 4.304 10 20 IICD COc1ccc(N2CCCN(C(=O)CSCc3coc(-c4ccccc4)n3)CC2)cc1 917822103 BKYFHIUCDVPOKU-UHFFFAOYSA-N 437.565 4.322 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 919822160 AUWSDTJLZDOMJJ-UHFFFAOYSA-N 447.988 4.367 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Oc1cccnc1 920043615 MXIKJTIYBXRDFP-UHFFFAOYSA-N 436.487 4.480 10 20 IICD COc1ccc(N2CCN(Cc3csc(-c4ccc(OC)cc4OC)n3)CC2)cc1 921206788 WDAADZAGEDTDKI-UHFFFAOYSA-N 425.554 4.158 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ncccc2F)cc1 1798991995 BQTXCIFAUFSLNM-QQFNCUIESA-N 446.526 4.194 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)c2C)cc1C 9720146 JKPUDGHENFHECU-UHFFFAOYSA-N 439.533 4.154 10 20 IICD Cc1ccc(-n2cnn(CN(C)Cc3ccc(N4CCOCC4)cc3)c2=S)cc1Cl 16878820 CBHGZAZGFSVDGF-UHFFFAOYSA-N 444.004 4.291 10 20 IICD Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1 26763758 KCOMPKCHUGZWEN-JCMHNJIXSA-N 444.560 4.209 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 248088873 XIDSWZNDNVAOJD-UNMCSNQZSA-N 449.595 4.048 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C(F)(F)F)c1 726710953 AHVIBDKFHCOCNA-SFHVURJKSA-N 438.446 4.310 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1 729279794 CLOKFCVSYJVKNS-KRWDZBQOSA-N 431.492 4.427 10 20 IICD Cc1cc(C(=O)CN2CCC(N3CCCC3=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 729481770 FSRSVBVVRYONQF-UHFFFAOYSA-N 447.501 4.382 10 20 IICD CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 730317851 BJQXKYASBPOTID-IBGZPJMESA-N 440.525 4.285 10 20 IICD CN(c1ccc(CNC(=O)NCCCN(C(=O)C2CCC2)C2CC2)cc1)C1CCCCC1 731361529 MMZLIEDLLLAHCS-UHFFFAOYSA-N 440.632 4.436 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCN3CC3CCCCC3)CC2)cc1 731502611 NGJAMZPNUNXDAN-QHCPKHFHSA-N 428.621 4.008 10 20 IICD Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CCC2 732009608 ZYPXCKOQRIGRLZ-UHFFFAOYSA-N 426.428 4.272 10 20 IICD COc1cc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)ccn1 733867789 YMNSGOIJSOVCKM-KAMYIIQDSA-N 444.563 4.036 10 20 IICD CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 733934213 GRBDWEFLTDCCMI-LBPRGKRZSA-N 448.397 4.419 10 20 IICD CCOC(=O)N1[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1c1ccc(C)o1 736547742 FIKSOZSNIKHZOZ-NHCUHLMSSA-N 425.529 4.167 10 20 IICD COc1cccc(-c2noc([C@@H](C)NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)c1 742390795 OVDAXDYGEUCBFN-MRXNPFEDSA-N 437.500 4.495 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 742475402 LMRJXKMUDIMJAG-UHFFFAOYSA-N 435.568 4.342 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742800829 ULDHLWDVLWCSDV-SFHVURJKSA-N 431.483 4.281 10 20 IICD COc1cc(-c2nnc(CN(Cc3ccc(N(C)C)cc3)C(C)C)o2)cc(OC)c1OC 743841150 GWFJPITZUFRXNS-UHFFFAOYSA-N 440.544 4.239 10 20 IICD Cc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 744398196 MCAYYIRCKOTCPQ-AWEZNQCLSA-N 433.533 4.167 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 745291369 JZPSOLFABYRAFT-UHFFFAOYSA-N 426.948 4.042 10 20 IICD C[C@@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 747830733 GPCRTEKRHHHUGX-QGZVFWFLSA-N 425.529 4.361 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]nc1-c1ccccc1F 755197707 IHGXWZNDGQNERR-UHFFFAOYSA-N 448.420 4.001 10 20 IICD CCN1CCN(Cc2ccccc2CN[C@H](C)c2cc(Br)ccc2O)CC1 756432392 HIKTUXVXTDVMIS-QGZVFWFLSA-N 432.406 4.143 10 20 IICD C[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)c(Cl)c1O 756556941 YHWRLKQDZSSNHA-RHSMWYFYSA-N 436.383 4.247 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 757549554 AIORFOWPUYFFMU-UHFFFAOYSA-N 434.514 4.462 10 20 IICD Cc1cc(C(=O)CN2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 759874344 IPSRUMDTQUGBNT-FOGNVHKLSA-N 442.503 4.018 10 20 IICD COc1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O 761216477 YGBALHLNZFBGQA-OAQYLSRUSA-N 441.959 4.489 10 20 IICD COc1ccc(N2CCC(NCc3ccc(N4CCc5ccccc5C4)nc3)CC2)cc1 765067479 KPZOSVZNMYTSJS-UHFFFAOYSA-N 428.580 4.412 10 20 IICD COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 765994838 RZDXMAOMCQRTLS-UZLBHIALSA-N 431.964 4.026 10 20 IICD Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCCc1ccc(O)c(O)c1 767785239 IRLYBOJPRFIEMK-UHFFFAOYSA-N 432.476 4.407 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1)Nc1cccc(F)c1 769204850 ANAGVBMUNCQFQF-ZDUSSCGKSA-N 436.871 4.127 10 20 IICD Cc1nc(CN2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)oc1C 772748128 ZVMIGBCIDBKVTA-UHFFFAOYSA-N 432.528 4.463 10 20 IICD COC(=O)c1sccc1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 776744003 OTSDCLHMDKYAFQ-UHFFFAOYSA-N 446.531 4.318 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1O 779020876 ZUVQPTNXULBBCV-JXFKEZNVSA-N 431.374 4.347 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3c(Cl)ccc4cccnc34)SC2=S)cc1 781099934 IWLLLVXAARFSHW-MHWRWJLKSA-N 425.922 4.393 10 20 IICD O=C(Nc1ccnn1-c1cccc(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895998 JAWNOCPCXPZZOQ-UHFFFAOYSA-N 436.487 4.017 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)c1ccc(N)cc1 783483356 UQYNFMFCLAMRMX-QGZVFWFLSA-N 433.556 4.324 10 20 IICD C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccc(N2CCOCC2)cc1 793206699 AVEFJAGPPVERJL-HNNXBMFYSA-N 442.610 4.286 10 20 IICD O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 797395548 PDQKTNQWVKWLDQ-SFTDATJTSA-N 441.478 4.425 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cc2F)C[C@@H](C)O1 798057360 NDLLQRHMJUMIIS-DXHLJBJQSA-N 429.511 4.324 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 801548367 UBWRTGVDEMBQTG-UHFFFAOYSA-N 440.359 4.001 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@]2(CCOC2)C1 802634259 ZBXZERQZZHESPC-AREMUKBSSA-N 449.599 4.396 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccncc3OCc3ccccc3)CC2)cc1 805762488 BDPDVKOHMFHLBX-UHFFFAOYSA-N 446.551 4.091 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl 806860134 IEDIRVGXOQVHGY-IERDGZPVSA-N 432.948 4.067 10 20 IICD Cc1nn(Cc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)c(C)c1[N+](=O)[O-] 807834166 KPUCAKLSFFHIHN-UHFFFAOYSA-N 449.294 4.399 10 20 IICD Cc1cc(C(=O)Nc2cccc3c2OCC(=O)N3)c(C)n1-c1ccccc1Br 811597496 OWEGZGQZBIAVJU-UHFFFAOYSA-N 440.297 4.440 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1 812889170 NMUVQXZOSGXTMH-RUZDIDTESA-N 435.568 4.117 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)Cc2ccccc2O1 813584449 DFTMAOZAKJRXOL-INIZCTEOSA-N 449.473 4.035 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1OC 914577427 FHHQORTWAYISMD-UHFFFAOYSA-N 434.539 4.254 10 20 IICD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 914846858 XSPIVOMEDKCCKT-UHFFFAOYSA-N 440.569 4.162 10 20 IICD CC1=C(C(=O)N(C)C)[C@H](c2ccc(N3CCCCC3)cc2)NC(=S)N1c1ccccc1 917377722 YJHMCUJHDUZDDV-QHCPKHFHSA-N 434.609 4.475 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3ccc(Cl)c(Cl)c3)cc2)C1 917835572 CMCFHWGBTIEGTJ-GOSISDBHSA-N 448.394 4.334 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 918224965 XRRKEYYLUXFNCO-FQEVSTJZSA-N 436.531 4.233 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(SC(F)(F)F)cc1 919971115 OTHSTAXHDRJIJN-UHFFFAOYSA-N 428.451 4.329 10 20 IICD CC(C)c1ccc(C2(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CCC2)cc1 1318080445 IXZMPCUYUQOKQN-JOCHJYFZSA-N 433.596 4.250 10 20 IICD CN1CCN(c2ccc(CN3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)cc2F)CC1 1319963001 KWUFGHQXZNNKFL-INIZCTEOSA-N 442.526 4.432 10 20 IICD C[C@H](CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)N(C)C(=O)OC(C)(C)C 1321757479 XJQNBIKBNNIWOR-QGZVFWFLSA-N 431.533 4.343 10 20 IICD O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)N[C@H]1CCOc2ccccc21 96982671 OWIYWYGWKUOFGR-FQEVSTJZSA-N 436.533 4.166 10 20 IICD Cc1cc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)ccc1NC(=O)C1=S=CC=C1 545615159 YWDKJDVZAXYOFK-UHFFFAOYSA-N 441.516 4.173 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] 726566212 KMXJMMZYODTCDW-UHFFFAOYSA-N 425.819 4.248 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567376 JBSWSXSYZKDQJA-UHFFFAOYSA-N 429.389 4.409 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)SC2=S)cn1 726986386 PKQQTDMLYJUHTE-RIYZIHGNSA-N 437.340 4.267 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)c2C)c1 728915662 VMADMLQTBZUNKO-IBGZPJMESA-N 449.624 4.416 10 20 IICD CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 729424736 YCEGELTZLTVWSR-LJQANCHMSA-N 426.561 4.351 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1csc2ccccc12 730030957 USZJBMRJZPGZKT-AEFFLSMTSA-N 436.581 4.163 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccccc3SCC(=O)NC(C)C)cc2)CC1 731016055 LVNOLVDHORQIET-UHFFFAOYSA-N 439.625 4.470 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1OC 732201936 BNYDUFIUPUDCNV-SFHVURJKSA-N 438.524 4.190 10 20 IICD COc1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC(F)F 733334337 HDBOZYNPMKLRSD-QGZVFWFLSA-N 426.891 4.410 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 733661280 KDYGHGBJONMKDJ-UHFFFAOYSA-N 432.524 4.236 10 20 IICD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc2o1 741099732 GZSOGYRCJBFORO-UHFFFAOYSA-N 432.524 4.048 10 20 IICD CSc1nc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccn12 742801078 YDLPGOYQUABGFF-AWEZNQCLSA-N 432.496 4.056 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc2c1OCO2 743282412 LXIIMGZZACARBO-XKYMITNMSA-N 427.503 4.149 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(NC(=O)NC(C)C)c1 743808930 HIXPHITZODRCJW-UHFFFAOYSA-N 434.334 4.347 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c2cccnc2c1C 743886837 ACKNDVKZNALDGH-UHFFFAOYSA-N 429.476 4.318 10 20 IICD CN(C)CCOc1ccccc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 745787160 UZPHTMQIWTWZPN-UHFFFAOYSA-N 425.573 4.377 10 20 IICD COCCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903055 BKFSYQPAQNPRMJ-MRXNPFEDSA-N 439.528 4.177 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(-c4cccs4)cs3)cc2)CC1 746798448 RVVJSNOCHPGQOB-UHFFFAOYSA-N 440.594 4.363 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2nnc(-c3ccccc3)o2)cc1 749203714 MVISULMVIWQOIA-UHFFFAOYSA-N 445.523 4.350 10 20 IICD COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(C)cc1 749727944 LGKTVZKHDAATQH-JOCHJYFZSA-N 444.491 4.422 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(C2SCCCS2)cc1 749860771 WGJQDNCCCWEUEU-UHFFFAOYSA-N 444.622 4.437 10 20 IICD CC(C)(CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccs1 751068443 QCOOBPFQTOXACO-UHFFFAOYSA-N 436.580 4.024 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 751302327 NJNZVZAJBAQQJB-QGZVFWFLSA-N 445.910 4.037 10 20 IICD Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 755081208 KZPNATNSGMIICM-UHFFFAOYSA-N 434.455 4.044 10 20 IICD Cc1ccc(N(C)[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 758406359 CPUAZDOFGOVVRI-PXDATVDWSA-N 436.600 4.203 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1 758414513 AWHSLYNVQRUCPC-VLURKWGBSA-N 433.576 4.132 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc4c(c3)-c3ccccc3C4)CC2)cc(OC)c1OC 759221443 QTAIVPQLXWCOSG-UHFFFAOYSA-N 444.531 4.246 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nc(-c2ccc(Br)cc2)no1 760485359 HSSCCYVPLNDEBB-CYBMUJFWSA-N 444.333 4.126 10 20 IICD CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)[C@]12CCCO2 760881069 NHMPWEIUSYBKGB-ZQWVLENNSA-N 449.183 4.294 10 20 IICD C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O 761160638 PYWGGTKNKATDLJ-JLCFBVMHSA-N 448.350 4.358 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 761972245 HXTJZMUFTALORE-BTYIYWSLSA-N 426.513 4.113 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Cl)cc1OC(F)F 762952096 IXBUSSVDLIJVHK-UHFFFAOYSA-N 439.890 4.472 10 20 IICD Cc1c([C@H](C)NC(=O)NCc2cccc(Br)c2O)cnn1-c1ccc(F)cc1 765443196 HOLDCVHGYBUGPV-LBPRGKRZSA-N 447.308 4.348 10 20 IICD C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765645683 WFYQFQKFLCHTHP-OAHLLOKOSA-N 448.470 4.172 10 20 IICD Oc1c(Br)cccc1CN1CCO[C@@H](c2ccccc2Br)C1 769150677 CPLFNPZKPFRGNF-MRXNPFEDSA-N 427.136 4.491 10 20 IICD CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1OC 769685688 LRJPIDHTQJEDKZ-QGZVFWFLSA-N 446.550 4.144 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(-c4ccc(F)c(F)c4)nc3C)CC2)cc1 777878719 JYYZULIEUQUHRF-UHFFFAOYSA-N 429.492 4.368 10 20 IICD CCCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1 779508735 DNXSEKRORGYBMW-JNSUZQQQSA-N 437.540 4.025 10 20 IICD O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895604 AUEXAVHLNFWNFZ-UHFFFAOYSA-N 442.384 4.388 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](OC)CC2)sc(C)c1-c1ccccc1 783018037 GCNBFYFVFMDQJX-GOSISDBHSA-N 430.570 4.340 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Sc2ncccn2)cc1C 784025706 IMEGQZPWTZPBEP-UHFFFAOYSA-N 436.537 4.019 10 20 IICD CC(C)(C)OCCCCOC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 785412697 LDZRQQYKQGVYOT-UHFFFAOYSA-N 427.544 4.007 10 20 IICD CC[C@]1(C)Oc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2O1 785864932 QCQXZQAFEHNCNK-XMMPIXPASA-N 425.529 4.114 10 20 IICD C[C@@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1ccc(N2CCOCC2)cc1 786826150 AWIZOTRWAUUHIF-CQSZACIVSA-N 437.765 4.359 10 20 IICD C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 786927745 QLESQVUPRNKZEG-CYBMUJFWSA-N 427.398 4.440 10 20 IICD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)cs1 788466110 SZDHDDSTBQVJSE-CVEARBPZSA-N 436.581 4.239 10 20 IICD CC(=O)c1cc(N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1F 794741275 NHSLRMMVXXYINY-ZDUSSCGKSA-N 430.435 4.243 10 20 IICD COc1ccc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)c(O)c1 795284074 HSJSLFZTWBFXEY-UHFFFAOYSA-N 425.794 4.231 10 20 IICD Fc1cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1N1CCOCC1 796516667 VMAVZWLMRIJHAE-QFIPXVFZSA-N 438.465 4.173 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(O)c1 797389893 CZMJSTGUPUVYDJ-UHFFFAOYSA-N 426.856 4.101 10 20 IICD C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CS2 800367580 YKMRPKQUHDYHSC-GCJKJVERSA-N 438.509 4.038 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCCF)c3)cc2Cl)C1 800636572 LCNUPFWQPWDLEL-INIZCTEOSA-N 447.938 4.180 10 20 IICD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)NCc1cc(Cl)cc(Cl)c1O 805119484 MNXXYZOSJDKVDP-UHFFFAOYSA-N 441.702 4.444 10 20 IICD CCOC(=O)c1n[nH]c(-c2cccc(CNCc3cc(-c4ccccc4)ccc3O)c2)n1 809762596 UOADGJTYUWTPOF-UHFFFAOYSA-N 428.492 4.311 10 20 IICD CN(C)C[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccc(F)cc1 809769978 OQRRFGBXNJFCGO-MRXNPFEDSA-N 446.158 4.449 10 20 IICD Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c1C 812392458 NKVCJTIDCKOVAO-PMACEKPBSA-N 436.556 4.413 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2C[C@H]1C 831883951 IAVFAXNLHFKINT-LLVKDONJSA-N 449.504 4.187 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1cccs1 875624455 IFPXPEBYHIEMGQ-UHFFFAOYSA-N 435.549 4.109 10 20 IICD O=C(NCc1ccc(F)cc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 916371279 AYTJZNQADGKJRV-KRWDZBQOSA-N 426.410 4.441 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc4c(cc3Cl)OCO4)cc2F)C[C@@H](C)O1 916673732 VZDKLSCNVIONEI-CHWSQXEVSA-N 435.883 4.143 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(-c4cccnc4)nc4ccccc34)cc2)C1 917390857 CFZSBGUDUPDFMX-FQEVSTJZSA-N 438.535 4.006 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3sc(C)nc3-c3cccs3)CC2)cc1 917821562 SGQMGHGOLCPHKT-UHFFFAOYSA-N 427.595 4.470 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cn2)cc1C 918305101 ARINQMBEEFPYAP-UHFFFAOYSA-N 432.524 4.154 10 20 IICD C[C@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(N2CCOCC2)cc1 920887709 HOXSCUJVZXXEIA-HNNXBMFYSA-N 446.523 4.065 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2cnn(C)c2C)sc(C)c1-c1ccccc1 1337747637 REFNACJYIFCNLW-AWEZNQCLSA-N 440.569 4.231 10 20 IICD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1800718713 ACFZHGJYMKGXLL-DQEVTTJGSA-N 442.943 4.197 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2nnc3ccccn23)c(C)n1-c1ccc(Br)cc1 22422020 KHELAZSNXQTUDA-CQSZACIVSA-N 438.329 4.390 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 303067840 WILHJDKBOFBGQC-UHFFFAOYSA-N 438.509 4.079 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 728983105 UQEFEUPWFBJXSD-CABCVRRESA-N 436.468 4.368 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3ccccc3Br)cc2F)C[C@H](C)O1 729176372 PCNPYTSVUCJSMW-GJZGRUSLSA-N 435.337 4.061 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 732953502 NUKBYWVCSMNQRZ-UHFFFAOYSA-N 442.357 4.409 10 20 IICD O=C(NCCCSc1nccs1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 733884280 PNBSEDAROPABRB-HNNXBMFYSA-N 444.409 4.353 10 20 IICD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCc1ccc(N2CC=CC2)cc1 740919369 PJYNEMAVIQIZRL-UHFFFAOYSA-N 433.531 4.366 10 20 IICD CC1CCN(c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn2)CC1 742800720 LMIIOKZKFVVVRG-IBGZPJMESA-N 444.526 4.318 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Nc2ncccn2)c1 742806570 RTHSSCOYLYPLDV-GOSISDBHSA-N 439.466 4.220 10 20 IICD COc1cccc(Oc2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cn2)c1 743540491 UGRKXFZZPRFJPM-UHFFFAOYSA-N 433.508 4.466 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 743873297 NIUWNJIAFRAFSV-CQSZACIVSA-N 449.345 4.165 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(N2CCCCC2)nc1 745466594 APHGEJSSLXEUMO-UHFFFAOYSA-N 447.377 4.272 10 20 IICD C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745647617 MMUPHDLJLCXOME-WAIKUNEKSA-N 429.511 4.219 10 20 IICD CCn1c(/C(Cl)=C\c2ccc(Cl)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 748999980 TWYCALFMXUHLDS-NTEUORMPSA-N 425.341 4.092 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3NCc3cccnc3)cc2F)C[C@@H](C)O1 751380183 YEXFKUVJSHJDSO-KDURUIRLSA-N 448.542 4.376 10 20 IICD CCOC(=O)c1c(NC(=O)Cc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(C)cc1 754521909 XNZXRFSPXGFCQE-UHFFFAOYSA-N 436.533 4.489 10 20 IICD O=C(c1cc(O)cs1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 754767466 KIXBHJBUCIRWJK-UHFFFAOYSA-N 434.315 4.286 10 20 IICD CCOC(=O)c1c(NC(=O)CCN[C@@H](C)c2cnn(C)c2)sc(C)c1-c1ccccc1 754773099 RLAVTZVJPJPQCN-HNNXBMFYSA-N 440.569 4.313 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2cc(Br)c(F)cc2O)N(C)C)cc1OC 756662341 CMFJPRNIVJYZOO-SJCJKPOMSA-N 441.341 4.265 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(Br)c1F 757870570 GCFJAGUQSXVQDQ-UHFFFAOYSA-N 432.337 4.373 10 20 IICD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(Br)ccc2O)CC1 769161848 SITDLQIZGQJJOT-CYBMUJFWSA-N 449.374 4.145 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)c2)CC1 770144137 RQAFZMDWHNBOTI-UHFFFAOYSA-N 426.536 4.205 10 20 IICD Cc1nc(N2CCOCC2)ccc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 770260828 PPGVAGKVIWNJGD-UHFFFAOYSA-N 437.588 4.317 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 773317993 UCGQTWPTNFIDRA-GOSISDBHSA-N 430.474 4.160 10 20 IICD COc1ccc(CCN(Cc2ccsc2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1OC 779527224 DGPHMVFUZLKJOV-VMPITWQZSA-N 439.533 4.461 10 20 IICD Cn1cc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccc(Cl)cc21 780710803 SIHZQVORVVBYFO-FQEVSTJZSA-N 441.959 4.471 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1csc(C3CC3)n1)c2[N+](=O)[O-] 781986798 AQVHMAXVQZRRGQ-UHFFFAOYSA-N 434.429 4.061 10 20 IICD Cc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782423763 KQDRRCSPVFDQSP-UHFFFAOYSA-N 425.916 4.475 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C(F)(F)F)cnc1O)c1ccc(N)cc1 783484178 AFDTUKOIEUWYPC-ZDUSSCGKSA-N 444.413 4.121 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)cc2OCC(F)F)cc1 784108256 HCHXXFGKUGYSDG-UHFFFAOYSA-N 435.446 4.214 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 787874226 XZBLSCJJXQGFRK-HSZRJFAPSA-N 437.584 4.205 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 793785075 RQKFBFMPTZYRCK-SFHVURJKSA-N 440.437 4.470 10 20 IICD CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)c2)C1=O 794264554 HLCNTBRTBLPFAW-JOCHJYFZSA-N 446.507 4.190 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 795611836 KGOIAXIDSUUURT-UHFFFAOYSA-N 443.865 4.320 10 20 IICD Cc1noc([C@@H]2CCCN2CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 796693804 GOIGAMGFTXVFPJ-IBGZPJMESA-N 430.455 4.407 10 20 IICD Cc1coc(-c2cc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)ccc2C)n1 797749551 ZIUFRFJRSVEFAR-UHFFFAOYSA-N 429.860 4.436 10 20 IICD COC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C 798043166 JMNATBMGIYSVBB-QGZVFWFLSA-N 446.507 4.488 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H](O)c2cccnc2)c(C)n1-c1ccc(Cl)c(Cl)c1 803957209 IGTFRAYEFMJMSN-FQEVSTJZSA-N 433.291 4.255 10 20 IICD CC1CCN(c2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)CC1 807513218 UWCQDUCCNWZPPW-UHFFFAOYSA-N 436.339 4.190 10 20 IICD Cc1csc([C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C2CC2)n1 807627212 NLDHIKAODNYBHV-FQEVSTJZSA-N 427.570 4.086 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Br)cc1 812561833 YKVVGSCUNDGVFH-UHFFFAOYSA-N 437.340 4.308 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1 914605500 ANNOQBLYZKUNLS-UHFFFAOYSA-N 449.592 4.021 10 20 IICD C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 916514710 KEKGFKUVLGIACY-HSZRJFAPSA-N 449.643 4.029 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3nc(C(F)(F)F)cs3)cc2F)C[C@@H](C)O1 916671131 CEPUTYOPMGNAKI-PHIMTYICSA-N 432.443 4.236 10 20 IICD O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(N=Nc2ccccc2)cc1 917315878 MQAAWLRJAXFELP-OAQYLSRUSA-N 444.447 4.374 10 20 IICD COc1ccc(SCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917712488 PENNMQKSNKWFBR-IAGOWNOFSA-N 432.561 4.247 10 20 IICD O=C(Nc1cccc(-c2nccs2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918296064 WABNIFKWCLCOEA-UHFFFAOYSA-N 433.489 4.276 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)c(I)c1 918372198 WKOYQNLKMVHXBO-UHFFFAOYSA-N 442.684 4.034 10 20 IICD Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 919976045 FDXQFPDSFMTVDQ-HNNXBMFYSA-N 445.972 4.228 10 20 IICD CC(C)=CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620819 DLQIJTLLTHIDAG-MWZSMPGESA-N 449.595 4.044 10 20 IICD O=C(OCc1csc(-c2ccccn2)n1)c1cccc2c1C(=O)c1ccccc1C2=O 12258666 WQYXRDBJYXBERT-UHFFFAOYSA-N 426.453 4.338 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cc1 16732581 SGPKLLCQXLNRNZ-UHFFFAOYSA-N 437.565 4.199 10 20 IICD COc1cccc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)c1O 301976347 DRBLLFHACHFZOX-UHFFFAOYSA-N 425.794 4.231 10 20 IICD O=C1/C(=C\c2cc(Br)ccc2OC(F)F)NC(=S)N1Cc1ccccc1 302635953 QBHFDUHBKAFIDN-NTEUORMPSA-N 439.281 4.308 10 20 IICD Cc1ccccc1-n1ccnc1SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 303702415 OERUMMDJDNOTMT-FQEVSTJZSA-N 437.565 4.186 10 20 IICD COC(=O)COc1c(C)cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C 726608209 SEIOQEACTQAXGS-UHFFFAOYSA-N 448.510 4.215 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 726714144 UALHZKQTPYOTLH-SQJMNOBHSA-N 437.584 4.473 10 20 IICD CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 728519821 UBVXYEIZNCKZGO-QFIPXVFZSA-N 441.616 4.453 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 728835952 PPAYXFUZKWZRLJ-UHFFFAOYSA-N 427.426 4.450 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 729536374 ZZEDLZRGCVIRLY-KSFYIVLOSA-N 449.507 4.170 10 20 IICD CCCCNC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731049190 PDJRVYIFLIYFQJ-UHFFFAOYSA-N 436.600 4.452 10 20 IICD O=C(NCCCSc1nccs1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 733971966 HKOAZOBMVSDPNL-UHFFFAOYSA-N 447.895 4.308 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1 734695710 ZTLFMIRCLZLJHV-SJORKVTESA-N 434.492 4.357 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 735517595 KZZIFNSPROWQBA-QHCPKHFHSA-N 438.568 4.476 10 20 IICD Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 741742613 WQUFMUJWBPSJOE-SFHVURJKSA-N 427.564 4.482 10 20 IICD CN(c1ccc(CNC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1)C1CCCCC1 742417121 UWDPNEBGHOGCOA-UHFFFAOYSA-N 444.535 4.228 10 20 IICD C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C[C@@H](C)S1 742772129 HINSELKYMICRFG-IAGOWNOFSA-N 426.607 4.334 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(SCc2cccnc2)cc1 743958403 VIGFHZFYRUSDGO-UHFFFAOYSA-N 447.560 4.213 10 20 IICD COc1c(C)cnc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 745903707 MJRCDNSDAADMCP-KRWDZBQOSA-N 448.514 4.119 10 20 IICD CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1ccc(N)cc1 746403801 IDVCJJWJSWNFKJ-UHFFFAOYSA-N 433.508 4.500 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 747539607 QDJCEEITLATRQE-UHFFFAOYSA-N 426.586 4.044 10 20 IICD CC[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Oc1ccccc1Cl 748960612 PNUBEMQVNAMCIT-GOSISDBHSA-N 449.954 4.097 10 20 IICD Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(C)n1-c1ccccn1 752367816 WVRCFPNUPTXXGD-JBACZVJFSA-N 438.572 4.255 10 20 IICD CCOc1ccc([C@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OCC 753795201 DQSUWLQKHIRTFW-KRWDZBQOSA-N 445.535 4.225 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(-c3ncco3)c1)c2[N+](=O)[O-] 754432372 LNEBMAGFHIXDMT-UHFFFAOYSA-N 439.383 4.278 10 20 IICD C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 755228444 SRXDSZMVPHVDQR-ZDUSSCGKSA-N 441.416 4.462 10 20 IICD COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 755736705 MCZYQJFFAHUVIX-UHFFFAOYSA-N 437.568 4.152 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 756804915 ONPOXQJRLDENTI-QGZVFWFLSA-N 425.529 4.166 10 20 IICD C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(Br)cc(Cl)c1O 756806347 ZKTJQTCGSOZKST-LLVKDONJSA-N 427.726 4.448 10 20 IICD CCOC(=O)c1c(NC(=O)c2cncc(C(=O)OC)c2)sc(C)c1-c1ccc(F)cc1 758865064 KTKFABZLWJBDFS-UHFFFAOYSA-N 442.468 4.473 10 20 IICD COc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)CC2)cc(OC)c1OC 759242508 ZLDYLRXAERXNHF-PKTZIBPZSA-N 446.547 4.318 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 759927489 IAFZMBXYVMHMBH-SFTDATJTSA-N 442.541 4.302 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(F)ccc3Br)SC2=S)cc1 761181772 QPJSNVCCDMQKAF-ZSOIEALJSA-N 437.315 4.093 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])c1Br 765609550 PYEPMYSRAKZMEC-UHFFFAOYSA-N 444.188 4.115 10 20 IICD Cc1ccc(F)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1F 767049694 YSTYNSWBJHSQBY-GOSISDBHSA-N 433.499 4.335 10 20 IICD CC(C)(CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccncc1 769125271 MJQCIJAMTLLUJO-GHRIWEEISA-N 445.635 4.219 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3OCc3csc(C)n3)c2)CC1 770145899 BOHAZVIMMJBAOB-UHFFFAOYSA-N 436.581 4.425 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(Cl)c(Br)c3)SC2=S)CC1 775637286 ODUNBEIUPVCGDJ-ZROIWOOFSA-N 431.808 4.398 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)sc2C)cc1 776083350 QATNLJMXDNHMDR-UHFFFAOYSA-N 433.946 4.232 10 20 IICD C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 777014383 GRAQUBMSDSVABB-JHVJFLLYSA-N 442.909 4.362 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cc(Cl)ccc1OC[C@H]1CCOC1 777667196 NIVFZVYZMUNZQY-LBPRGKRZSA-N 440.930 4.273 10 20 IICD O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 778411374 RCZBCHFRAWABFJ-VWVXPGTBSA-N 448.635 4.090 10 20 IICD CCOC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(OC)c(F)c1 779185310 CXVAZBSFHPWCIP-JOCHJYFZSA-N 445.491 4.127 10 20 IICD C[C@H]1CN(c2ccc(CNc3nn4cc(-c5cccnc5)nc4s3)cc2F)C[C@@H](C)O1 782284452 HDGZBTHUQOFZLZ-GASCZTMLSA-N 438.532 4.218 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CC(C)(C)Cc3ccc(Cl)cc3)cc2)CC1 786255861 OCGZSMXSBRTBNJ-UHFFFAOYSA-N 442.003 4.284 10 20 IICD COc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC 790350485 HEXLEGJHZDNWHJ-UHFFFAOYSA-N 426.966 4.023 10 20 IICD CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 792057354 MBZDSYXZHAJPHF-UHFFFAOYSA-N 449.642 4.310 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccc(N(C)C)cc1 793063126 XQIKNCYFCZDSPG-CTNGQTDRSA-N 438.572 4.162 10 20 IICD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 795766795 CQTRIZXTPZNWMJ-UHFFFAOYSA-N 434.989 4.201 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1 799240650 LDLGLIBMBUOUAE-QHCPKHFHSA-N 438.572 4.115 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](N4CCCCC4=O)C3)cc2Cl)C1 799994065 IHCFLAQBQRRUIR-AZUAARDMSA-N 447.023 4.263 10 20 IICD Cc1oc(C(C)C)nc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 803911274 SFHPJNPVRVEVEH-CQSZACIVSA-N 446.459 4.066 10 20 IICD Cc1cc(O)nc2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc12 808459257 HKMFHCGZWWYWFV-MRXNPFEDSA-N 427.451 4.249 10 20 IICD O=C(Oc1ccccc1)N1CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC1 808680256 JRIMBSPPEPPBQH-HSZRJFAPSA-N 437.584 4.038 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Oc1ccccc1 914037637 QOQWUCIUGLTBJK-GDNBJRDFSA-N 434.336 4.256 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914504425 YEBZBXCYNRIEJB-UHFFFAOYSA-N 444.443 4.041 10 20 IICD O=C(NCCc1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916498306 BGXJPELNHPEUHO-IBGZPJMESA-N 438.446 4.224 10 20 IICD COCCOc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1 916691481 JXPJAEWJOBTCBF-QZTJIDSGSA-N 445.535 4.095 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1c[nH]c(C(N)=O)c1 917339130 PFBGOGNPZJAANG-QGZVFWFLSA-N 430.430 4.039 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1cccc([N+](=O)[O-])c1 917925925 RRQGGBOHWYLXPD-UHFFFAOYSA-N 434.455 4.044 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3-c3ccccc3)cc2)C1 918027585 OXJLJPLJKBQTEL-NRFANRHFSA-N 428.536 4.377 10 20 IICD CC(C)CC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 920814289 QZFSVQBKEBFPKC-QFIPXVFZSA-N 439.556 4.268 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1 921197433 MYSCTLABBWJTID-UHFFFAOYSA-N 429.612 4.150 10 20 IICD Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)c1Br 1321410740 UXBRUEWIWYGWAB-CQSZACIVSA-N 433.350 4.180 10 20 IICD Cc1ccc(NC(=O)N(C)C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 1323406015 JUHYKMUOCAPZRL-UHFFFAOYSA-N 446.498 4.089 10 20 IICD Cc1cc(-c2nnc(-c3sccc3S(=O)(=O)N(C)C)o2)c(C)n1-c1ccccc1 1341329546 SNNDBPNACYGWHO-UHFFFAOYSA-N 428.539 4.123 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1)c1cc(O)nc(O)c1 1788429186 YVAUMYDTWIHNNA-UHFFFAOYSA-N 448.504 4.097 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)CCOc2ccccc2C)c([N+](=O)[O-])c1Br 14274018 GQYCCUBEJARSRS-UHFFFAOYSA-N 440.250 4.098 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 96970869 QFACHVLDOVWBDC-JOCHJYFZSA-N 448.519 4.122 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 108428576 KWDWALLOSZQYID-UHFFFAOYSA-N 435.549 4.362 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 437009222 FXALDMPUKGYLER-UHFFFAOYSA-N 441.431 4.197 10 20 IICD COc1ccc([C@H]2CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C2)cc1 726719169 NSSKFBYKMKADBK-SFHVURJKSA-N 445.510 4.465 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2C)nc1-c1ccccc1 727251373 UNSRUPOSQKMRRK-UHFFFAOYSA-N 436.942 4.288 10 20 IICD O=C(NC1CC1)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 727838872 VZUKZLQZOHQESA-NRFANRHFSA-N 433.474 4.005 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCc1ccncc1 728159994 DDLGSLMSMHGXQP-VKAVYKQESA-N 432.592 4.301 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(F)c(I)c(F)c2)c1 729039083 IMOIFZPSOUCCFB-MRVPVSSYSA-N 448.207 4.166 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H](c1ccc(F)cc1)C1CCC1 729233459 QWHXBCPSCKZPAI-QHCPKHFHSA-N 429.511 4.267 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 731045679 BWCCCHKRYJKWPR-VWLOTQADSA-N 431.536 4.121 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F 731345518 ZTRVRGJZKBPABY-OAQYLSRUSA-N 426.598 4.060 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)cc1F 731364197 SZQROIHJMWHBJV-UHFFFAOYSA-N 446.592 4.146 10 20 IICD CN(C)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1 732283245 SXMLODCTIADZQY-FQEVSTJZSA-N 437.918 4.329 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc21 734739950 IDOBOEYERDWDNU-UHFFFAOYSA-N 433.942 4.173 10 20 IICD CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 734936047 GJPRICAKASZRPM-WJOKGBTCSA-N 447.576 4.031 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 735520183 XRUYYMFCBZZJRU-NRFANRHFSA-N 440.540 4.490 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(Oc2cnccn2)c1 736473476 AEHWHQVRCFCYJU-UHFFFAOYSA-N 429.524 4.053 10 20 IICD COc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 745906374 ZROZNGOMOARGRL-GOSISDBHSA-N 433.499 4.415 10 20 IICD COc1ccc(S[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 750875306 SPZBOFHYHPDEHE-XMSQKQJNSA-N 428.598 4.450 10 20 IICD C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1ccc(Br)cc1O 756459000 VUMQTOVDQMRIOT-VIFPVBQESA-N 429.108 4.497 10 20 IICD CNC(=O)c1cccc(CN[C@H](C)c2cc(Br)cc(Br)c2O)c1 756465679 KQCBOUWZLGSHQR-SNVBAGLBSA-N 442.151 4.128 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 756501809 HARFJIRVDCVCTH-KRWDZBQOSA-N 428.492 4.277 10 20 IICD CCc1ccc(-c2noc([C@@H](C)NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)n2)cc1 760892084 INMFKYMFFSORKZ-QGZVFWFLSA-N 449.555 4.337 10 20 IICD CCC[C@H](C)c1noc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1 761846890 GYVQGHYXPADUKS-LBPRGKRZSA-N 432.458 4.055 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 761971780 BOHHGRMYAOXEOI-ZYOUXONYSA-N 442.943 4.326 10 20 IICD CSCC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nnc2ccccn12 764721084 HYOTWQARQJEORR-OXJNMPFZSA-N 446.020 4.364 10 20 IICD C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1 765536869 UDXOURDBVXWCAF-SJLPKXTDSA-N 446.389 4.255 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@H]1C[C@H]1c1ccc(Br)cc1 765751131 PFOMKTAXHCBLFN-KBPBESRZSA-N 425.120 4.337 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1)C1CCCCC1 767937847 FERLDIANOHXBKX-RPBOFIJWSA-N 442.648 4.023 10 20 IICD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)cc([N+](=O)[O-])c1O 768171903 KDIUMRWCBALEGS-UHFFFAOYSA-N 431.798 4.433 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1 769203813 ULTVQMAWPPUKRR-YADARESESA-N 436.508 4.474 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cc(Cl)ccc1Br 771244927 YUELLEISNCQETB-UHFFFAOYSA-N 437.765 4.140 10 20 IICD COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 773009889 PRFSLVNOMBDNMV-JPYJTQIMSA-N 425.548 4.276 10 20 IICD CC[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1O 775503598 KHTXWYPHIFSUTB-CYBMUJFWSA-N 449.322 4.301 10 20 IICD C[C@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N(C)C)cc1 775513105 NVJVUNYDTYGCEV-HNNXBMFYSA-N 436.478 4.491 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(-c2ccc(F)cc2)n1 777829430 XHSRKBYTCCPNIB-UHFFFAOYSA-N 434.876 4.124 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccc(CN3CCC(O)CC3)cc2)c1O 779021986 IOJZSZPEPJQQNJ-INIZCTEOSA-N 433.390 4.271 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783482568 IGJORVGSZDEJNI-KRWDZBQOSA-N 430.508 4.269 10 20 IICD Cc1csc(C(=O)NCc2ccc(N3CCCC3)cc2)c1I 786764147 RHQLXUMSMMDLEN-UHFFFAOYSA-N 426.323 4.191 10 20 IICD CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 793796891 NDDLMSKPAXHXII-LBPRGKRZSA-N 445.313 4.439 10 20 IICD C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 793804576 XMNJUJOADZGTID-CVEARBPZSA-N 434.005 4.001 10 20 IICD C[C@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(Cl)c1O 797039851 LFNAPHKVLHIBDX-JSGCOSHPSA-N 430.774 4.139 10 20 IICD CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 797466085 DEXDWHTUVQIMCS-FXAWDEMLSA-N 447.530 4.410 10 20 IICD Cc1cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 799023357 ZJIDGJFIFBXCJD-UHFFFAOYSA-N 441.881 4.278 10 20 IICD O=c1ccccn1C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 800315188 ONVSCKFXNCGRLT-JOCHJYFZSA-N 432.524 4.278 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1csc(-c2cccs2)n1 800449103 MICQSLDGIWABAK-UHFFFAOYSA-N 427.595 4.302 10 20 IICD CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(Br)c1O 801070219 UCEJFVPEGFFNQL-IBGZPJMESA-N 446.389 4.255 10 20 IICD CC(C)Cn1c(COCc2ccccc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802675567 GQFFETHOGAZYBZ-UHFFFAOYSA-N 449.599 4.124 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1)C1CCCCC1 803677796 TUWLEVBRDMCCJI-OFNKIYASSA-N 443.632 4.029 10 20 IICD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 807099032 IQVDGYIUYHPTHC-IBGZPJMESA-N 445.563 4.230 10 20 IICD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 808525736 HVMOFTGQONVVEF-UHFFFAOYSA-N 437.930 4.231 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 818789103 FYDLZIXZILHZMF-UHFFFAOYSA-N 438.914 4.060 10 20 IICD Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)c(C)n1-c1ccc(C(C)C)cc1 914507022 XZBCLRYXRVBKTM-UHFFFAOYSA-N 432.568 4.379 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1 918111153 DPLBHHZVCPYWIG-UHFFFAOYSA-N 443.594 4.325 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1Oc1ccccc1 918437533 JDXSSFZREWQGSY-UHFFFAOYSA-N 447.560 4.287 10 20 IICD Cc1cc(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c(C)n1-c1cccc(Cl)c1 919983567 CWSBGUHWIJBVLJ-UHFFFAOYSA-N 425.916 4.467 10 20 IICD C[C@H](NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920873206 ZWFGBLQONKXRJU-SFHVURJKSA-N 431.540 4.469 10 20 IICD CN1CCN(c2ccc(/C=C(/Cl)c3nc(=O)c4ccc(Cl)cc4[nH]3)cc2F)CC1 1321784339 WNVUVOBOUCXJOO-MHWRWJLKSA-N 433.314 4.204 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 1843938999 NSPJUUZASAQFRP-BPQIPLTHSA-N 446.975 4.175 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)c1OCc1cccnc1 33223574 DVJBXTGKIXEEGN-UHFFFAOYSA-N 445.563 4.386 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)ccc21 482867679 JVAPANLFUYSOOR-IRXDYDNUSA-N 436.556 4.165 10 20 IICD CCOc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1OC 731845510 BWEVIJXTKFBUDH-SFHVURJKSA-N 426.557 4.422 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCSCc2nc(O)c3ccccc3n2)cc1 739688714 RUWIEYKUSHRQAN-UHFFFAOYSA-N 438.597 4.464 10 20 IICD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 746035086 HLPHRARCOYFXQC-HXUWFJFHSA-N 440.540 4.490 10 20 IICD CN1CCCc2cc(CNC(=O)N(C)C3CCC(NC(=O)OC(C)(C)C)CC3)ccc21 749559730 SSYUUQFFBBAWLN-UHFFFAOYSA-N 430.593 4.046 10 20 IICD C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 751083387 MUZIXHDNSWHTRC-REWPJTCUSA-N 438.641 4.092 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1cccc(Cl)c1 751301734 FDDBQGZQXGGMHS-UHFFFAOYSA-N 429.871 4.191 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 751823186 MPYWVDBEDNXTSB-QFIPXVFZSA-N 436.512 4.227 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)N(Cc3ccco3)c3ccccc3)cs2)cc1 751931739 SQJNGGISQCTKJE-UHFFFAOYSA-N 447.516 4.299 10 20 IICD COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 753110570 ZBSPETAKOAMOMW-OSPHWJPCSA-N 441.547 4.088 10 20 IICD C[C@H](NCC1(c2cccc(Br)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1O 756479242 JYNAGQKVAONVGK-AWEZNQCLSA-N 435.318 4.462 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cc(Br)c(F)cc3O)C2)c1 756637944 MRFVHZVBDSBJRG-STQMWFEESA-N 439.325 4.241 10 20 IICD C[C@@H](NC[C@@H]1CSCCS1)c1cc(Br)cc(Br)c1O 756649918 SJEWACJPQMWNAB-PSASIEDQSA-N 427.227 4.416 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 760957983 KNSAXEVBEAVFSX-UHFFFAOYSA-N 448.567 4.380 10 20 IICD CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl 764458112 QJYZGBQTLKHKKI-CYFREDJKSA-N 444.019 4.307 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(OCC(F)F)n1 765334954 XFYMXOXHJJIPAO-UHFFFAOYSA-N 430.249 4.248 10 20 IICD Cc1cc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)n1-c1cccc(Br)c1 769365993 PWGKLCZPMIHXAR-SFHVURJKSA-N 447.373 4.315 10 20 IICD O=C(Nc1ccccc1Cl)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 769586691 RYKJAMMLZMIRGH-UHFFFAOYSA-N 447.856 4.007 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-c2cncnc2)cc1F 773817949 JZJRFMYUBJYOSN-UHFFFAOYSA-N 442.441 4.283 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2C)c1 773860369 ZZYBHZMSLDPSOT-SFHVURJKSA-N 432.524 4.373 10 20 IICD CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 777272280 VCQPIIMFSNZNEO-FPOVZHCZSA-N 430.593 4.075 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 782521034 YBUWJUVOPOYIOF-OAQYLSRUSA-N 431.458 4.365 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(Br)nc1)c1ccc(N)cc1 783487056 TZXGQARXNGCNJB-AWEZNQCLSA-N 439.313 4.159 10 20 IICD CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 784551397 YHHDDSPQDURMSP-UHFFFAOYSA-N 447.526 4.257 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sc(-c3ccccc3)nc2C)cc1F 784704467 XDZYWRLGSVZECC-UHFFFAOYSA-N 440.544 4.359 10 20 IICD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)ncn1 786110602 OWAHUAAHIOZNFM-UHFFFAOYSA-N 442.313 4.303 10 20 IICD Cc1cc(C(=O)COC(=O)c2csc(N)n2)c(C)n1-c1ccc(OC(F)(F)F)cc1 788964593 NKKDLKSIYNIZTL-UHFFFAOYSA-N 439.415 4.071 10 20 IICD CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)sc2C1 789372627 WMRKUEHZDRGGEN-KRWDZBQOSA-N 440.613 4.149 10 20 IICD CCNc1cc(C)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 790976321 KHXOJXMQXSRNHR-UHFFFAOYSA-N 431.539 4.247 10 20 IICD COc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 796432962 BKTYIEVSBMGRKV-UHFFFAOYSA-N 429.586 4.082 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)CCCC4)cc2Cl)C1 800636889 QBTUFEGNWSFVSD-INIZCTEOSA-N 440.975 4.105 10 20 IICD Cc1noc(C2CC2)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800637307 WIGWSWVDPQRFLN-CYBMUJFWSA-N 430.936 4.005 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 801620442 DQSOWBYVHBYYIO-UHFFFAOYSA-N 447.601 4.444 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](c2ccco2)C1 802363886 KIESHRGPWPGVBQ-QHCPKHFHSA-N 447.539 4.170 10 20 IICD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 802720804 MLCXCILOONSOTO-UHFFFAOYSA-N 445.522 4.315 10 20 IICD C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 857758464 HXYOUUSANUWYHW-HXUWFJFHSA-N 434.584 4.263 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccnc1OCc1ccccc1 916687760 GYJPOKDQUIXOOX-UHFFFAOYSA-N 446.551 4.191 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1C 917866693 IUGMBRKAJWCGQA-UHFFFAOYSA-N 433.511 4.453 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 918140910 ADAUIXYFXMSQNZ-GASCZTMLSA-N 428.533 4.048 10 20 IICD Cn1c(O)nc2cc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)ccc21 920695311 CUOOASJDEINNIN-UHFFFAOYSA-N 429.436 4.490 10 20 IICD O=C1N[C@H](Cc2ccccc2Cl)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 1320770878 HQOHGWQZZFBFHE-LJQANCHMSA-N 449.885 4.073 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@]2(C)CC2(F)F)cc1 1804147249 ICFARABJWNQNGM-LOCCHRAXSA-N 441.522 4.391 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2)CC1 303292696 BCYJBXGUPFGTFC-NRFANRHFSA-N 440.632 4.103 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCCN(C)CC4)cc3)ccc21 728465997 CELVEDICYLNWLK-UHFFFAOYSA-N 434.584 4.299 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)ccc21 728637795 QJRDMZSBVXEIOT-UHFFFAOYSA-N 446.450 4.301 10 20 IICD CC[C@@H](N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1 729677367 WWENJUYUVNGNQN-JLTOFOAXSA-N 433.533 4.295 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3F)c3nccn3C)cc2)CC1 731049863 SLPDVPAUSOGOOR-QHCPKHFHSA-N 435.547 4.384 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1CS(=O)(=O)c1ccccc1 731183260 XMEWXNAIHGBVIQ-UHFFFAOYSA-N 434.561 4.191 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1ccc(OC(C)C)cc1 731325445 OPRBKBZXVGIGIK-UHFFFAOYSA-N 435.572 4.480 10 20 IICD CC(C)N(C)c1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 731585158 QRFMFMSBBVGQPO-UHFFFAOYSA-N 443.459 4.467 10 20 IICD CCOC(=O)c1c(NC(=O)CN(CC)C[C@@H]2CCOC2)sc(C)c1-c1ccccc1 734152883 YIRZZAJICSHJJY-KRWDZBQOSA-N 430.570 4.197 10 20 IICD CN(C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(F)cccc1F 734675709 LLLXJWYUEDOFEO-HXUWFJFHSA-N 429.467 4.278 10 20 IICD CN(CCCNC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737218162 NMQCUSHPKJTNSF-UHFFFAOYSA-N 439.516 4.414 10 20 IICD COc1ccc(N(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)Cc2ccco2)cc1F 739926379 MEWFKCQZVCBKBK-LJQANCHMSA-N 437.515 4.077 10 20 IICD O=S(=O)(CCN(Cc1ccccc1O)C[C@H]1CCCO1)c1cc(Cl)ccc1Cl 742101990 DJZJBYRPNGDAEF-QGZVFWFLSA-N 444.380 4.154 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1c(F)cc(Br)cc1F 743214273 GGDJGOOWRAQVJF-UHFFFAOYSA-N 440.288 4.228 10 20 IICD COc1ccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c(OC)c1OC 743283871 HCECRLGZAATYAM-GYZOOYGHSA-N 443.546 4.437 10 20 IICD C[C@H]1CCCCN1CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743547239 BUHZGLTYJRTMBM-OALUTQOASA-N 438.563 4.211 10 20 IICD Cc1csc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C2CC2)n1 743554496 GKHJEDDHQZKPCE-STXHMFSFSA-N 432.565 4.155 10 20 IICD O=C(NC[C@H]1CCOc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743599475 DMQXIJKDOPKJOD-SJORKVTESA-N 431.483 4.122 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2C)c1 743889379 NSYMGRYXBIMSGK-UHFFFAOYSA-N 432.524 4.154 10 20 IICD Cc1nn(C)c(=O)c(-c2nc(CN3CCCc4cc(OC(F)F)ccc43)cs2)c1C 750039540 PTJNWAHHMZCRSA-UHFFFAOYSA-N 432.496 4.075 10 20 IICD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N(Cc1ccco1)Cc1ccccc1O 750669325 AGWUYMFPWCMONP-HXUWFJFHSA-N 439.899 4.156 10 20 IICD O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)ccc2[nH]1 751126784 FJIAPXOVPISGSD-UHFFFAOYSA-N 435.889 4.245 10 20 IICD O=C(c1ccccc1F)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 753535475 FGMSRXGVGDMDTN-UHFFFAOYSA-N 434.511 4.458 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1cccc(Br)c1 753663344 HSJZZWYETPKZGL-UYAOXDASSA-N 445.357 4.067 10 20 IICD Cc1sc(NS(=O)(=O)c2cn(C(C)C)cn2)nc1-c1ccc(Br)cc1 753918403 GEKBBNRVKNZAAD-UHFFFAOYSA-N 441.376 4.459 10 20 IICD C[C@H](N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O 756415123 KRXIMLDZTKEFBK-SCLBCKFNSA-N 437.418 4.334 10 20 IICD C[C@H](N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(N2CCOCC2)c(F)c1 762780652 PCFFUFDCYCOVBW-HJPURHCSSA-N 428.939 4.489 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1cccc(Br)c1O 764782640 GRKLEAGWEAIJMM-DIFFPNOSSA-N 427.726 4.384 10 20 IICD CCOC(=O)c1nnc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)s1 768891912 XBVCTXKAHGGKFG-UHFFFAOYSA-N 449.330 4.137 10 20 IICD CC[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)ccc1O 775508571 CSUNVBMYNIAOPC-WBVHZDCISA-N 442.737 4.354 10 20 IICD C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N2CCCCC2)cc1 775578041 UFZRYIDSDYCZLN-GOSISDBHSA-N 431.577 4.207 10 20 IICD COc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCCCC1=O 776846138 BUIKZUQVUAVTCM-KRWDZBQOSA-N 427.520 4.361 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2nnc3ccccn23)cc1 782677271 MDMSQMGYGALCTC-UHFFFAOYSA-N 447.564 4.129 10 20 IICD COCC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 783170342 HZURLSAJMNGDKA-UHFFFAOYSA-N 431.452 4.264 10 20 IICD O=C(COc1ccc(Cl)cc1C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 784054104 QHDMFTNNXRGUAL-UHFFFAOYSA-N 446.828 4.030 10 20 IICD Oc1cc2c(cc1CN1CCC[C@H]1c1nc(-c3ccccc3Br)no1)OCO2 785516045 FMAGYCDILVCBPJ-HNNXBMFYSA-N 444.285 4.271 10 20 IICD O=C1/C(=C/c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1CCc1cccnc1 790590062 HVVIAQHDIYHWSF-WQRHYEAKSA-N 440.981 4.424 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 795397669 GXOVMCBSWDZRCX-UHFFFAOYSA-N 444.457 4.252 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(CC)C[C@@H]2C)sc(C)c1-c1ccccc1 796316666 NVPVUXNIBNLJFF-KRWDZBQOSA-N 443.613 4.255 10 20 IICD CC[C@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccc(F)cc1O 796848198 PMPQQNONZXOZDK-QFIPXVFZSA-N 434.577 4.334 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 797647459 HRXFEGSGUUWMOQ-QFYYESIMSA-N 434.361 4.233 10 20 IICD Cc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)NC(N)=O 800048816 IOSGKFGNPNZBIC-HRAATJIYSA-N 442.991 4.301 10 20 IICD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N(Cc1ccccc1O)C[C@@H]1CCCO1 800564032 WNRFMTIANWGVIN-SFHVURJKSA-N 449.473 4.483 10 20 IICD COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)O1 801600328 OITLIPXAOWPKBW-ZJQURUERSA-N 436.512 4.224 10 20 IICD CC[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1O 810211977 KFBJWQYEVFETGF-IBGZPJMESA-N 442.503 4.436 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccc4OC)n3CC(C)C)CC2)cc1 812219963 USWOJTLOWGGAHY-UHFFFAOYSA-N 435.572 4.335 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC(C)=O 814289563 QZPNOMCPTWUPKT-JMFVHDOESA-N 433.551 4.019 10 20 IICD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 913073292 UQNJJXSTWPYMJR-UHFFFAOYSA-N 431.829 4.451 10 20 IICD CC(=O)Nc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 913145074 HWKIMDSFIJLETM-QFIPXVFZSA-N 426.586 4.089 10 20 IICD CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC)Cc3ccc(N(C)C)cc3)cc2)c1C 915063175 FWSGDVXVUNXMAR-UHFFFAOYSA-N 434.540 4.086 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3csc(-c4ccc(C)o4)n3)CC2)cc1 915223484 MNAKDMQEFFRXTO-UHFFFAOYSA-N 443.594 4.302 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 915758717 MDAWYEBNEJFKLN-UHFFFAOYSA-N 445.479 4.055 10 20 IICD CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 915902218 UYJROIOZXHRWLA-DHIUTWEWSA-N 425.573 4.166 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)cc1 917210964 UPSYDMHFBUJKIZ-KRWDZBQOSA-N 431.964 4.205 10 20 IICD COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 917940313 DEKDTCPUZINPJH-JKSUJKDBSA-N 428.488 4.148 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 918018642 YQUVJACSBVSKCI-UHFFFAOYSA-N 434.515 4.486 10 20 IICD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)C1 918455536 CVGCNUNHZXABJP-FQEVSTJZSA-N 448.611 4.114 10 20 IICD CCOCCCn1c(-c2ccc(C)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1263293880 DHRRJVIUPWWMSC-UHFFFAOYSA-N 449.599 4.405 10 20 IICD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c(C)n1 1844608655 IYHNPJZPRBESLN-UHFFFAOYSA-N 442.563 4.237 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(O)c(F)c2)C3)cc1 1845399110 QRJGAEHAEMIIFG-UHFFFAOYSA-N 447.510 4.070 10 20 IICD COc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 10191918 CZIPETUHFAZDLX-UHFFFAOYSA-N 426.444 4.046 10 20 IICD O=C(NCc1ccc(N2CCCCCC2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 71928471 NCNFSTDGWPXJPQ-JOCHJYFZSA-N 438.572 4.058 10 20 IICD OC1CCN(c2ccc(CNc3ccnc4cc(Br)cnc34)cc2F)CC1 302124734 VZJHDMKUSBSEGP-UHFFFAOYSA-N 431.309 4.105 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(CCN4CCOCC4)cc3)ccc21 483436832 ILNWQFVCCGAILG-UHFFFAOYSA-N 435.568 4.032 10 20 IICD O=C(NCc1cccnc1OCC(F)(F)F)N(Cc1ccco1)Cc1ccccc1O 726091048 CJQRWOBNAKSVKX-UHFFFAOYSA-N 435.402 4.233 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1N1CCCCC1 727030505 SHDKTFWNKJILKA-UHFFFAOYSA-N 426.536 4.317 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3csc(-c4cccs4)n3)SC2=S)cc1 728611277 YKWLIOVPPCDXPE-ZSOIEALJSA-N 429.573 4.376 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)ccc21 728637069 HQRZESUIIVCUPK-SFHVURJKSA-N 438.524 4.480 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 728836378 ZGMUUKQOTKWJAQ-UHFFFAOYSA-N 425.435 4.032 10 20 IICD O=C(c1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1)N1CCOCC1 731900819 ZTAAVODKAJUSIC-UHFFFAOYSA-N 437.540 4.231 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 732256595 IHGFPIYDTPOEBY-QGZVFWFLSA-N 449.517 4.345 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCC(=O)N1Cc2ccccc2C1 732474471 OFZVGNABGQNACH-UHFFFAOYSA-N 434.584 4.141 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cc21 734740700 QETAURLSGSBRRA-UHFFFAOYSA-N 427.551 4.137 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(COC2CCCC2)cc1 740465868 ULKWQJRRKNVEDG-UHFFFAOYSA-N 427.520 4.443 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2nccn12 741969893 PSLDGPGHBWQONU-OWBHPGMISA-N 428.564 4.016 10 20 IICD COc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)c1Cl 742278143 AVGACADXQPZNPB-UHFFFAOYSA-N 447.409 4.034 10 20 IICD COc1ccc(-c2nnc(SCC(=O)NCc3ccc(N4CCCCC4)cc3)o2)cc1 742476236 PGNHDDAIMZOWGP-UHFFFAOYSA-N 438.553 4.144 10 20 IICD Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)N2CCOCC2)o1 745397717 COISPYIXTIUXQW-JOCHJYFZSA-N 441.572 4.211 10 20 IICD COc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 746221550 UAYLFKSEGUURIF-HNNXBMFYSA-N 437.462 4.111 10 20 IICD COCCCOc1cccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 752171611 WKKAHAAJHZFWMP-UHFFFAOYSA-N 425.573 4.338 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)c[nH]1 753138902 QNAQKWDFZTXVIQ-VGOFMYFVSA-N 442.440 4.101 10 20 IICD Cc1cc(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1-c1nccs1 754654543 GWSLHLGBJMFHIL-IBGZPJMESA-N 425.554 4.120 10 20 IICD COc1ccc([C@@H](N[C@@H](C)c2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622818 YZMAHBVMVGXBGV-NPMXOYFQSA-N 429.513 4.384 10 20 IICD C[C@H](N[C@H](CO)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756714516 ZHQPQPVFGFSSBG-BJOHPYRUSA-N 433.115 4.441 10 20 IICD COc1ccc(O)c([C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 756873797 KGRYDTHZWLMBME-HRAATJIYSA-N 429.561 4.383 10 20 IICD COc1cc(Cl)cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1O 761192550 ROSYKYHRPCCRPM-UHFFFAOYSA-N 425.312 4.264 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](NC(=O)c1cccs1)C(C)C 761752306 HQSORPGXEKMUQO-QGZVFWFLSA-N 439.375 4.019 10 20 IICD COc1ccc(N2CCC(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 765127764 QJGUZMASGONMNE-OALUTQOASA-N 427.564 4.207 10 20 IICD C[C@H](NCc1ccc(OCCCN(C)C)cc1)c1ccc(N2CCOCC2)cc1Cl 765703651 ABVWOBCKZKNJEK-IBGZPJMESA-N 432.008 4.358 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1)c1ccc(N(C)C)cc1 773856152 JMGKBNNTKYWGJR-LJQANCHMSA-N 430.552 4.205 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl 774960102 RSKDUFINBGCOFB-LBPRGKRZSA-N 426.319 4.034 10 20 IICD COc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1OCc1ccncc1 774977412 OZHVLOAQCPPYBB-OAHLLOKOSA-N 439.468 4.142 10 20 IICD CC(C)[C@@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCCO2 775831352 QTSCCOIRVDWPLQ-IQGLISFBSA-N 425.573 4.078 10 20 IICD CCc1c([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)oc2ccc(C)cc12 776158414 TVCHBQXMKQYSJM-SFHVURJKSA-N 426.582 4.389 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 776245546 HUBQYHXPTAVRDS-UUOWRZLLSA-N 447.583 4.399 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCc4c(ncn4-c4ccccc4)C3)cc2)CC1 779348519 VSJFOJOTOMHWDO-UHFFFAOYSA-N 429.568 4.377 10 20 IICD C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1(C)C 780808602 KOOPEFHMFSDDBG-UXPWSPDFSA-N 445.604 4.076 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1)c1ccc(N)cc1 783484600 FOXSJQCDNZVLGG-GCJKJVERSA-N 445.519 4.169 10 20 IICD CCN1CCc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc21 783485223 HXZYWINDEUQQNO-GOSISDBHSA-N 428.536 4.384 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)cc1 793574979 LLRHUNOUQHFQOK-RYUDHWBXSA-N 430.339 4.499 10 20 IICD O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(-c2ccccc2)c1 795849185 SYUCZITYKXZSHK-UHFFFAOYSA-N 436.577 4.041 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 800046889 DUQBCEDOQUATDS-UHFFFAOYSA-N 442.924 4.074 10 20 IICD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3cc(Cl)cc(Cl)c3O)cc21 800311838 RZHDCVPCLBRXRL-UHFFFAOYSA-N 435.355 4.492 10 20 IICD COC(=O)CN(Cc1cnc(NC(=O)OC(C)(C)C)s1)Cc1cc(Cl)ccc1O 800511324 WCCMQJGILHVNAH-UHFFFAOYSA-N 441.937 4.024 10 20 IICD COc1ccc([C@H]2NC(=O)N(Cc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2=O)cc1O 804188872 SKGPKZAYNNKASO-LHSJRXKWSA-N 443.931 4.084 10 20 IICD COc1cc2c(cc1NCCOc1ccc(S(=O)(=O)N(C)C)cc1)oc1ccccc12 810276320 MCMGKFJNQVBOTP-UHFFFAOYSA-N 440.521 4.336 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 818890036 LZENHTMRAFKUGO-HSZRJFAPSA-N 433.552 4.466 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 916217989 ZINUOFGGJXENSG-RUZDIDTESA-N 438.616 4.056 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCCOC)c3)SC2=S)cc1 917641877 CIKPQFSXAPVROA-XMHGGMMESA-N 443.546 4.294 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1C(F)(F)F 919919886 GQMXZUYBHNTVKO-CQSZACIVSA-N 439.453 4.366 10 20 IICD Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2F)n1 920870714 AWCXLFBSXXNGHI-SFHVURJKSA-N 437.519 4.348 10 20 IICD COc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCCC(C)C 920881980 UAZGGQKOFNKGRU-LJQANCHMSA-N 426.557 4.448 10 20 IICD CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 1319088736 JMGOZVFKRRNVRQ-CPNJWEJPSA-N 442.562 4.100 10 20 IICD O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1Br 1326508293 CLEGRTKTAKUMGU-UHFFFAOYSA-N 429.094 4.079 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c1 1326709976 FKBRPPRNTYDUEH-MRXNPFEDSA-N 434.870 4.195 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2C)c1 8761511 WIGZGBKNKUDISB-UHFFFAOYSA-N 448.504 4.317 10 20 IICD COc1ccc(N2CCCN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 303579142 JZRRTQNPHSFXRN-NRFANRHFSA-N 433.474 4.032 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(CS(=O)(=O)C(C)C)c3)ccc21 487577150 SNBWYWZOFZFICD-UHFFFAOYSA-N 442.581 4.480 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3csc(-c4ccc(OC)cc4)n3)SC2=S)cn1 726197557 UQCWTHZSGDUXKA-PXNMLYILSA-N 428.564 4.441 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)C[C@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 726714143 UALHZKQTPYOTLH-PXDATVDWSA-N 437.584 4.473 10 20 IICD Cc1cc(C(=O)CSc2nncn2C(C)(C)C)c(C)n1-c1ccc2c(c1)OCCO2 727654697 JDPUADBIEDLPRD-UHFFFAOYSA-N 426.542 4.187 10 20 IICD O=C(NCCOc1ccccc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 730125557 VTYBQPACVDOBQL-KRWDZBQOSA-N 438.446 4.181 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2F)CC1 730132249 ANMSJZNVVZIQBR-UHFFFAOYSA-N 440.538 4.106 10 20 IICD Cc1oc2c(CN3CCC[C@H](N4CCCC4=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 732187371 SCPLMJANYYKHBD-IBGZPJMESA-N 432.520 4.061 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)cc1 742755447 WZHFYLYRSKCOOP-FQEVSTJZSA-N 447.963 4.167 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1nc(O)c2ccccc2n1 743809018 KWYQISXIQOTOFJ-UHFFFAOYSA-N 444.329 4.175 10 20 IICD COc1cc(-c2nnc(CN(Cc3ccccc3O)C3CCCC3)o2)cc(OC)c1OC 743848862 ZPJUJXWOHUAJKP-UHFFFAOYSA-N 439.512 4.413 10 20 IICD CCc1cc(N2CCC[C@@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)C2)ncn1 745816698 LPPHOBOFNDCNSR-OAQYLSRUSA-N 437.588 4.258 10 20 IICD C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(NC(=O)c2ccncc2)cc1 745819777 DHJCICISFBTYKJ-KRWDZBQOSA-N 444.535 4.479 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H](CCCO)c1ccccc1 745837776 JOBTYDZRCXBCQV-RXVVDRJESA-N 433.499 4.070 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905362 NNJVZHCHQBZEAP-GOSISDBHSA-N 432.515 4.164 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 746314822 YYBQPDQDJFVHJH-HNNXBMFYSA-N 448.539 4.385 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCc2ccc(F)cc21 746804957 QYCRHGOAZJMQBP-SFQUDFHCSA-N 432.567 4.458 10 20 IICD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)NCc1c(O)ccc3c1CCCC3)C2 748361661 QZLWOSWHESUETR-OALUTQOASA-N 428.573 4.455 10 20 IICD O=C(NCCCSc1nccs1)c1cc(Br)cc([N+](=O)[O-])c1Cl 749430248 LNBYMNSGCXCAEC-UHFFFAOYSA-N 436.740 4.379 10 20 IICD CC(C)C[C@@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 752227719 YXPIQUDMXGDPEO-KMHUVPDISA-N 441.416 4.201 10 20 IICD COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccc(C)cc3)CC2)cc1F 753919750 VRJDEOZNSCLSHX-GBXCKJPGSA-N 441.547 4.142 10 20 IICD CC(C)n1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1ccccc1 754185838 YMUMPBKOSXPBME-UHFFFAOYSA-N 432.568 4.270 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)n2)c1 755082574 NOUNJHGRXRJHNT-UHFFFAOYSA-N 449.510 4.153 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCOc2ccc(F)cc21 755642986 FOFCDUVWXIQSJJ-SFQUDFHCSA-N 448.566 4.294 10 20 IICD C[C@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc2ccccc2c1O 756466374 QAMGZVDSVIBZOU-RXVVDRJESA-N 434.536 4.070 10 20 IICD Cc1nccn1C[C@H](C)CN[C@H](C)c1cc(Br)cc(Br)c1O 756534066 KJDJWNZUGNRFQE-GHMZBOCLSA-N 431.172 4.409 10 20 IICD O=C(NCCCSc1nccs1)Nc1cccc(F)c1I 759999817 ISFSRQMXFAYVAX-UHFFFAOYSA-N 437.303 4.191 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)cc(OC)c1OC 760093670 AZKTXCRVNGZWIX-HSZRJFAPSA-N 441.572 4.331 10 20 IICD C[C@H](NC(=O)Nc1nnc(/C=C\c2ccco2)s1)c1ccc(N2CCOCC2)cc1 764002715 WTFFVDLBFVUQQK-CDNLZTBQSA-N 425.514 4.021 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nnn1-c1ccc(F)cc1 765125178 CQEIYYXZWHQZGI-ULQDDVLXSA-N 441.526 4.318 10 20 IICD Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cnn1C1CCCC1 772954458 MLIHSZYEPJFIAB-UHFFFAOYSA-N 449.555 4.133 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773218300 NYRAOGVQNCYEPN-UHFFFAOYSA-N 427.854 4.412 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(c1nccs1)C1CCCCC1 775254172 IMVTZHSANUROED-MOPGFXCFSA-N 442.629 4.385 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(c1nccs1)C1CCCCC1 775254174 IMVTZHSANUROED-OALUTQOASA-N 442.629 4.385 10 20 IICD C[C@H](NC(=O)C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1)c1ccc(N(C)C)cc1 775406188 VMNCTHLWZCRBEI-OALUTQOASA-N 436.600 4.044 10 20 IICD CC[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)ccc1O 775508570 CSUNVBMYNIAOPC-RDJZCZTQSA-N 442.737 4.354 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CC[C@@H](O)C(C)(C)C2)sc(C)c1-c1ccccc1 782578106 FZNDPXLMVDAWAP-GOSISDBHSA-N 444.597 4.322 10 20 IICD Cc1cc(C(=O)NCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] 782773625 LVSPUVGTKJPNGM-GOSISDBHSA-N 447.491 4.129 10 20 IICD CSc1c(F)cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F 784643576 LVGVLNZVJAMIHV-UHFFFAOYSA-N 432.448 4.153 10 20 IICD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCCc2cc(OC)ccc21 796329936 YRIFGBMCUZHFRV-UHFFFAOYSA-N 438.446 4.131 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc4c3oc(=O)n4C)cc2Cl)C1 800551566 KIENKMMMPPZVSL-CQSZACIVSA-N 428.920 4.343 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O 800893076 JHFAPXCUWQOAJD-MRXNPFEDSA-N 443.382 4.289 10 20 IICD CCN(CC)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCC(=O)NC)cc1 914715972 PJFRSRNVMYRJDL-MNDPQUGUSA-N 442.563 4.044 10 20 IICD CCOc1cc2c(cc1NC(=O)NCc1ccc(N3CCSCC3)cc1)O[C@@H](C)C2 916625314 BIZUBVYGKNIKAU-INIZCTEOSA-N 427.570 4.284 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)c1cc(OC)ccc1OC 916986113 IZFMWBVKYRGBHK-LJQANCHMSA-N 442.537 4.184 10 20 IICD COc1ccc(N2CCCN(Cn3ncn(-c4cccc(Cl)c4)c3=S)CC2)cc1 917487417 LQYGIYGHNDAVTM-UHFFFAOYSA-N 429.977 4.235 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2F)C[C@@H](C)O1 917710084 APYPPVIHEBWEKL-QZTJIDSGSA-N 448.542 4.044 10 20 IICD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294259 ONOXHPRHNCRNAI-UHFFFAOYSA-N 433.508 4.061 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cc2)C1 920082817 FLHZVFCRYAOQNO-OAHLLOKOSA-N 442.972 4.028 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1cccs1 920090032 KSSHFFYRUSMBCH-HDICACEKSA-N 433.593 4.028 10 20 IICD C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(N2CCOCC2)cc1 920880982 QGWCCMYFKBTHPA-GOSISDBHSA-N 446.576 4.319 10 20 IICD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)no1 1790775892 UKJLJAYAKZWOSP-UHFFFAOYSA-N 441.871 4.109 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cn2)cc1 1795297762 VXMNBBDRYMOYNW-UADZTWIMSA-N 446.526 4.194 10 20 IICD Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1803640624 XCNASUZOKNUTFB-BJWYYQGGSA-N 449.334 4.279 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828485844 HOOJGZBBJDZBKH-XFQXTVEOSA-N 448.991 4.421 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 303138014 CKYBYUNMNXIDKK-FYYLOGMGSA-N 425.548 4.263 10 20 IICD COc1ccc(C)cc1C1(CNC(=O)NCc2c(C)c3ccccc3n2C)CCOCC1 471722272 AMXGZZPIOWPYOX-UHFFFAOYSA-N 435.568 4.351 10 20 IICD O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1)C1=S=CC=C1 614926591 GFZMUEHNKIQIFW-UHFFFAOYSA-N 447.560 4.171 10 20 IICD CCCCc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726726023 JXEFSYWOISPKSK-UHFFFAOYSA-N 445.510 4.354 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@](O)(c3ccccc3)C(F)(F)F)ccc21 728967122 IRKRBTBBSUWGJC-QFIPXVFZSA-N 434.458 4.084 10 20 IICD COc1ccccc1OCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 729233634 UMCHVFHLSDBZFT-UHFFFAOYSA-N 449.498 4.034 10 20 IICD O=C(O)c1ccoc1COc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 730950252 BMQXNBKXQRTANG-ZDLGFXPLSA-N 438.486 4.358 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CN(Cc3ccco3)Cc3ccccc3O)cc2)C[C@@H](C)O1 731844634 LTTKBYDAZRLPEV-BGYRXZFFSA-N 449.551 4.240 10 20 IICD Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 734235620 KXBJUFZTGCKDFE-UHFFFAOYSA-N 437.931 4.282 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 734523269 FFMDLERUDNONET-UHFFFAOYSA-N 427.552 4.458 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 735822477 BAGDFKNFIAKJEX-UHFFFAOYSA-N 435.572 4.041 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1Br 742411798 WMBZRMMJHYBTRO-ZDUSSCGKSA-N 436.262 4.343 10 20 IICD COc1ccc(-c2n[nH]cc2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742799206 IOJUJRCDFSBWPQ-INIZCTEOSA-N 442.466 4.086 10 20 IICD CCn1ncc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21 743126828 CWXVXALNBZLNFY-QGZVFWFLSA-N 429.471 4.448 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)c1 743285812 XPUFVCXGEMNSTL-NVMNQCDNSA-N 426.498 4.211 10 20 IICD COc1cc(Cl)ccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743597960 FPMQWASKGGHWKP-INIZCTEOSA-N 439.890 4.418 10 20 IICD COc1ccc([C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)cc1 745903838 IWZFIDFLGKEXDG-RTBURBONSA-N 445.510 4.465 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n(-c2ccc(C(F)(F)F)cn2)n1 746707557 BFTASVHEJNMBPR-UHFFFAOYSA-N 436.413 4.121 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 746826395 OBGBUYAUTPDXLF-UHFFFAOYSA-N 425.432 4.097 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2c(F)cccc2F)CCCC1 749195080 WMGBDTIRECVTFX-UHFFFAOYSA-N 447.501 4.252 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2cc(Br)ccc2OC(F)F)cc1F 749929486 BAQKJJOLRIMURV-UHFFFAOYSA-N 446.267 4.255 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)n1 751015356 ACYBMVWXOAUTKZ-UHFFFAOYSA-N 435.528 4.108 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)cc1 751268130 PKKCKJAHNYGCJD-UHFFFAOYSA-N 447.432 4.247 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3-c3nncn3C(C)C)CC2)cc1 753557423 NJZZIEAWBZWGTR-UHFFFAOYSA-N 434.544 4.325 10 20 IICD C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O 756872984 FOUFTOHIIDMFMX-QRWLVFNGSA-N 444.532 4.283 10 20 IICD C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(Cl)c1O 757655731 FYJGEQYRGFZUGZ-SJKOYZFVSA-N 438.753 4.045 10 20 IICD Fc1ccc(/C=C\CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1 757822229 GREFGYCWTGPQFS-IWQZZHSRSA-N 439.485 4.024 10 20 IICD O=S(=O)(Nc1ccc(O)cc1F)c1csc(-c2ccc(Br)cc2)n1 758171573 VLUWUXWEWCVTEL-UHFFFAOYSA-N 429.292 4.218 10 20 IICD CC(C)OCCCc1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 762225909 MSWHSVZKZYAOKV-NTCAYCPXSA-N 437.612 4.323 10 20 IICD COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2cccc(Br)c2O)cc1 765733653 ZIOSSPUWGYDTSN-UHFFFAOYSA-N 434.330 4.469 10 20 IICD CCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1Br 772129826 WGLJDLBAVFYIJC-UHFFFAOYSA-N 439.693 4.176 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c1 773762524 KURZIIXOOVMASX-QUJCMNEKSA-N 437.334 4.300 10 20 IICD COc1ccc(-c2nc(NC(=O)CN[C@@H](C)c3cc(OC)ccc3O)sc2C)cc1 775371532 ZSCAQEQPWAVBQH-ZDUSSCGKSA-N 427.526 4.131 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC(c2nc3ccccc3[nH]2)C1 775715990 OBBYREHUWJMLBE-UHFFFAOYSA-N 437.135 4.393 10 20 IICD CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H]1Oc1ccccc1 776532810 HDIPQHJHASBANS-JRFVFWCSSA-N 436.508 4.322 10 20 IICD CN(C)c1ccc([C@H](CNC2CCC(O)(C(F)(F)F)CC2)NC(=O)OC(C)(C)C)cc1 777301560 KONBUUOQYAXBRP-JGCRXCKMSA-N 445.526 4.144 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSCCSC(C)(C)C)cc2F)C[C@@H](C)O1 783537095 CEWGHIZBWVTNAB-IYBDPMFKSA-N 428.639 4.320 10 20 IICD COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1Br 784105063 BJCIIWTUIAMPCS-UHFFFAOYSA-N 446.345 4.202 10 20 IICD CC1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC(C)(C)O1 785802850 LVAVOFUZRYHJGS-PTNGSMBKSA-N 438.640 4.146 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 786873656 DIEPNVHSHKYUJJ-LLVKDONJSA-N 428.919 4.271 10 20 IICD Cc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccn2)cc1 792040661 USSSICDMIAZLGP-RUZDIDTESA-N 448.542 4.079 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl 792331019 ULNGLGBZCBHKMY-UHFFFAOYSA-N 449.938 4.099 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cccc2nsnc12 799183161 DPGQMIKHKFXNFV-UHFFFAOYSA-N 430.492 4.469 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2Cl)C1 800569922 CPIXTVRJOBREGN-MRXNPFEDSA-N 428.964 4.070 10 20 IICD COc1cc(C=O)ccc1OCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800572382 WTBSUMIJTISCHR-MRXNPFEDSA-N 430.932 4.093 10 20 IICD C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H](C)O1 801785868 AJLZEVJRBVHAAR-XMTFNYHQSA-N 425.520 4.150 10 20 IICD CN(C)c1ccc([C@H](CNc2nc(C(F)(F)F)ns2)NC(=O)OC(C)(C)C)cc1 804679845 FXHIDNVLGSYOSZ-ZDUSSCGKSA-N 431.484 4.301 10 20 IICD O=C(NCc1nc(-c2cccc(Cl)c2)no1)NCc1cc(Cl)cc(Cl)c1O 805124105 XFVRXIVJYWLUKF-UHFFFAOYSA-N 427.675 4.402 10 20 IICD O=C(COC(=O)CN1C(=O)COc2ccccc21)Nc1ccc(N=Nc2ccccc2)cc1 806905574 PKLHHGCGCHXLEI-UHFFFAOYSA-N 444.447 4.009 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1 815406422 HXRBUVRXYHMOBY-NRFANRHFSA-N 447.535 4.017 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 918309760 IFHTVDFUFMRANY-UHFFFAOYSA-N 444.963 4.132 10 20 IICD C[C@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1 920035116 VMLRQCYOMZJCTE-CYBMUJFWSA-N 432.407 4.043 10 20 IICD C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(N2CCOCC2)cc1 920888563 QAJYDUVLDAPGCK-LJQANCHMSA-N 426.520 4.353 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)cc1 1318347732 BZNXDVMJDUFIAH-UHFFFAOYSA-N 444.531 4.486 10 20 IICD O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3ccc(N4CCC(CO)CC4)cc3)c2c1 1324252329 UEQCIDWRMCGGTR-UHFFFAOYSA-N 427.892 4.012 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4C(=O)CCCC4=O)cc3)c2C)cc1 58225560 BNCUYANBOVHCDJ-UHFFFAOYSA-N 431.492 4.399 10 20 IICD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)c(F)c1 301117618 YSEKQBSDZKCGFB-UHFFFAOYSA-N 444.341 4.110 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 303796119 RKIAHOOFMQYUGR-HTAPYJJXSA-N 431.964 4.094 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 726561725 OCWTXZOYVANVKN-LEWJYISDSA-N 429.358 4.346 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc3c(c2)OCCCO3)cc1 727275188 OODGYXSBTWWARD-NRFANRHFSA-N 441.597 4.292 10 20 IICD Cc1cc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 732175749 AERGGQZVHWSHKE-UHFFFAOYSA-N 445.972 4.073 10 20 IICD C[C@@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ccc(Br)cc1Br 732354857 UGWZAXFAHSVZTB-SSDOTTSWSA-N 449.120 4.163 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(C)c3)n2)c(F)c1 735407621 JCQFRWPUJLYQOJ-UHFFFAOYSA-N 440.909 4.065 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 735516278 MYGSCPLQMYLKGD-NRFANRHFSA-N 435.524 4.188 10 20 IICD O=C(c1csc(Cc2ccccc2F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735519680 RVLLNJOABXKCDL-SFHVURJKSA-N 426.513 4.400 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)c2C)c1 739935790 GENSVINDXWXEGT-UHFFFAOYSA-N 431.462 4.020 10 20 IICD C[C@@H]1CCCC[C@H]1OCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753615 KPZYTZWMDASYHP-JRGCBEDISA-N 433.593 4.030 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2F)C[C@@H](C)O1 743554856 MTPJEPSNWDOLDU-JQVVWYNYSA-N 425.548 4.214 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C(F)(F)F 743887563 LIGMTGKOMQWTTL-UHFFFAOYSA-N 432.398 4.480 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC(=O)c2ccc(N3CCOC3=O)cc2)c1 744883944 AGZUAVITNKNTOV-UHFFFAOYSA-N 432.476 4.399 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 745834481 KIXRUNREXRWNAG-OAQYLSRUSA-N 428.964 4.132 10 20 IICD Cc1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1-c1ccccc1Br 746622916 AWZLJENUMJTBAV-QGZVFWFLSA-N 441.373 4.295 10 20 IICD Cc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)s2)c(C)c1 747209420 FHNIDMPYINUNHR-UHFFFAOYSA-N 439.556 4.457 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1C 747990675 KOGJPCQDUSHGHC-UHFFFAOYSA-N 431.580 4.289 10 20 IICD COc1ccc(N2CCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)cc1 750032417 KYGRBRGNJSMFJM-UHFFFAOYSA-N 439.357 4.237 10 20 IICD CC(=O)N1CCc2sc(C(=O)COC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2C1 754909358 RQBHRIUVEAMPOB-UHFFFAOYSA-N 436.533 4.100 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccccc1Br 755122722 OIWRPMSKFSGDLS-OAQYLSRUSA-N 444.373 4.332 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(OCC2CC2)c(F)c1 759344434 HADITTKIFFXWRS-SFHVURJKSA-N 441.547 4.354 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)c(C(F)(F)F)c(F)c1 760393079 JYUIVYRNIOOJHW-UHFFFAOYSA-N 432.364 4.014 10 20 IICD CCCc1c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1cc(C)ccn1 760969307 IVBKMUILNBFDNA-IBGZPJMESA-N 448.571 4.248 10 20 IICD Cc1ccc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)cn1 761632541 HHCIXOCUFTWETD-GDNBJRDFSA-N 428.564 4.336 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2cnc(-c3ccccc3)n2)cc1 761711992 KPKPCBKPAWTBFN-UHFFFAOYSA-N 441.535 4.253 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 761879683 GTPGEXFUMFVUSZ-UHFFFAOYSA-N 445.567 4.193 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 764957047 RGADIWKYSTYENT-SFHVURJKSA-N 445.293 4.413 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2c(c1)CCC(=O)N2 765078546 LWGCAGDHWRJCHA-OAHLLOKOSA-N 433.474 4.278 10 20 IICD CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CCC2 765228431 GKNFKTLDLJXZQH-LLGFUMIMSA-N 443.567 4.094 10 20 IICD Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 765257814 ZTSNKWHEYVLHHQ-OXQOHEQNSA-N 435.597 4.066 10 20 IICD COc1cc(C)c(Br)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 765336445 DEQUZUNYELIGST-HNNXBMFYSA-N 448.361 4.485 10 20 IICD C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(O)c1 768696705 KYEUZHYHZRLGTH-IGWPVBGESA-N 432.592 4.313 10 20 IICD CCOc1ccc(N(CC)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 769684513 NKJVSDCOKFXCRK-UHFFFAOYSA-N 446.550 4.320 10 20 IICD Cc1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(Cl)c1 772740885 HEPPXHCVHCGUHL-NRFANRHFSA-N 426.948 4.067 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc(N2CCOCC2)cc1 773241990 CTOOWKRUWIJAGP-OPAMFIHVSA-N 447.938 4.160 10 20 IICD CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Br)ccc1O 775491373 IVXFQYWEICGLJA-SCLBCKFNSA-N 441.391 4.207 10 20 IICD Cc1cc(Br)cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1O 775662575 GCBJHIKLAZQLLI-UHFFFAOYSA-N 431.374 4.130 10 20 IICD COc1cc(-c2noc(CCCCCNCc3cc(Cl)cc(F)c3O)n2)ccc1O 776175314 KYQIFRHZCRICRX-UHFFFAOYSA-N 435.883 4.452 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)c1O 779039531 GUENAIIJBVUJMQ-CYBMUJFWSA-N 425.348 4.176 10 20 IICD COc1ccc(NC(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1OC 782720426 BCXRGAKAZDZRBQ-UHFFFAOYSA-N 440.521 4.182 10 20 IICD CN(C)C(=O)COc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 783203097 WSHWKFSBHWDDLV-UHFFFAOYSA-N 445.479 4.146 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 783315687 GXZMKWDTFGQJAO-UHFFFAOYSA-N 432.524 4.316 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(-c4ccco4)nn3C(C)C)cc2)CC1 789486083 MYSNMHWQYOBSJH-UHFFFAOYSA-N 449.555 4.215 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)c1 789728742 VWZDZJGCBGJBLI-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CSc1nnc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 799978235 ZNJHRPPENYXPOU-GFCCVEGCSA-N 426.011 4.149 10 20 IICD CNC(=O)c1ccc(OC)c(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800523892 XZZUXWFZJAHJOK-HNNXBMFYSA-N 444.963 4.266 10 20 IICD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 803576328 LXAYSIQDOZWAHA-IBGZPJMESA-N 434.536 4.387 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)C[C@@H](C)[S@]1=O 804436462 YBQOOKWBWQKPIM-DHPROJGJSA-N 444.622 4.097 10 20 IICD C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 806494691 UYFDSDPBJCNKMU-AMGIVPHBSA-N 448.611 4.042 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1Cc2ccccc2CO1 809261176 YPQLFBCBFVALLO-GZTJUZNOSA-N 430.576 4.204 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 812558606 JGVXRXJVUCHKOF-HSZRJFAPSA-N 444.579 4.248 10 20 IICD CN(C(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 814359802 SOWLYKCKGNUQPK-HXUWFJFHSA-N 432.524 4.213 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1ccc([N+](=O)[O-])cc1 913362813 YBABGWTWBPCCOS-WJDWOHSUSA-N 448.547 4.381 10 20 IICD CCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 916680780 OSNJKFACBJTPMV-HOTGVXAUSA-N 428.508 4.110 10 20 IICD O=C1/C(=C/c2cc(-c3ccccc3)cs2)SC(=S)N1CCCN1CCOCC1 917644031 RDDQQMIPDZTRRY-RGEXLXHISA-N 430.620 4.339 10 20 IICD CC(=O)CCc1ccc2oc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)c2c1 917706790 PSNWKYHWGFJUMS-UHFFFAOYSA-N 438.499 4.169 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(CCc2ccc(O)cc2)CC1 918213739 QLXWSCTVBKHZFM-UHFFFAOYSA-N 439.625 4.500 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)c1 1117656524 ISAFYBZFYLBOLY-UHFFFAOYSA-N 436.895 4.306 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1337785418 LYXWPOOAYLQSMV-NQIIRXRSSA-N 447.558 4.294 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2cccs2)C3)cc1 1845398368 FYJBNLBQGAFCDV-UHFFFAOYSA-N 433.577 4.215 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 10432938 JRFISAYMFGZLFO-UHFFFAOYSA-N 447.501 4.282 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccccc3OC(F)F)sc2n1 14152263 RNQGNZHIRKRAOI-LLVKDONJSA-N 435.452 4.281 10 20 IICD COc1ccc(N2CCN(C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 15670025 ZBAFPLJXTDKXSI-UHFFFAOYSA-N 440.931 4.070 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 303405769 SHXNQUWMIOAXKS-UHFFFAOYSA-N 436.600 4.101 10 20 IICD Cc1c(CNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)n(C)c2ccccc12 472223506 SZYJXRQORGAYJU-INIZCTEOSA-N 449.473 4.087 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)ccc21 482752820 NZONFECGECVSEJ-UHFFFAOYSA-N 431.540 4.032 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 725867917 AVIZTANKGNMEIQ-PZJWPPBQSA-N 433.474 4.240 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)cc1 726500067 OVEFWNQAGVNIPS-UHFFFAOYSA-N 428.554 4.096 10 20 IICD O=C(Nc1cccc(N2CCOC2=O)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726608771 BSOVANXJLYDYGE-UHFFFAOYSA-N 446.454 4.035 10 20 IICD O=C(Nc1ccc2oc(=O)ccc2c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726609342 SRSFZDNGWYNLLW-UHFFFAOYSA-N 429.423 4.185 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccncc3)SC2=S)cc1 726627283 MIRGZJBJIQCWDU-MOSHPQCFSA-N 447.541 4.165 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(Cl)c3-n3cccn3)CC2)cc1 726694450 CDMOOVVNEGEBKU-UHFFFAOYSA-N 425.920 4.325 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)cc1 728311948 DJBWKIUSWJTPOV-NDENLUEZSA-N 439.537 4.464 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 730167424 DXPIKWLNVMJWQQ-IBGZPJMESA-N 435.499 4.067 10 20 IICD COc1cc(OC)c(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1Cl 731844612 TYDCCBCIWKGRFT-UHFFFAOYSA-N 430.888 4.297 10 20 IICD Cc1noc(C)c1C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 737664450 FDRMHZLQUGYIEX-PBSOMRJOSA-N 449.623 4.082 10 20 IICD CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 741090351 GUMPQDXFMMFWDD-UHFFFAOYSA-N 446.517 4.355 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)ns3)cc2F)C[C@H](C)O1 742245903 PSLQWNDZNWDAEC-HOTGVXAUSA-N 425.529 4.493 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742754211 NVPZTRSWICSXHT-PGRDOPGGSA-N 441.572 4.211 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)c2c(c1)OCCO2 742799138 HEEFGLIAKVISTI-AWEZNQCLSA-N 438.858 4.111 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 743142343 ARPRKRZZIWVWSZ-MRXNPFEDSA-N 433.455 4.174 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Sc1ccccc1 743555245 SZBBQLIFEWSEPZ-KURKYZTESA-N 431.577 4.419 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 743808084 PLPNPJOPFJCRAG-UHFFFAOYSA-N 441.366 4.150 10 20 IICD COc1ccccc1CCNC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 749393737 JJVTUHGXMQPCER-UHFFFAOYSA-N 433.464 4.332 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Br)cc1 760469077 BTNVJXHGNYJZRU-GHTZIAJQSA-N 430.390 4.392 10 20 IICD Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c(N2CCOCC2)c1 766539983 NUIJATFVQUQYDE-LJQANCHMSA-N 429.992 4.172 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cccc12 766744186 SNNNCXDJLHEWSC-UHFFFAOYSA-N 443.481 4.085 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC1=S 767896277 NMNALAUXZXDQGE-PDGQHHTCSA-N 431.510 4.471 10 20 IICD Cc1ccccc1-c1cc(C(=O)NCCc2ccc(O)c(O)c2)c2cnn(C(C)C)c2n1 768903874 OCJGIFOJPQZNRY-UHFFFAOYSA-N 430.508 4.371 10 20 IICD C[C@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775256409 XGTZWLCBJGOGSZ-CUNXSJBXSA-N 446.591 4.341 10 20 IICD CC(C)(O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 776043454 YVIKZXHONKQKEK-UHFFFAOYSA-N 447.526 4.240 10 20 IICD CCc1noc(C2CCC(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)n1 779343565 YLLRNVVTRFDXKT-UHFFFAOYSA-N 438.494 4.303 10 20 IICD C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(N2CCOCC2)cc1 780472612 UVDIJOPEOBHQCS-QGZVFWFLSA-N 427.504 4.009 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 784106811 NRWANHJMCFTDMZ-UHFFFAOYSA-N 435.446 4.372 10 20 IICD CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788933211 UCBDGBZXJDJVRW-UHFFFAOYSA-N 427.548 4.229 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C 792475227 GRIUCAMIFDADLT-CQSZACIVSA-N 439.482 4.340 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1F 798107666 BWRULZLGELATRT-UHFFFAOYSA-N 435.547 4.416 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 801946942 QRFCJZACVXOESZ-DFBJGRDBSA-N 435.572 4.147 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C2CCOCC2)C1 802372996 XAIONGHTKMPSHY-QFIPXVFZSA-N 449.599 4.252 10 20 IICD Cc1cc(C(=O)Nc2cccc3c2OCC(=O)N3)c(C)n1-c1cccc(Br)c1 811597805 VMDZCHCWWGSTGR-UHFFFAOYSA-N 440.297 4.440 10 20 IICD C[C@H](NC[C@@H](O)COc1ccccc1Br)c1cccc(C(F)(F)F)c1O 815596422 TXDQRIFYHFXFHS-NWDGAFQWSA-N 434.252 4.264 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cccc(N(C)C)c1 819518785 FJQWVSURXJTJRR-UHFFFAOYSA-N 425.573 4.074 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCc1ccccc1 913361122 HDTDMZMUDJMGDO-YBEGLDIGSA-N 448.363 4.394 10 20 IICD Cc1oc2c(CN3CCN(C(=O)C(C)(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 914568909 JDTXZQFRVODPBD-UHFFFAOYSA-N 434.536 4.164 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916218117 JIOHNKLEVUBVSD-HSZRJFAPSA-N 448.567 4.145 10 20 IICD CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 916680498 KJOVHRLUIJMFPI-CALCHBBNSA-N 442.535 4.418 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1SCc1ccco1 917709532 QEOUHRRTRYSCHX-UHFFFAOYSA-N 426.513 4.478 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C2CC2)cc1 918455042 FPPRGEIVRWSALG-UHFFFAOYSA-N 427.548 4.473 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(CN4CCCC4=O)cc3)c2C)cc1 918672692 CDJPLZOTVRBTCU-UHFFFAOYSA-N 431.536 4.155 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(COc2ccccc2)c1 919792376 ZWFFEJVKIYPKRT-UHFFFAOYSA-N 431.536 4.102 10 20 IICD CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1320156961 RFVQRQYXZKJJQQ-IBGZPJMESA-N 432.407 4.390 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@@H]2CCCC[C@@H]2C1 1321732969 PVPFRXMPRMTFKC-FUHWJXTLSA-N 425.495 4.264 10 20 IICD Cc1csc(-c2ccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)n1 726078831 LNCKIJDZOKOPTL-IBGZPJMESA-N 449.580 4.142 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1cccc(Cl)c1Cl 727176310 JIMDYKNPUIIPSM-VGOFMYFVSA-N 440.377 4.087 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C(=O)OC(C)C)ccc3Cl)CC2)cc1 727223244 IUNMTTIRVWQKOU-UHFFFAOYSA-N 431.920 4.268 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccc(C)s3)C(C)C)cc2F)CC1 730133256 NRZSHJRVEVJTRY-UHFFFAOYSA-N 432.609 4.458 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H](c3ccccc3)C(C)C)CC2)cc1 733038952 RVZDUZRVPLKRGD-VWLOTQADSA-N 438.616 4.246 10 20 IICD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCCCSc2nccs2)c1 733973420 IZCUKLHTYANKBM-UHFFFAOYSA-N 433.628 4.040 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 735656657 HRLFCNHJZCCODK-UHFFFAOYSA-N 434.989 4.300 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 738956188 VCDBTFLMWNQEKC-UHFFFAOYSA-N 426.494 4.252 10 20 IICD O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 741136878 JOORODACCFOEOM-UHFFFAOYSA-N 441.943 4.282 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 743181880 VSCKZXHODALIMC-UHFFFAOYSA-N 433.574 4.222 10 20 IICD COc1cccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1O 743331721 BYGSZKFAIFREIM-RCZVLFRGSA-N 444.531 4.197 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)COc1cccc(F)c1 745720777 NCKUITIUCJUNNW-CYBMUJFWSA-N 425.298 4.293 10 20 IICD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 747544764 YPEMZFWCBOBWJS-TZIWHRDSSA-N 443.613 4.057 10 20 IICD O=C(CCN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Br)cc1 749299694 XFFXHWZERAZRGN-LJQANCHMSA-N 433.346 4.165 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)CN3CCN(C4CCN(C(C)C)CC4)CC3)c2C)c1 749459712 GRWFPQSANDJPPI-UHFFFAOYSA-N 436.644 4.076 10 20 IICD COCCCOc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 751010269 JKAWNWIQDKDPLA-QZTJIDSGSA-N 445.535 4.176 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCCOc3ccc(Br)cc3)cs2)cc1 751930284 HGVZPNZDRNITAT-UHFFFAOYSA-N 433.327 4.314 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 753640905 TZBBJQJBNJLLAH-CYBMUJFWSA-N 443.297 4.409 10 20 IICD CN(C)c1ccc(CNC(=O)c2cc(Br)c(O)c(Br)c2)cc1F 754411795 FRHADJKMIBFFDT-UHFFFAOYSA-N 446.114 4.052 10 20 IICD Clc1cccc(-n2cc(CNCc3ccc(N4CCSCC4)cc3)nn2)c1Cl 754823812 NMBCMTYPSKAGEB-UHFFFAOYSA-N 434.396 4.417 10 20 IICD O=C1/C(=C\c2cn(-c3ccc(Cl)cc3Cl)nn2)SC(=S)N1c1cccnc1 755571422 AYSLKNTYAAFGBY-VIZOYTHASA-N 434.333 4.375 10 20 IICD COc1cc(C)ccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 757729752 WUEBSKSCGQZVIX-LDADJPATSA-N 446.619 4.363 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 758423781 RNFUZMBXDLTJST-UHFFFAOYSA-N 436.531 4.076 10 20 IICD COc1cc(N2CCN(C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)cc(OC)c1OC 759224086 ZAEVNAJDYQMMNG-UHFFFAOYSA-N 444.959 4.037 10 20 IICD C[C@@H](N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(N2CCOCC2)c(F)c1 762780655 PCFFUFDCYCOVBW-WAIKUNEKSA-N 428.939 4.489 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)NCc2cccc(Br)c2O)C[C@H](C)O1 765254795 ZFIGHFGILVPSLH-KBPBESRZSA-N 434.334 4.090 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(OCCN2CCCCC2)cc1 765316451 LMQQRNLAOGLPGO-UHFFFAOYSA-N 448.361 4.341 10 20 IICD CCS[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 765767717 NHKGMNNGEKZRLT-QGZVFWFLSA-N 431.606 4.462 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1Cc2cccc(Br)c2C1 770344426 KCJDOQJHZYLKAX-UHFFFAOYSA-N 432.387 4.228 10 20 IICD C[C@H](NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1)c1ccc(N2CCOCC2)cc1 770346570 SGLLSQQJJNIWJO-KRWDZBQOSA-N 438.959 4.418 10 20 IICD O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccc(N2CCSCC2)cc1 772236875 MQRQZUJNLISLHX-UHFFFAOYSA-N 427.570 4.361 10 20 IICD Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 772764917 IOGNSAQDXCRGJP-JYLQPTBZSA-N 448.431 4.251 10 20 IICD Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 772764921 IOGNSAQDXCRGJP-SRLUVNLFSA-N 448.431 4.251 10 20 IICD O=C(NCCc1ccccc1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 775191692 IYYOMLOKWUPESE-UHFFFAOYSA-N 433.527 4.247 10 20 IICD COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(F)(F)F)cc1 775992479 SOMUTHJAPCYRPB-FOIQADDNSA-N 437.462 4.196 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl 777709900 SKTNRGSGWZYSFK-UHFFFAOYSA-N 439.947 4.335 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 782756908 VDDLJVUKHKGMNN-UHFFFAOYSA-N 440.569 4.391 10 20 IICD Cc1cccc(C)c1NC(=O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 782921093 OJRCSCGRQJYYLN-UHFFFAOYSA-N 429.480 4.412 10 20 IICD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783315615 ZYWLVTLRIJKPSR-UHFFFAOYSA-N 430.552 4.499 10 20 IICD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783486203 MPMCYPAHYSOBOS-LJQANCHMSA-N 430.552 4.372 10 20 IICD CN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCN(c2ccccc2)C1=O 784509373 ZFFAMKFUOGGQSY-JOCHJYFZSA-N 441.491 4.304 10 20 IICD O=C(N[C@H]1CCOc2c(F)cccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 785587134 DNWAMABXDSNLLJ-KUHUBIRLSA-N 435.446 4.219 10 20 IICD COc1cccc(/C=C2\SC(=S)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)n1 790108854 WUFSWYHHUJYAPU-ZROIWOOFSA-N 426.441 4.390 10 20 IICD Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(Br)c1 791071904 DBOMHVCHJZDGHK-MRXNPFEDSA-N 447.373 4.267 10 20 IICD COc1ncc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1Cl 793519827 DDNVGBUAWCHXEV-ZDUSSCGKSA-N 429.870 4.450 10 20 IICD CC(C)c1nc(CCNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cs1 803677160 HGGRZQPXOXUFJQ-UHFFFAOYSA-N 442.629 4.011 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccoc2CC(N)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 803939168 NHVJECURBOIRKM-UHFFFAOYSA-N 449.290 4.061 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1nc2ccccc2cc1Br 808386009 VEABWYNZJFDGAO-UHFFFAOYSA-N 442.382 4.481 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4cccn4C)n3Cc3ccccc3)CC2)cc1 812050621 SVUUXLMQBYCELD-UHFFFAOYSA-N 442.567 4.057 10 20 IICD C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1OCCc2sccc21 815834897 DYUPSGQDXALJLT-AVBTWRTFSA-N 434.989 4.138 10 20 IICD CCNC(=O)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 843352615 OUILHQMCSRTKER-UHFFFAOYSA-N 428.945 4.190 10 20 IICD C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 857758463 HXYOUUSANUWYHW-FQEVSTJZSA-N 434.584 4.263 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c12 917710669 CNQUTVJUBMAKHV-ZIAGYGMSSA-N 438.503 4.091 10 20 IICD Cc1cc(C(=O)CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)s1 918139863 GOHWZHGRUDNOKO-GJZGRUSLSA-N 432.561 4.397 10 20 IICD Cc1ccccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918214345 RPBYPSDCJFUVES-QGZVFWFLSA-N 435.490 4.281 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2cccc(Cl)c2)CCOCC1 919845981 IVHQSZMPBUFYGD-UHFFFAOYSA-N 431.001 4.258 10 20 IICD CC(C)Oc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920179979 HCQKKJYWQFPJQT-UHFFFAOYSA-N 435.547 4.019 10 20 IICD Cc1nn2cccnc2c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 920535080 CAURNRSRTLCNJU-UHFFFAOYSA-N 440.862 4.277 10 20 IICD CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920881270 SRGCVPVSXBYXOF-HNNXBMFYSA-N 438.553 4.095 10 20 IICD COc1cc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCCO 1321887819 GHBHRKLZQZYNCY-UHFFFAOYSA-N 428.916 4.057 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N2CCN(c3ccc(OCC)cc3)CC2)c1 1341406785 LWLOSUFTGLYMJL-UHFFFAOYSA-N 437.584 4.310 10 20 IICD Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790776705 LDEDWTIFRBXBQA-UHFFFAOYSA-N 439.899 4.449 10 20 IICD Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800713303 KOPLNIUGYQLIBR-MUJYYYPQSA-N 449.334 4.279 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1)c1ccccc1 109859507 QFKDEZMSZRDVJE-HSZRJFAPSA-N 444.579 4.404 10 20 IICD O=C(c1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)c1)N1CCCCC1 301111224 WCVSXSCWLDRFRY-UHFFFAOYSA-N 446.954 4.073 10 20 IICD CN(C[C@H]1OCCc2ccccc21)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726719687 SAHDEPSRDJBCBN-JOCHJYFZSA-N 445.510 4.212 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)C(=O)N1CCc2sccc2C1 727226087 ZAOSBUYIRMYOBH-NRFANRHFSA-N 442.629 4.147 10 20 IICD COc1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1F 728399032 JLAKERGNMHYABY-UHFFFAOYSA-N 425.504 4.448 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(-c2ccc3c(c2)OCO3)s1 728517138 ZGZJLDLRESTTKF-UHFFFAOYSA-N 439.562 4.022 10 20 IICD COc1cccc(CNC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c1O 729859710 XCFIICZGBUBIIW-UHFFFAOYSA-N 433.504 4.431 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1Oc1cccc(F)c1 731120467 ZURGWKDSUXSSQU-UHFFFAOYSA-N 435.499 4.454 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1F 731364268 VXUMERGQGMFSKR-IBGZPJMESA-N 427.442 4.224 10 20 IICD COc1ccc(O)c(CNC(=O)CCc2ncc(-c3ccccc3Br)o2)c1 734016777 FFYMCCHHEPSNIL-UHFFFAOYSA-N 431.286 4.067 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccccc3S(=O)(=O)C(C)C)cc2)CC1 736994451 SEIDBCQDOPCULV-UHFFFAOYSA-N 429.586 4.427 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4ccoc4)n3)cc2F)C[C@@H](C)O1 737511687 JTMLPNOQPVUNCO-HUUCEWRRSA-N 429.517 4.015 10 20 IICD Cc1nc(C)c(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 742088529 NMVFFEWXRQJXAJ-ZROIWOOFSA-N 437.637 4.119 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cccc(F)c3C)sc2C)s1 743047029 VLSAOYVDBIAADL-UHFFFAOYSA-N 439.559 4.064 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1NS(C)(=O)=O 743151299 LQCFVGCUSFJMGB-UHFFFAOYSA-N 430.574 4.021 10 20 IICD Cc1cc(C)c(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)c(C)c1 743432137 DCPMIZIUFLISAS-OAQYLSRUSA-N 432.520 4.492 10 20 IICD Cc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 743930805 RMQGACZODYFGLV-QFIPXVFZSA-N 441.491 4.271 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)n2)cc1C 746802619 RLQZWAKTADTENS-UHFFFAOYSA-N 435.549 4.266 10 20 IICD COc1cc(CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C2CC2)ccc1OC(F)F 746978513 URZJVQFVHQGJHV-UHFFFAOYSA-N 437.462 4.376 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3c[nH]c4cc(F)ccc34)cc2F)C[C@@H](C)O1 747857833 YFHBISVZBMSEHY-HZPDHXFCSA-N 442.510 4.102 10 20 IICD C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 749222206 LEEMKJZHNGSSNS-OAQYLSRUSA-N 435.616 4.439 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)nc(O)n2C1CCCC1 751337284 QTQBFOUTXCGHJR-UHFFFAOYSA-N 436.581 4.340 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2)cc1F 753886094 OPWCONVNYVWZOW-UHFFFAOYSA-N 438.381 4.348 10 20 IICD CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 754547076 DHTFAOVJHTYKSD-JOCHJYFZSA-N 446.890 4.321 10 20 IICD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C 755986469 SVTYVUWXTGHDPL-UHFFFAOYSA-N 431.432 4.430 10 20 IICD COc1ccc(N[C@H](C)c2ccc(Br)cc2O)cc1-n1nnnc1C1CC1 757613715 NWFLQOKJKITETL-LLVKDONJSA-N 430.306 4.190 10 20 IICD C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)cc(Cl)c1O 757640124 ROKWBCNDLMAYJF-GUYCJALGSA-N 439.781 4.226 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)cc2)CC1 766148728 OTLYZVHKPJKNER-UHFFFAOYSA-N 438.572 4.273 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cccc2nc(O)oc12 770881085 LFIPIWOQKAJMLH-UHFFFAOYSA-N 442.519 4.150 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771060076 TVNWFTDDCWIIAN-QAPCUYQASA-N 432.923 4.174 10 20 IICD CN1CCN(c2ccc(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cc2)CC1 771855636 XAUJIKBUGQSUAS-UHFFFAOYSA-N 441.641 4.298 10 20 IICD COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773761293 AIXBNQKWAJTCJB-CQSZACIVSA-N 441.505 4.131 10 20 IICD COc1ccc(-c2ccncc2)cc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O 773899475 OIGBKGLMQVDIBH-ZHZULCJRSA-N 425.579 4.053 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Nc1c(F)cccc1F 779160330 HNJYYEZNJUABIM-UHFFFAOYSA-N 448.473 4.340 10 20 IICD COC(=O)[C@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1F 779177498 CENLEGNWHHKSTR-CQSZACIVSA-N 447.098 4.060 10 20 IICD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 780365097 HLQLCLRJLGBWTR-UHFFFAOYSA-N 444.538 4.153 10 20 IICD COC(=O)c1csc(-c2cccc(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)n1 790503445 UTPRLSCLFDCVGS-HNNXBMFYSA-N 438.553 4.223 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSc1cccc(OC)c1 791247490 FWVKDDNPRKTDRA-UHFFFAOYSA-N 430.570 4.176 10 20 IICD CNC(=O)COc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)c1 797681226 ZEOTVQPLPRCVCU-UHFFFAOYSA-N 425.529 4.192 10 20 IICD CSc1cccc(F)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 804969288 OTAJEQVYMRCDHH-GASCZTMLSA-N 435.540 4.300 10 20 IICD Cc1cccc([C@@H](C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 807467626 WDLKAQORSIJRKG-FQEVSTJZSA-N 433.552 4.103 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccncc1OCCC(C)(C)C 807610792 JNLIXAXDPJCRKF-UHFFFAOYSA-N 440.588 4.075 10 20 IICD CN(Cc1ccccc1O)c1nnc(COc2ccc(OCc3ccccc3)cc2)n1C 809865608 RSOXQEWEAOAVDT-UHFFFAOYSA-N 430.508 4.315 10 20 IICD CC(C)(C)OC(=O)NC[C@@](C)(O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 809952947 HHIGUIKBLHHVSX-FDDCHVKYSA-N 447.601 4.097 10 20 IICD CC[C@@H](NC[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1cc(Br)ccc1O 810255357 JWBSIBFRJYZOTD-DYESRHJHSA-N 438.362 4.206 10 20 IICD Cc1cc(C(=O)Nc2cccc3c2OCC(=O)N3)c(C)n1-c1ccc(Br)cc1 811597286 ILUVFEKVHUWAIF-UHFFFAOYSA-N 440.297 4.440 10 20 IICD Cn1cc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c(C(F)F)n1 812219033 AISPSKCGZSKRDM-GZTJUZNOSA-N 448.564 4.224 10 20 IICD CCCCc1noc([C@@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1 913224502 ZANFFJLTDKHSGR-GFCCVEGCSA-N 449.419 4.014 10 20 IICD CN(C)c1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914725525 FNPJCDYXYZQLFD-LGMDPLHJSA-N 431.608 4.434 10 20 IICD C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 916836390 AWNZRRJWLJZOEZ-OAHLLOKOSA-N 439.453 4.188 10 20 IICD Cc1ccccc1[C@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917069661 DTGNLFHUYDVPAL-JXALWOEJSA-N 439.575 4.201 10 20 IICD COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 917075015 OLJGNQABLHVEKS-XMMPIXPASA-N 439.600 4.344 10 20 IICD Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)c1C 917607358 SMZDULOEMWULRP-QGOAFFKASA-N 436.537 4.464 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)c2C)cc1 918612709 NRWRIXUSBUODPL-UHFFFAOYSA-N 429.524 4.230 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCCC2 1317882595 MQKBWKMQZIEACX-MRXNPFEDSA-N 426.538 4.283 10 20 IICD Cc1cc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c(C)n1-c1cccc(C(C)C)c1 111186401 VJUZZTHRBHQXPB-UHFFFAOYSA-N 446.551 4.075 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3cc(F)ccc3F)cc2F)CC1 303353178 YTJMKRWRBTZLLN-INIZCTEOSA-N 434.506 4.148 10 20 IICD Cc1nnc(-c2ccccc2NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)o1 435543777 XRUKQHMAPSCLOC-UHFFFAOYSA-N 429.524 4.405 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 726621213 QPLRBNROQUHAGD-RTWAWAEBSA-N 444.373 4.236 10 20 IICD O=C(COC(=O)c1ccc(N2CCCC2)nn1)Nc1ccc(N=Nc2ccccc2)cc1 726885234 FENXPTOXWJDQQD-UHFFFAOYSA-N 430.468 4.288 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2C2OCCO2)c(C)n1-c1ccccc1Br 726945753 UBCYJQNSKVVUQA-IBGZPJMESA-N 433.346 4.224 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 728982056 JCXWDCNPGJBIIG-QGZVFWFLSA-N 439.533 4.174 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3c(F)cccc3Cl)cc2F)CC1 730134804 LQESANWJMLGMSQ-UHFFFAOYSA-N 436.934 4.102 10 20 IICD C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742597128 NLGJZSWTFXQYEQ-IERDGZPVSA-N 429.536 4.410 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)CC2)cc1 743228494 RQVZSUMUQMAFOX-UHFFFAOYSA-N 439.556 4.324 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 743557493 MITUAIGWYMKNJD-GDBMZVCRSA-N 434.443 4.225 10 20 IICD COc1cccc(CN(CC(C)C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 746215602 LDTULOFTMRVWOP-UHFFFAOYSA-N 429.536 4.039 10 20 IICD CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 747994820 GXPHKQMJSRKVGU-SFHVURJKSA-N 435.528 4.195 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1Cl 748092222 YZNAJAHGHRDOHO-UHFFFAOYSA-N 449.941 4.158 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(Cl)nc1Cl 751468860 WZIMTMZAWLFZOH-UHFFFAOYSA-N 440.146 4.067 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1O 756660099 RZXPAXBSHIRUEE-CQSZACIVSA-N 445.472 4.091 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccccc3Cn3cncn3)n2)c(C)c1 758384848 OQKOIOBTGHLWBR-UHFFFAOYSA-N 439.566 4.176 10 20 IICD Cc1ccc(C(C)(C)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 759306757 LHEISRJJFCLJRF-SFQUDFHCSA-N 445.635 4.484 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Br)c(O)c1 764414280 OJMNBPLTNNKZNO-ZDUSSCGKSA-N 441.272 4.155 10 20 IICD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 766243111 ZHCYXUXBUXMPOX-IYBDPMFKSA-N 430.480 4.286 10 20 IICD CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769919035 CQKFFJCEZQAGQL-GOSISDBHSA-N 444.578 4.348 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(c1)OC1(CCCCC1)O2 771835528 ZYSMRQKEGRPUAT-UHFFFAOYSA-N 428.872 4.446 10 20 IICD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 773845456 GUIRUPMTOVRWEF-SFHVURJKSA-N 447.583 4.360 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)c1ccc(N(C)C)cc1 773847087 NTLCCLIBZSZRKC-CQSZACIVSA-N 440.341 4.484 10 20 IICD COc1c(Br)cccc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O 773901895 WOUAPYZDZXVBDU-ZROIWOOFSA-N 443.432 4.247 10 20 IICD C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(N(C)C)cc1 773994825 OVTMXSLCIHWJLF-INIZCTEOSA-N 443.594 4.035 10 20 IICD CC[C@@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1cc(Cl)ccc1O 775518975 KJWJGVAPEHUQJU-HXUWFJFHSA-N 446.975 4.469 10 20 IICD CCOC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(Br)c1 779178432 OTBYKMUZXAIQBJ-LJQANCHMSA-N 439.325 4.057 10 20 IICD Cc1cc(Br)cc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1O 779616346 QGDWTBJLUBNRGA-QGZVFWFLSA-N 430.302 4.087 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)ncc1Cl 780383222 VRJWLQLFVZMGGY-UHFFFAOYSA-N 434.245 4.174 10 20 IICD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 784105624 FXFXLHUJXZNEFU-UHFFFAOYSA-N 438.528 4.023 10 20 IICD Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1Cc1ccc(F)cc1F 790771037 AANUTWCTZOMBCV-UHFFFAOYSA-N 438.434 4.054 10 20 IICD Cc1nn(CCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(C)c1[N+](=O)[O-] 800047784 PNSQUPPNXMFOOP-AWEZNQCLSA-N 433.940 4.004 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 802549564 QKHHJUPNKZCDSC-MBSDFSHPSA-N 435.572 4.003 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(OC)c(OC)c1 804969854 SMNPLWLMJIFOKG-FQEVSTJZSA-N 429.586 4.208 10 20 IICD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 813044362 ZKDWYSUDWNRKDW-UHFFFAOYSA-N 434.809 4.212 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 822079791 BGJFNNDLDSZJEP-UHFFFAOYSA-N 438.597 4.323 10 20 IICD CCN1CCN(C(=O)c2ccc(NCc3cc(OC)cc(C(C)(C)C)c3O)cc2)CC1 864002441 AJQISAPNCLCLNO-UHFFFAOYSA-N 425.573 4.088 10 20 IICD N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(N3CCCCC3)c(Br)c2)N1 877843576 SLSFCOKAGAMGFO-SFHVURJKSA-N 425.334 4.286 10 20 IICD CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916456810 TVMDURYUGGGUHE-UHFFFAOYSA-N 449.517 4.314 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C[C@@H](C)O1 916694471 CCAMQYLNJNVHGC-ZVDOUQERSA-N 439.556 4.219 10 20 IICD Cc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)c(C)n1-c1cccc(Br)c1 918038529 VNFZCSDIMHIXKO-UHFFFAOYSA-N 437.301 4.085 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)n1-c1nccs1 918141367 VRLGNFOSLFCIKE-IYBDPMFKSA-N 442.560 4.233 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H](C)c3cccc(Cl)c3)CC2)cc1 918198963 WTZNGBVZBLQBLB-IBGZPJMESA-N 445.007 4.263 10 20 IICD C[C@@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1ccc(N2CCOCC2)cc1 920886399 JSWCOSCXFDMDQS-CYBMUJFWSA-N 446.320 4.397 10 20 IICD CN1CCN(c2ccc(CNCc3cc4cc(Br)ccc4[nH]3)cc2F)CC1 1320584386 MMHWJIKKGNQNPK-UHFFFAOYSA-N 431.353 4.111 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2ccccc2)C3)cc1 1845398162 GOISVEWINZKAMF-UHFFFAOYSA-N 427.548 4.154 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCc2ccccc2C1 11644069 GEOWSTDLNGPBDT-JOCHJYFZSA-N 433.577 4.406 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 60349141 CPJOSTGKMTZGLU-UHFFFAOYSA-N 442.512 4.385 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 725863999 LGOJFQRZMSBRKE-UHFFFAOYSA-N 426.536 4.232 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(-c2c(F)cccc2F)n1 726158205 ZKPMIKYZWBYEIK-UHFFFAOYSA-N 429.492 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2cccc(C(F)(F)F)c2)CC1 727602103 ZJBHPGLEZJMNKG-UHFFFAOYSA-N 437.437 4.170 10 20 IICD O=C(Nc1nnc(Cc2cccc(F)c2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 730668403 GULQHXQWRLTJHF-SFHVURJKSA-N 442.516 4.187 10 20 IICD O=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731859598 XCDMGOXWUPQBHW-FQEVSTJZSA-N 439.487 4.112 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)ccc1[N+](=O)[O-] 734740577 UCZYWSSXZWNDNR-UHFFFAOYSA-N 441.494 4.013 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2c(c1)C[C@@H](C)O2 735330542 QULXPUFRTOEEQU-SUDUWZNWSA-N 427.503 4.153 10 20 IICD C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 740908393 ZEUVKAZJAFNACM-NRFANRHFSA-N 438.641 4.046 10 20 IICD Cc1ccc(OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 742752195 FHNQBNFNWBAQPD-JOCHJYFZSA-N 441.572 4.130 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1)C1CCCCC1 743421512 JXSHJKUTFKCEQE-UHFFFAOYSA-N 444.919 4.272 10 20 IICD CCN1CCN(C(=O)c2ccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)CC1 743999896 OUCPVFKQLISNBI-UHFFFAOYSA-N 448.542 4.263 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)sc2C)cc1 751590961 WDAUJDUMMQFWFU-QGZVFWFLSA-N 432.571 4.030 10 20 IICD CCN(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H](C)c1ccc(F)cc1 751932783 XNADJXHHSIIMQG-OAHLLOKOSA-N 441.528 4.222 10 20 IICD Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1S(=O)(=O)NC1CCCC1 752293024 RXILYNSKZZGENR-UHFFFAOYSA-N 427.570 4.068 10 20 IICD COc1ccc(N2CCN([C@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1F 753856601 HWQCGENABKFVLD-QGZVFWFLSA-N 446.592 4.167 10 20 IICD CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 759728763 ZSHHYZPMKFGNFY-UHFFFAOYSA-N 439.503 4.480 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)nc1-c1ccc(F)cc1 760304909 MAKSRGOLSVLBBE-UHFFFAOYSA-N 431.514 4.288 10 20 IICD CCOc1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(O)c1 761988310 DJHABCHNCJZQHF-UHFFFAOYSA-N 430.501 4.021 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3c[nH]c4cc(Br)ccc34)CC2)cc1 764955927 OYZTWJZVMGXRAK-UHFFFAOYSA-N 442.357 4.220 10 20 IICD C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1ccc(N2CCOCC2)c(F)c1 765331625 MWHYJHZOYIXFFP-CYBMUJFWSA-N 437.309 4.004 10 20 IICD CCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1S(C)(=O)=O 765606753 YBEZMJBMCVXUGM-UHFFFAOYSA-N 440.565 4.154 10 20 IICD CC1CCN(c2ccc(CN[C@H](C)c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1 765872808 LQSOIVZOVZXAJT-HXUWFJFHSA-N 427.614 4.314 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 769532767 SLDFJLYOEJXXNW-SCLBCKFNSA-N 425.451 4.083 10 20 IICD Cc1cc(C)c2c(c1)N(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CCC2 769758514 HFPDBECLMKKIKJ-UHFFFAOYSA-N 442.562 4.464 10 20 IICD CCCN1CCN(c2ccc(NCc3ccc([N+](=O)[O-])c(OC)c3O)cc2Cl)CC1 774927180 LXAHQRDHASIYKQ-UHFFFAOYSA-N 434.924 4.107 10 20 IICD Oc1c(Br)cccc1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 775146194 MHXPRLSVVVPCHD-UHFFFAOYSA-N 428.117 4.332 10 20 IICD C[C@@H]1CCN(C(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2S1 775258595 GCHCOKRZTLYXOV-RTBURBONSA-N 425.598 4.091 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 776009550 JWRODSXFQQVFKT-UUOWRZLLSA-N 425.550 4.093 10 20 IICD CC1(C)C[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C(C)(C)O1 778132799 MUHPCGIMWCDWDV-ATGUSINASA-N 438.640 4.192 10 20 IICD CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 778272002 LOAILIAASOKTHK-QGZVFWFLSA-N 441.483 4.390 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O 779010514 DBLUPUKRTGPZEM-KGLIPLIRSA-N 441.391 4.125 10 20 IICD Cc1cc(Br)cn2c(/C=C3\SC(=S)N(c4cccnc4)C3=O)cnc12 783700132 JPFZXQRMSVTVEV-NSIKDUERSA-N 431.340 4.206 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1 784106254 IQRLWLLSPLMDRL-UHFFFAOYSA-N 437.931 4.270 10 20 IICD CS[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)C 784214568 MLYRSXUNYHHSQF-KRWDZBQOSA-N 433.540 4.119 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCCCn3cc(Br)cn3)cc2)CC1 792073230 BBENOSYIFFTPOT-UHFFFAOYSA-N 448.409 4.162 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)C2CC2)cc1 803169995 SMNTZWHWMGBVDO-UHFFFAOYSA-N 447.501 4.011 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 804681833 FQBZAEATMDUFMC-HSZRJFAPSA-N 437.971 4.380 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O 806168819 BSVPFBLCUCACAJ-GXTWGEPZSA-N 437.300 4.447 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)C(C)=O)cc1Cl 808010449 YLDWHHUELHBUEL-OQLLNIDSSA-N 434.926 4.045 10 20 IICD Fc1cc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1N1CCOCC1 809752037 NAUQIWYFTVYOCR-FQEVSTJZSA-N 427.568 4.208 10 20 IICD COc1ccc(N2CCCN(c3nnc(COCc4ccccc4)n3CC(C)C)CC2)cc1 812242387 VPAUYXWIKIAZHB-UHFFFAOYSA-N 449.599 4.376 10 20 IICD COc1cccc(Oc2ccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)cn2)c1 916403369 VTBZEHQCHUTHQZ-UHFFFAOYSA-N 432.524 4.482 10 20 IICD COc1ccc(N2CCCN(CN3C(=O)C(=O)c4cc(-c5ccccc5)ccc43)CC2)cc1 917484370 COXOVMKLDAMKJF-UHFFFAOYSA-N 441.531 4.061 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccccc3Cl)cc2)C1 918123464 XHPJYLMHNSXJRY-AVRDEDQJSA-N 440.975 4.088 10 20 IICD Cc1cc(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1-c1ccc(Cl)cc1 918595374 OZUFPKPNQKPRRW-LJQANCHMSA-N 427.976 4.055 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1O 919749145 KPFQTYBFIPAWTF-UHFFFAOYSA-N 443.550 4.107 10 20 IICD Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)s2)o1 919970203 TXSWCUJPEHFWDQ-UHFFFAOYSA-N 425.554 4.159 10 20 IICD C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1 920181802 BMASDLMNSYWFHE-KRWDZBQOSA-N 449.517 4.421 10 20 IICD Cc1cccc(N2N=C(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)CCC2=O)c1 1322469192 OCSSTOBGOFQTCA-UHFFFAOYSA-N 446.473 4.135 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)cc1 1335137374 ZJOGZHTZYGAGJH-UHFFFAOYSA-N 437.565 4.392 10 20 IICD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(O)c(O)c4O)CCC3)cc2)o1 1786495330 SFNBBSOUAOBPNO-LFYBBSHMSA-N 448.475 4.166 10 20 IICD Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1-c1ccc(C(C)C)cc1 23523813 PYTIFRPOZMNPEM-UHFFFAOYSA-N 431.496 4.003 10 20 IICD Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1Br 161673055 QGDLGWUDEILEPS-UHFFFAOYSA-N 435.137 4.335 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O 216483972 NXOIGEUEQYHVEN-LJQANCHMSA-N 431.536 4.296 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)C1 435824116 GPAABNOYASWRQZ-KDYSTLNUSA-N 431.580 4.302 10 20 IICD C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 726243237 IEMCGYYOXKWSMU-IAGOWNOFSA-N 446.389 4.277 10 20 IICD C[C@@H]1CCCN(CCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726610870 KSLIZEQQBTXCQB-GOSISDBHSA-N 438.563 4.068 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cccc(Cl)c3)sc2C)s1 727248844 FZKCCHSHBHHWGK-UHFFFAOYSA-N 441.987 4.270 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4c(Br)cccc43)CC2)cc1 727942756 XBUBTRLHNBSDLN-OAQYLSRUSA-N 444.373 4.413 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3N3CCCCC3)cc2F)CC1 730134214 SMYFWDQGPBJTBM-UHFFFAOYSA-N 439.579 4.280 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)cc1F 731346471 KBZJUVYZBDUUMC-NRFANRHFSA-N 425.548 4.149 10 20 IICD CCN(Cc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1)C(=O)OC(C)(C)C 737005101 VOEBHGQWKBAUOK-UHFFFAOYSA-N 429.517 4.480 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1cc(F)ccc1F 741086690 KZAWKZAOFYXNMB-OAQYLSRUSA-N 434.506 4.196 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CCc2cc(F)ccc2F)NC(=O)OC(C)(C)C)cc1 742750447 NWEATCGQEYADIS-NRFANRHFSA-N 447.526 4.346 10 20 IICD Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 744473733 KBFUULPUFPWWPP-MRXNPFEDSA-N 427.456 4.263 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(O)nc3c(Br)cccc23)cc1 749907499 CNJBWGUKJARCMN-UHFFFAOYSA-N 428.330 4.479 10 20 IICD O=C(CCOc1ccccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 752152110 VUCPIPSSKSPMFQ-KRWDZBQOSA-N 434.330 4.131 10 20 IICD CC1CCN(C2CCC(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2)CC1 752706256 FWNKULHIZSORLT-XPPIMPSXSA-N 429.605 4.126 10 20 IICD COC(=O)c1cccc(-c2nc(CN3CCN(c4ccc(OC)c(F)c4)CC3)cs2)c1 753862386 YUJVEIIPQXXPEF-UHFFFAOYSA-N 441.528 4.067 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 756188584 DAPPEWXCDQFEGP-UHFFFAOYSA-N 434.565 4.478 10 20 IICD CCN(CC)C(=O)CCCN[C@H](C)c1cc(Br)cc(Br)c1O 756417112 PNYIUNGCGMDTIK-LLVKDONJSA-N 436.188 4.216 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3C[C@@H](C)c4c(F)ccc(O)c43)CC2)cc1 756498164 WBMQRLGUNAKFKS-QRWLVFNGSA-N 432.561 4.132 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)c(F)cc1F 764526805 FEFJVVIBCBRHPK-UHFFFAOYSA-N 447.492 4.087 10 20 IICD O=C(NCc1cc(F)ccc1Br)NCc1cccc(Br)c1O 764766224 YPZSQVIYVZKODQ-UHFFFAOYSA-N 432.087 4.056 10 20 IICD CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 765266518 NHBCKQZAYGKYNS-SFHVURJKSA-N 433.593 4.354 10 20 IICD C[C@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(Br)c21 765980094 OIFDCLWVYFFCRQ-YWZLYKJASA-N 449.414 4.022 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cnccn4)n3C)c2C)cc1 768407002 NCQWNFYXJPJJDO-UHFFFAOYSA-N 448.552 4.053 10 20 IICD CCOc1ccc(C2=CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 768712855 CHLMUWDXIJNKSQ-HXUWFJFHSA-N 435.568 4.482 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2ccc(O)cc2C1 769398653 MFBZVCMOHZXTAW-LDADJPATSA-N 444.603 4.020 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccc(N(C)C)cc1 773849550 VXGJHXNCSGKMLP-QGZVFWFLSA-N 435.499 4.287 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(-c4ccccc4OC)cc3)nc12 775461825 YNFJQAXKBGVXJH-INIZCTEOSA-N 446.507 4.138 10 20 IICD CC[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cc(Br)ccc1O 775508326 BKWZJKIWKHUVHZ-MJGOQNOKSA-N 430.346 4.034 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(C(=O)OC(C)(C)C)c3)CC2)cc1 775767672 FQFUYFIVRGEWDQ-UHFFFAOYSA-N 439.556 4.119 10 20 IICD CCOC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccc(OC)c(Br)c1 779177409 AFEGWBINHFZVKR-MRXNPFEDSA-N 428.710 4.211 10 20 IICD COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3Cl)C2=O)cc1 782190351 ZLKBJFSLXUODMB-MFOYZWKCSA-N 449.937 4.306 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C2CCCCC2)cc1 784059096 FIMGZWACVPLBIE-UHFFFAOYSA-N 442.510 4.452 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccnc2OCc2ccccc2)cc1 784109521 VFNIGZBLZJMYFV-UHFFFAOYSA-N 444.535 4.405 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](c1ccccc1)c1nc[nH]n1 785320238 ZPVMPNZZDQNRFD-FQEVSTJZSA-N 425.452 4.064 10 20 IICD COc1cc(N2CCN(C(=O)C[C@H]3C[C@@H](C)c4c(C)cccc43)CC2)cc(OC)c1OC 792607830 BVDHLRNKGSRCID-RTBURBONSA-N 438.568 4.351 10 20 IICD COCCCOC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 799995596 PFBIACNDJNQPEY-SFHVURJKSA-N 438.012 4.303 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2Cl)C1 800048474 CKFUAERFJIAKQJ-AWEZNQCLSA-N 441.881 4.073 10 20 IICD COc1cc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc(OC)c1OC 800048956 DDZMXGXLDJIXND-MRXNPFEDSA-N 446.975 4.461 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 802010398 CJJLNJPYNLAIJK-QHCPKHFHSA-N 425.573 4.086 10 20 IICD Cc1cc(C)c(NC(=O)CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c(C)c1 807019959 DDQQLETWUNELMM-UHFFFAOYSA-N 432.568 4.500 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1c1ccncc1 814284532 SGNMPWLAKPSIMI-FQEVSTJZSA-N 448.489 4.230 10 20 IICD Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1Br 918309863 IOXDJMGVSLKZRX-UHFFFAOYSA-N 444.373 4.345 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1 1115836389 FMZHURDDBQJPCS-NRFANRHFSA-N 425.916 4.262 10 20 IICD CN1CCN(c2ccc(/C=C/c3nc(O)c4cc(Br)sc4n3)cc2F)CC1 1256382333 RLOSXSMZYFKALJ-HWKANZROSA-N 449.349 4.221 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1cccc(S(=O)(=O)Cc2ccccc2)c1 1261140631 YTOKKUICKCJGJU-UHFFFAOYSA-N 427.869 4.102 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2F)cc1 1796455542 PBUADDPUTHYXQH-QQFNCUIESA-N 446.526 4.194 10 20 IICD CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 10732636 ZHYKLQZINMPLCZ-AWEZNQCLSA-N 439.895 4.063 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(C[S@@](=O)c4ccccc4)c3)CC2)cc1 303702992 ONSZGJAOBOAKQC-JGCGQSQUSA-N 449.576 4.357 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc21 482570902 FGORIPGEDLMZNG-HSZRJFAPSA-N 435.524 4.274 10 20 IICD COc1ccc(N2CCC(NC(=O)CCOc3ccc(C)cc3Br)CC2)cc1 726561698 LZZNHEKQKRNHCE-UHFFFAOYSA-N 447.373 4.320 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)COc1ccccc1C 726856423 LJXUVNBINZRXEE-SFHVURJKSA-N 426.538 4.182 10 20 IICD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 727246653 NXTKVKNYALSYFM-UHFFFAOYSA-N 432.914 4.216 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c(Cl)nc3Cl)cc2F)C[C@@H](C)O1 727768080 SDGNKQUWOQTOON-GHMZBOCLSA-N 430.282 4.210 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(-c4nccs4)cc3)cc2F)CC1 730133445 SMDHTPNWJDRWIV-UHFFFAOYSA-N 439.560 4.413 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3c(Cl)c4ccccc4n3C)cc2F)CC1 730235267 RZYLVYGVSAVZQN-UHFFFAOYSA-N 428.939 4.043 10 20 IICD C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 732482603 MJTSJXPDMINYDK-MRXNPFEDSA-N 439.516 4.412 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(OC)c(Br)c3)CC2)cc1 732881824 JJIMMQKVHQPFAL-UHFFFAOYSA-N 434.334 4.211 10 20 IICD Cc1cc(C(=O)NCCCOC[C@H]2CCCO2)c(C)n1-c1ccccc1Br 733156407 KSUMJOFWJGZMMH-QGZVFWFLSA-N 435.362 4.172 10 20 IICD CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742797407 CBFXZYNUVMSYBJ-MRXNPFEDSA-N 446.498 4.217 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 743475281 ZZSWFTMMHLBOBJ-UYAOXDASSA-N 447.583 4.004 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)NC(=O)OC(C)(C)C)cc1 743725610 VPDKBQFCQREYEK-WCYRKSIYSA-N 449.595 4.339 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 745892313 TUECRBDQVLCRFL-UHFFFAOYSA-N 435.547 4.386 10 20 IICD CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 750230561 NGSHYQZGPLKXKX-ZWKOTPCHSA-N 438.505 4.164 10 20 IICD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 751306085 PSPVGCQUXPGAPC-OAHLLOKOSA-N 449.511 4.234 10 20 IICD Cc1cc(C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)c(C)n1Cc1ccco1 751936907 NNEDZOHBRGRVHS-UHFFFAOYSA-N 449.532 4.415 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 753640032 GQZHZQXOXUKQHL-SFHVURJKSA-N 427.504 4.371 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(C[S@@](=O)C(C)(C)C)c3)CC2)cc1F 753882731 HCZIOEGLBUETDF-WJOKGBTCSA-N 447.576 4.236 10 20 IICD O=C(CCC(=O)c1cc(Cl)sc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 755199251 CDRFFOLVNJYOER-UHFFFAOYSA-N 445.343 4.310 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nnn1-c1ccc(F)cc1 765125182 CQEIYYXZWHQZGI-ZACQAIPSSA-N 441.526 4.318 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cn(C)c2ccccc12 771920292 DMWLEHHKYPWFGJ-MRXNPFEDSA-N 445.485 4.454 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1C 775206532 BTKZEDXMOHUKQQ-UHFFFAOYSA-N 431.539 4.276 10 20 IICD CC[C@H](CN(CC)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 776122382 FNSPWXSCCMVPFA-GGAORHGYSA-N 436.600 4.114 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)[C@@H](C)Cc3ccsc3)cc2F)CC1 779558530 RDOIUSAMVUVZFG-SFHVURJKSA-N 432.609 4.192 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 780715221 IIOJUEBHJBTCII-UHFFFAOYSA-N 440.975 4.052 10 20 IICD C[C@@H](NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 786828772 ZNQJOBMFAAXOPE-GOSISDBHSA-N 439.556 4.039 10 20 IICD Cc1sc(Br)nc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 788125852 CDTOREPBRAFIPM-UHFFFAOYSA-N 436.297 4.485 10 20 IICD Fc1cc(CNc2ccnc3c(F)cccc23)ccc1N1CCN(c2ncccn2)CC1 788839002 MMHZYEDMTZQSPG-UHFFFAOYSA-N 432.478 4.242 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1Cc1ccc(F)cc1F 790378348 UIBNRZUTLAILFD-UHFFFAOYSA-N 427.499 4.030 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(Cl)c(O)c(OCC)c1 791246760 RFWWXMJAGVTERX-UHFFFAOYSA-N 448.947 4.447 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(Br)c1 791246772 RLYBXNJBDBRYFP-UHFFFAOYSA-N 433.346 4.451 10 20 IICD COc1ccc(CNC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c(O)c1 794379144 ZZQHLMNANKZJPM-UHFFFAOYSA-N 436.892 4.340 10 20 IICD COc1ccc(CNC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c(O)c1 797626738 SGVRCWSWJUBHGX-UHFFFAOYSA-N 427.501 4.016 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800493656 PFHHMNHHJJFNQC-IAGOWNOFSA-N 436.021 4.335 10 20 IICD CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 806750789 YZLLILMQLDHQSO-JOCHJYFZSA-N 442.579 4.269 10 20 IICD C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 808780652 VWVXEMXFKGXKON-UUOWRZLLSA-N 432.520 4.344 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2c1COC2=O 809381812 MODKKDOFXMSGFY-YBEGLDIGSA-N 444.559 4.039 10 20 IICD CN(C)c1cc(Cl)cc(Cl)c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 810133102 DRYDUFVJEPGTFT-MRXNPFEDSA-N 435.399 4.051 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)[C@@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 814106021 NMFYSUOAIFVLFY-NXLNFEJXSA-N 432.561 4.067 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 915221606 AJYYHIUTYULXGV-UHFFFAOYSA-N 437.930 4.231 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1cc2c(cc1Br)OCCO2 915315202 HOOVISHKAMERBJ-UHFFFAOYSA-N 432.318 4.142 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 916680578 NNVWVJDWRZCYEB-HOTGVXAUSA-N 428.508 4.028 10 20 IICD OCC1CCN(c2ccc(CNC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 917576307 RTPVWHRHXUYMLE-UHFFFAOYSA-N 439.503 4.281 10 20 IICD COc1ccc([C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N2CCCC2)cc1 918058414 FZAOPTGSXJEUQM-RUZDIDTESA-N 436.600 4.272 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCSc2ccc(F)cc21 918200560 UZZICECYPOYIQH-OAQYLSRUSA-N 429.561 4.071 10 20 IICD CCCCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1 918547390 YOIJKHWXOIBORX-HXUWFJFHSA-N 438.572 4.197 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2c1 1324245380 BTFFAHSNYBLLAY-OAHLLOKOSA-N 429.467 4.485 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1Br 1331661810 UWYQARFXKWNXRW-UHFFFAOYSA-N 435.234 4.392 10 20 IICD C/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1 1823440627 UJQPXSXFPBYGOO-SHCNBLLESA-N 434.565 4.353 10 20 IICD Cc1nc(F)ccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398797 FHRQLCNFROHGMV-UHFFFAOYSA-N 446.526 4.067 10 20 IICD COc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OCc1c(C)noc1C 237252154 KBIDEAOOBPQGAF-UHFFFAOYSA-N 437.540 4.005 10 20 IICD CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c12 302988428 KXPPNGHWAVHQLF-UHFFFAOYSA-N 448.567 4.362 10 20 IICD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cc(Cl)cc(Cl)c3O)cc2)C1 725846041 VBZPHBLALAXMFR-AWEZNQCLSA-N 443.396 4.409 10 20 IICD C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(N2CCOC2=O)c1 726243408 HJVVMWJXWZSQHF-KRWDZBQOSA-N 435.480 4.415 10 20 IICD COc1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC(F)F 726269994 QOGXEOYICUSIRL-UHFFFAOYSA-N 433.499 4.279 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC(Oc2ccccc2)C1 729373547 GXUMDHAYFDJVHH-PDGQHHTCSA-N 444.603 4.019 10 20 IICD Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 730119767 PDGSCHHTHPOQKH-IJEWVQPXSA-N 434.581 4.415 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F 731405206 XPORVEZFSTYFOA-HXUWFJFHSA-N 429.536 4.268 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 732114851 OFJFTAUNTCECPD-UHFFFAOYSA-N 449.507 4.454 10 20 IICD CC[C@@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4C[C@H](C)O[C@H](CC)C4)c23)C[C@H](C)O1 732185359 PABABNXGTZOHRL-FMWKFLBASA-N 442.600 4.250 10 20 IICD CCOC[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 733763799 CQVCXURSPPEJIO-YSKWHIJTSA-N 438.640 4.005 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2C)nnc1-c1ccc(Cl)cc1 734402561 MFVUPSJUTVWJRV-UHFFFAOYSA-N 444.004 4.401 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccc(F)cc3)CC3CC3)cc2F)CC1 734668929 ISMUWUBIGNLWEZ-UHFFFAOYSA-N 442.554 4.229 10 20 IICD O=[S@](CCN(Cc1ccccc1O)C[C@H]1CCCO1)c1cc(Cl)ccc1Cl 735492527 IKQRLWGYWLHQSZ-XGCWNURASA-N 428.381 4.488 10 20 IICD COc1ccc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c(OC)c1OC 735930527 MDETYEMUTNGPIF-UHFFFAOYSA-N 425.481 4.173 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)n2)cc1 739384149 GFJNHEZHOGARSG-UHFFFAOYSA-N 443.337 4.271 10 20 IICD CCOc1ccc(N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 739613267 UUTCHZUUMHWAIZ-UHFFFAOYSA-N 430.416 4.046 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cc2C[C@@H]1C 740609086 CBCREEIWIGTIKB-KRWDZBQOSA-N 427.570 4.021 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2csc(C3CC3)n2)NC(=O)OC(C)(C)C)cc1 742749972 KQFUUQRRBRTSBC-KRWDZBQOSA-N 430.574 4.082 10 20 IICD O=C(NCCCCCN1CCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743603547 CWKMALLHNFVIOX-IBGZPJMESA-N 438.563 4.212 10 20 IICD CCN(CC(=O)Nc1cc(Cl)ccc1OC)Cc1cc(Br)ccc1O 743870861 DWYZVJSFFHUBJX-UHFFFAOYSA-N 427.726 4.277 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCOC1CCCC1 747135903 SCNJORSHPWIIOQ-SAPNQHFASA-N 438.640 4.195 10 20 IICD Cc1cc(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)n1-c1ccc(Cl)cc1 747597784 SSCZEYBQKURHMS-UHFFFAOYSA-N 434.920 4.471 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)cc2)CC1 751016662 PEMGPCYGDXLCCI-UHFFFAOYSA-N 432.524 4.196 10 20 IICD CC(C)n1cnc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 753924698 YCPWLWCRCSOBCP-UHFFFAOYSA-N 433.378 4.212 10 20 IICD C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(Cl)c1O 756544158 SUVUGPJCQDHALM-GXSJLCMTSA-N 436.680 4.177 10 20 IICD CCCn1ccnc1CCCN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 758625811 WPPHJKSQERURRM-UHFFFAOYSA-N 449.546 4.138 10 20 IICD COc1cc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC 759221676 DTTALYCCYAPGDM-UHFFFAOYSA-N 446.547 4.193 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 759495518 AQJMCOCTOLBDGO-UHFFFAOYSA-N 439.462 4.420 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)c2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 759698076 UYJZJNJWUORXTF-UHFFFAOYSA-N 440.507 4.387 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1F 760312470 INQDAQGWFJEUJB-MRXNPFEDSA-N 425.508 4.325 10 20 IICD O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)N(Cc1ccco1)Cc1ccccc1O 761821552 PEOOVNRCGVUHHH-HXUWFJFHSA-N 437.471 4.032 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(I)cc1 765210481 JQOUOYOYRCBZCR-UHFFFAOYSA-N 447.070 4.081 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)s1 766498153 ZZFBIKBSYFOERG-UHFFFAOYSA-N 447.523 4.141 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1O 775011360 JIGDFRHTUKWCNN-UHFFFAOYSA-N 440.327 4.370 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H](C1CCCCC1)C(F)(F)F 775995025 PFAXAKHMJJASSU-LJQANCHMSA-N 431.474 4.097 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1C1CCCCC1 776308850 WLYGOAIOGDXGFY-ROUUACIJSA-N 428.552 4.379 10 20 IICD CCOc1ccc(Br)cc1CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 779510545 BETVIOVBTFQAKN-ONNFQVAWSA-N 432.314 4.463 10 20 IICD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2)n1 782895916 HIFNSIOQABJMIL-UHFFFAOYSA-N 446.551 4.495 10 20 IICD O=C1CCc2ccc(OCCCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2N1 784053871 ICIMIOHVQFVNQH-UHFFFAOYSA-N 441.491 4.079 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 785429233 XPPJGOAESQWSDT-LEWJYISDSA-N 447.501 4.182 10 20 IICD CCCCn1ncc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C(C)C 792220492 BYVVBULZLWSQDY-UHFFFAOYSA-N 439.604 4.298 10 20 IICD CC(C)C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 796341075 OAQFHFVEZBRSPC-NRFANRHFSA-N 443.555 4.294 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(N(C)C)cc1 800626154 GTBGSQAHOZIEHB-ZDUSSCGKSA-N 441.425 4.039 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C2CCOCC2)C1 802372995 XAIONGHTKMPSHY-JOCHJYFZSA-N 449.599 4.252 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 802610527 DXMALVPFZGQPCP-UHFFFAOYSA-N 429.948 4.413 10 20 IICD COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 805162705 JNLVJLSLPUMGGR-JTQLQIEISA-N 437.283 4.318 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1nc2c(s1)CSCC2)c1ccc(N)cc1 807002824 QGXSQIMAPWXSKC-CQSZACIVSA-N 438.578 4.248 10 20 IICD COc1ccc2c(c1)c1c(n2Cc2nc(-c3cnc(OCC(F)F)cn3)no2)CCCC1 904735223 PMCMFHHCWDRGJL-UHFFFAOYSA-N 441.438 4.061 10 20 IICD Cc1cc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)c(C)n1-c1ccc(F)cc1 912988176 DXAOZGPMPMMVKJ-UHFFFAOYSA-N 440.460 4.100 10 20 IICD CN(C)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 913962477 ZNWQLNKFCMCUBL-LGMDPLHJSA-N 431.608 4.434 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCOc2ccccc2C1 918663563 RDLDWPUXCSJFGF-QGOAFFKASA-N 444.603 4.151 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)COCc3ccccc3)cc2F)C[C@@H](C)O1 919798636 FZMUGDIALFWXBM-AQNXPRMDSA-N 443.563 4.091 10 20 IICD C[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(N2CCOCC2)cc1 920881107 CGSJAIWAWULFBL-SPLOXXLWSA-N 448.350 4.200 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)s2)cc1 920881126 KHAGICQWRFWKIB-INIZCTEOSA-N 437.565 4.455 10 20 IICD Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)cs1 920881327 MTCTZQLPMBSYHV-KRWDZBQOSA-N 437.565 4.358 10 20 IICD O=C(c1ccn(-c2ccccc2C(F)(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 1321026625 CSDHMFCYUFANDE-QGZVFWFLSA-N 445.441 4.418 10 20 IICD Cc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 1800514381 UQNQGHYNAYJWLK-VILGAWFOSA-N 442.563 4.363 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290816 HWULMAFYXGEGDU-QGZVFWFLSA-N 446.935 4.361 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2F)C[C@@H](C)O1 108468898 YJJCHPYANLZWBL-HDICACEKSA-N 439.531 4.144 10 20 IICD COc1ccccc1[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nccn1C 726088936 ROIGDWJHLXTDQS-QHCPKHFHSA-N 446.507 4.229 10 20 IICD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 726289906 HQVINWQAXMXLKA-UHFFFAOYSA-N 428.536 4.253 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)cc1 729835808 FMQYTZCEJROUFF-UHFFFAOYSA-N 434.514 4.044 10 20 IICD COc1cc(Cl)c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 729854230 ZJBIIFRPCQVMCO-UHFFFAOYSA-N 447.409 4.034 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(CN(CC)C(C)C)cc3)cc2F)CC1 730194990 VDYHYESYSQJXFS-UHFFFAOYSA-N 440.607 4.128 10 20 IICD CN(Cc1ccc(F)cc1)C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731107367 PNIHDMIPBDNZRX-UHFFFAOYSA-N 441.547 4.262 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1F 731364172 SNYHKPZZAQFTLD-UHFFFAOYSA-N 428.552 4.377 10 20 IICD CCOc1cc(Br)c(NC(=O)NCc2cc(OC)ccc2O)cc1OCC 734060693 FMSNPPIMNLOBNN-UHFFFAOYSA-N 439.306 4.282 10 20 IICD O=C(Cc1cc(-c2ccccc2)on1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 735850698 ZUWBAMNZZLZJFP-UHFFFAOYSA-N 445.441 4.056 10 20 IICD Cc1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(C)n1-c1cccc(Cl)c1 742202295 VSAGZKPWFGOSRX-UHFFFAOYSA-N 441.881 4.278 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)C2(c3cccc(F)c3)CC2)NC(=O)OC(C)(C)C)cc1 742749249 DRJGPRSTBDJBLZ-NRFANRHFSA-N 441.547 4.306 10 20 IICD COCCCOc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742807018 WPBVNUNXGKRFLJ-GOSISDBHSA-N 434.483 4.102 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(Br)c1O 743808946 JRYKALMSVZXXSB-UHFFFAOYSA-N 429.108 4.285 10 20 IICD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 744473767 LBSPEKRNQLCGSX-MRXNPFEDSA-N 427.456 4.263 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cn1C 745994663 MOINRXGNRHLLTJ-UHFFFAOYSA-N 433.555 4.034 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 747857290 LTFFFQDOFWWOSI-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCc2cc(OC)ccc2C1 753293250 XOWMJHVCCAKPST-SFHVURJKSA-N 433.346 4.252 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2cc(Br)c(F)cc2O)cc1 756356988 ATAYWMIPGKMOTC-MGPUTAFESA-N 437.353 4.326 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)cc1OC 756434893 VFDSCADIOLKAQD-LBPRGKRZSA-N 427.328 4.073 10 20 IICD C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)c(F)cc1O 756456070 FTMSCANVXPUIRK-CQSZACIVSA-N 437.353 4.353 10 20 IICD COc1ccccc1CC(=O)N1CCC(N[C@@H](C)c2ccc(Br)cc2O)CC1 756512436 YIXAFGBYKZGSNE-HNNXBMFYSA-N 447.373 4.048 10 20 IICD COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(OC)ccc3O)s2)cc1 758291981 OFEWRFIGUDXLAR-CYBMUJFWSA-N 426.494 4.214 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)CC2)cc(OC)c1OC 759242504 ZLDYLRXAERXNHF-DHIUTWEWSA-N 446.547 4.318 10 20 IICD O=C(NCCCSc1nccs1)NCC1(c2cccc(Cl)c2)CCOCC1 759570480 PDHFEOKSRZLTAY-UHFFFAOYSA-N 426.007 4.326 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(N4CCN(C(C)C)CC4)CC3)c2C)cc1 761121910 IJTVQXOGDHSAHM-UHFFFAOYSA-N 436.644 4.076 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O 766600218 GFLBFXFUKXLRFX-OAQYLSRUSA-N 433.512 4.090 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)cc1 768720984 XVBBOHKSIMBWPK-UHFFFAOYSA-N 437.874 4.010 10 20 IICD C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 769721569 DCEULVWKKNXIEX-LBPRGKRZSA-N 442.459 4.148 10 20 IICD O=C(CCCc1nc2ccccc2[nH]1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771064847 LCLAXUHFXDTJEO-SFHVURJKSA-N 426.948 4.025 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1(c2ccccc2)CCCC1 773616676 AAIVCIRYVVHJQI-IRLDBZIGSA-N 448.611 4.088 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@H](C)c3ccc(N(C)C)cc3)[C@H](c3ccco3)C2)cc1 775832338 ZEVUVKZNRGASEM-KOSHJBKYSA-N 446.551 4.383 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 777823190 QVCOLDUTBNVAOL-INIZCTEOSA-N 442.512 4.306 10 20 IICD COC(=O)[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1F 779177492 CENLEGNWHHKSTR-AWEZNQCLSA-N 447.098 4.060 10 20 IICD O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 782127415 ISGIXRQJVDTDGG-UHFFFAOYSA-N 447.461 4.431 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 783326203 GRNFXYWPNWNSBA-UHFFFAOYSA-N 443.547 4.359 10 20 IICD CO[C@H]1Cc2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1 784080191 YCTAAQZJQQJPLE-QRWLVFNGSA-N 440.499 4.015 10 20 IICD O=C(Nc1cccc(Br)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 786145468 JVIBEEMSALEOBT-LBPRGKRZSA-N 441.276 4.236 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c3ccccc3)CC2)cc1 788234550 MWQRZBJIJBTMLG-QHCPKHFHSA-N 437.584 4.074 10 20 IICD CC(C)(C)C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 788236367 USBKZMRKRQLFBQ-FCHUYYIVSA-N 438.568 4.194 10 20 IICD C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788911736 QNLGFHKAUPYEFD-MRXNPFEDSA-N 433.474 4.141 10 20 IICD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 789836615 QHAQQDAEBFKMDI-KRWDZBQOSA-N 425.529 4.031 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)cc1 790230910 LJCFCCLLSFLTSB-UHFFFAOYSA-N 427.499 4.031 10 20 IICD COc1cc(C(F)(F)F)ncc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 792510677 MHRIOKLUZDSJAE-CQSZACIVSA-N 425.407 4.028 10 20 IICD CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800636850 PHKUENAKRFUZRY-OAHLLOKOSA-N 427.932 4.034 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)cc1 802341969 KSISETSDUURXNH-FQEVSTJZSA-N 442.535 4.015 10 20 IICD CC(C)Cn1ncc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 806814583 RGQAYNSSFUXBFO-CALCHBBNSA-N 443.567 4.491 10 20 IICD CN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822208060 YYIAMYTWFXMOGE-UHFFFAOYSA-N 440.864 4.357 10 20 IICD CC(=O)c1csc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 914445067 MDMDLKGIFXKCND-JYRVWZFOSA-N 437.593 4.027 10 20 IICD CCC[C@@H](C)N(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 915184041 MBZAETJPNJJBQZ-JXCQQFQQSA-N 441.416 4.297 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)s1 915291040 PRSABEDHAVCEIN-UHFFFAOYSA-N 445.950 4.101 10 20 IICD CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 916680500 KJOVHRLUIJMFPI-IRXDYDNUSA-N 442.535 4.418 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(Br)cc3)cc2F)C[C@@H](C)O1 917713440 QVGUQTWNCSEABV-GASCZTMLSA-N 435.337 4.061 10 20 IICD Cc1ccc(C)c(OC2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 919908372 YTYVRGNQIBKPFD-UHFFFAOYSA-N 441.547 4.032 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(N2CCOCC2)cc1 1318030196 CODOMIIVRWDCOF-UYAOXDASSA-N 433.556 4.050 10 20 IICD Cc1csc([C@@H](N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)n1 1342338962 VAYYDZQQJZQLTF-SZNDQCEHSA-N 445.544 4.295 10 20 IICD CN(C)c1ccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 15832924 IGPPAHJELKEOMR-UHFFFAOYSA-N 430.371 4.498 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 40374682 HKSZVHAFWLEGKW-LFIBNONCSA-N 432.479 4.009 10 20 IICD Cc1ccccc1-n1ccnc1SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 303702418 OERUMMDJDNOTMT-HXUWFJFHSA-N 437.565 4.186 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)n(C)c2ccccc12 472780546 AITDCRMOSATRFN-GOSISDBHSA-N 432.568 4.102 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2ccccn2)c(C)n1-c1ccc(Br)cc1 726166544 QWAYBUSHRBJHKZ-UHFFFAOYSA-N 441.329 4.010 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)cc1 728312097 LDHYXFSUIMWDPL-GRSHGNNSSA-N 425.510 4.421 10 20 IICD CN(C)c1ccc(CN(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)CC(F)(F)F)cc1 728904735 RLMYYYQWINSNGR-UHFFFAOYSA-N 443.828 4.096 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734524600 CKGORYIVYZLZDU-LJQANCHMSA-N 432.490 4.384 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O 737285430 CAASSTGGOLDOTE-UHFFFAOYSA-N 447.516 4.241 10 20 IICD CC(C)Cc1nnc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 743069484 DWIXQNDFAXPRTE-ZDUSSCGKSA-N 425.505 4.129 10 20 IICD COc1ccc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c(OC)c1OC 743284421 MHOQYEMPVKDDOJ-AMRJIULGSA-N 441.574 4.471 10 20 IICD Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 743312401 GRZYSBAJFFTHQN-UHFFFAOYSA-N 443.906 4.334 10 20 IICD CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 743413488 DRGXKWIFBPSJNB-UHFFFAOYSA-N 436.556 4.059 10 20 IICD O=[N+]([O-])c1cccc([C@@H](O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 749663246 OFXHVNWYHKYLQV-CTNGQTDRSA-N 425.510 4.463 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1O 750617828 WZNLKJGYKAWJIV-LJQANCHMSA-N 431.536 4.296 10 20 IICD Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 752365919 YCXJMKBRJHNCRP-QZTJIDSGSA-N 428.552 4.444 10 20 IICD C[C@@H](Sc1ccccn1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754240474 OZVZZMPGXBOOBN-VQIMIIECSA-N 444.601 4.010 10 20 IICD O=C(N[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)c1cc2ccccc2o1 755126698 KCSFEARJFJACIP-OAQYLSRUSA-N 446.551 4.137 10 20 IICD Cc1cc(Br)cn2cc(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)nc12 760882812 DGFABPYEDVEKCM-HNNXBMFYSA-N 447.352 4.232 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ncc(C(C)(C)C)o3)cc2F)C[C@H](C)O1 761883147 VNUSMVYMQUEQSJ-GJZGRUSLSA-N 435.565 4.133 10 20 IICD Fc1cc(CN[C@@H]2CCCOc3cc(Br)ccc32)ccc1N1CCOCC1 765118550 LIMUUABAOYGVNT-LJQANCHMSA-N 435.337 4.428 10 20 IICD Fc1cc(CNC2CCC(C(F)(F)F)CC2)ccc1N1CCN(c2ncccn2)CC1 766329811 DTASQSHUAWDONO-UHFFFAOYSA-N 437.485 4.153 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 767923674 RPRGTPORKKMUCO-SLFFLAALSA-N 432.486 4.481 10 20 IICD O=C(N[C@@H]1CCCc2sccc21)c1cc(NS(=O)(=O)c2cccs2)ccc1O 768603032 NCXSKVPQTRQEPQ-OAHLLOKOSA-N 434.564 4.123 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)cc1)C1CCCCC1 768719301 DZVOOBFJSNOLEG-UHFFFAOYSA-N 449.530 4.035 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(n3cc(Br)cn3)CC2)ccc1N1CCCCC1 769399431 KALIPONMKDYAOA-UHFFFAOYSA-N 448.365 4.381 10 20 IICD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cc(Br)ccc2O)CC1 770284468 RHXLNEJHHFWWGA-UHFFFAOYSA-N 443.382 4.051 10 20 IICD C[C@@H](CC(=O)c1ccco1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 771565998 RZCQJIFGVWEZKD-VLURKWGBSA-N 448.591 4.100 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3N(C)C(=O)c3cccs3)c2)CC1 771635259 FLDSRALDZZNGTO-UHFFFAOYSA-N 448.592 4.419 10 20 IICD COc1ccc(C2(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCCC2)cc1OC 777286688 HYYKLFXRIHBSDC-UHFFFAOYSA-N 438.568 4.011 10 20 IICD COc1ccc(NC(=O)C2(NCc3cc(Br)ccc3O)CCCC2)cc1OC 779177539 FEEAMPAEIGLWBX-UHFFFAOYSA-N 449.345 4.213 10 20 IICD COC1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2C(F)(F)F)CC1 779514636 OUQBUUXYXLQOIE-XVNBXDOJSA-N 436.430 4.384 10 20 IICD CN(CC1(c2ccccc2)CC1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 782695019 GBNYNLSUPIXETQ-UHFFFAOYSA-N 440.455 4.174 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 784025918 NYXALDTYWHKKLZ-UHFFFAOYSA-N 436.483 4.488 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)cc(F)c3Br)CC2)cc1F 785873884 OWVYSIVVUHTWPK-UHFFFAOYSA-N 444.251 4.229 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCOCc3ccccc3)cc2F)C[C@@H](C)O1 798373105 RDKXELJYGAKBGE-WOJBJXKFSA-N 443.563 4.188 10 20 IICD C[C@@H]1CCCN(c2ccc(CNc3ncnc4c3cnn4-c3ncccn3)cc2Cl)C1 800141494 BEBYVHGFAVMZPL-OAHLLOKOSA-N 434.935 4.107 10 20 IICD C[C@H](NC(=O)NCc1ccncc1OCc1ccccc1)c1ccc(N2CCOCC2)cc1 804989561 OSJQISURGFFVAA-FQEVSTJZSA-N 446.551 4.058 10 20 IICD COC(=O)c1cc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(Cl)c1 807006504 MVNMYPDUSUTOJE-UHFFFAOYSA-N 443.931 4.179 10 20 IICD CC(=O)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1 808014157 ABPDISDJWRYUOD-UHFFFAOYSA-N 449.370 4.300 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1O 815567854 NZQCSKAMQQQSNS-AWEZNQCLSA-N 428.476 4.046 10 20 IICD COc1c(C)ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C 916631520 IUIKXTFEMZNKCH-UHFFFAOYSA-N 437.462 4.489 10 20 IICD O=C(CSc1ncnc2scc(-c3ccccc3)c12)NCCc1ccc(O)c(O)c1 917356449 SKBZVXAUICCKHW-UHFFFAOYSA-N 437.546 4.221 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2F)C[C@@H](C)O1 917715927 ZNDGIMHWBASBJL-QZTJIDSGSA-N 448.542 4.432 10 20 IICD C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 918075957 XVVYOPQOMWZMDQ-KSSFIOAISA-N 437.462 4.258 10 20 IICD CCc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 919391421 BXIHEWFZTOUTIQ-UHFFFAOYSA-N 442.313 4.249 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 920873861 VIAXQGISCUICBI-FQEVSTJZSA-N 434.496 4.496 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 1318818674 UYWQJAZFPUPHLA-UHFFFAOYSA-N 446.345 4.235 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)CC2)cc1 1319961204 APLKNRJVBQNOHT-UHFFFAOYSA-N 441.528 4.100 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c2ccccc2n1 1324252562 TVBSPSMHKGINJV-GOSISDBHSA-N 429.524 4.180 10 20 IICD CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775970 YPCJTQYUXNPCLD-UHFFFAOYSA-N 446.931 4.314 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 40859600 QJMZGJJGPBLJML-PDGQHHTCSA-N 429.519 4.286 10 20 IICD COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 108288401 LTJPWLYXVNKLIY-IXDOHACOSA-N 432.561 4.245 10 20 IICD Oc1ccccc1CN(Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCCO1 302835020 ZEPNDXPIKQTAIE-INIZCTEOSA-N 444.329 4.386 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1sccc1S(=O)(=O)C(F)F 303288104 LVRPNLMCOUPFGK-UHFFFAOYSA-N 428.526 4.007 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(-c2ccccc2)[nH]1 726101214 KJPBHEXFJXQDRW-HXUWFJFHSA-N 437.519 4.003 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3-n3cccn3)c2C)cc1 730602056 CDWHIOIWDNPOFD-UHFFFAOYSA-N 444.491 4.113 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 732958926 YIFNLZKLRGDWRM-UHFFFAOYSA-N 442.357 4.407 10 20 IICD Fc1ccc2c(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccnc2c1 733300860 XDDFVQGPNPWAEL-UHFFFAOYSA-N 432.478 4.242 10 20 IICD CSc1ccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 740649608 WMJVATCERYPYFX-IXDOHACOSA-N 432.561 4.245 10 20 IICD C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801272 OTNVMOCISZYBLD-KGLIPLIRSA-N 426.410 4.119 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OCC(F)(F)F)nc1 742806284 REZRLCUCRPNGPM-CQSZACIVSA-N 445.388 4.023 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)cc1F 747012434 XBQVBVSTPDYOJU-UHFFFAOYSA-N 437.540 4.439 10 20 IICD C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 748631684 DDFKQXOSXBEZQZ-RVHYNSKXSA-N 429.358 4.267 10 20 IICD Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 748720807 BCHCWWWJKLJQOE-UHFFFAOYSA-N 441.376 4.032 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 750861850 JMWKSHRWHOXYER-GOSISDBHSA-N 430.570 4.008 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 751920055 SJPVMVSCYIHAOP-UHFFFAOYSA-N 435.427 4.130 10 20 IICD OC1CCN(c2ccc(CN[C@H](c3cccnc3)c3ccc(F)cc3F)cc2F)CC1 753624592 ONFVWUWZUUZALW-XMMPIXPASA-N 427.470 4.339 10 20 IICD COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1F 753738036 LEGGGYWKHLKBNM-ROUUACIJSA-N 433.321 4.049 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)CC2)cc1F 753883222 AURYRRFHNROKRJ-UHFFFAOYSA-N 442.535 4.481 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1c1ccccc1Br 755122721 OIWRPMSKFSGDLS-NRFANRHFSA-N 444.373 4.332 10 20 IICD C[C@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O 761177233 HSHOVUACXPDFKW-OAHLLOKOSA-N 442.357 4.357 10 20 IICD C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 762935325 DPGSORLCYZOOJD-MRXNPFEDSA-N 427.595 4.272 10 20 IICD CC(C)(C)[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 763574883 LHTZDTDOBOAYQL-BXWFABGCSA-N 425.520 4.150 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCCC4=O)CC3)c2C)cc1 763677162 RZQVCPCTMPUYIM-UHFFFAOYSA-N 437.584 4.152 10 20 IICD O=C(NCc1cccc(Br)c1O)NCC1(CCOCc2ccccc2)CC1 764806574 RNKKRHDFCHJMHJ-UHFFFAOYSA-N 433.346 4.341 10 20 IICD COc1ccc(N2CCC(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)cc1 765077067 GNVUSDDJPIDYDO-UHFFFAOYSA-N 449.517 4.309 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(N2CCCCC2)c(F)c1 765241848 DVTDRJNKELTENK-DENIHFKCSA-N 438.591 4.369 10 20 IICD Cn1cc(C(=O)NCc2cccc(Br)c2O)c(-c2ccc(Cl)s2)n1 765756243 LOWKEMPHTIDFSY-UHFFFAOYSA-N 426.723 4.200 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 766290643 XMZDUHINOPBFNT-XMMPIXPASA-N 434.515 4.241 10 20 IICD C[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 766571263 DRGQFOCCTXFFNB-CTNGQTDRSA-N 442.003 4.061 10 20 IICD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCC(CO)CC2)cc1 768099948 XQNAOXOTAZTEKN-HXUWFJFHSA-N 429.586 4.464 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1 772142276 KBRPLFBGLUJXQI-NRFANRHFSA-N 434.521 4.426 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(I)ccc2C)c1 775862695 KQEAGLQKDZIHHS-LLVKDONJSA-N 426.254 4.197 10 20 IICD COc1ccc([C@H](NCc2cc(Cl)cc(F)c2O)c2cccc(S(C)(=O)=O)c2)cc1 776219210 DXKFAHQTAMZYKI-NRFANRHFSA-N 449.931 4.476 10 20 IICD C[C@H]1CN(c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)cn2)C[C@@H](C)O1 777705890 XAXFSDQBCZCFRI-KSZLIROESA-N 430.980 4.358 10 20 IICD COc1cc(Br)cc(CNC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1O 779192670 HJUBXIORFUUGBB-UHFFFAOYSA-N 429.355 4.043 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779494825 RYVKFZMDGHUREP-UHFFFAOYSA-N 426.517 4.208 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)OC)cc1OC 782078630 WOAVJQDGIVQDMF-UHFFFAOYSA-N 437.290 4.004 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)C2CCCCC2)cc1 784058659 ZIRWOKNRNCYXRG-QHCPKHFHSA-N 437.540 4.131 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2cccc(Br)c2)C1 786970369 ZGPMRQLJYXMGOO-IBGZPJMESA-N 443.389 4.127 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NCC(C)(C)C)c3C)cc2)CC1 788004797 ZDWSJTDDUNAJRE-UHFFFAOYSA-N 436.600 4.052 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 793861528 GTDGRYXOLVJEBE-MRXNPFEDSA-N 447.373 4.031 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3ccc4occc4c3)SC2=S)c1 794681443 SDUNCPACMYLUDM-WOJGMQOQSA-N 444.559 4.089 10 20 IICD C[C@@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1ccc(N2CCOCC2)cc1 795593051 SMWYTNIRAPYSNZ-OAHLLOKOSA-N 447.348 4.334 10 20 IICD CCOc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2ccncc2)cc1 799927969 KUPHMVSPWUROJP-UHFFFAOYSA-N 426.483 4.244 10 20 IICD COc1cccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1OCc1ccccc1F 801558691 ZSZUOWCEZDUPKJ-QBFSEMIESA-N 437.467 4.496 10 20 IICD O=C(NC[C@H]1CCCN(c2ccccc2)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 807756085 KUMPZRSCHVATTC-OAQYLSRUSA-N 449.595 4.086 10 20 IICD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O 813682349 CJDHAZPGKVSQPF-SNVBAGLBSA-N 431.316 4.215 10 20 IICD CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(C)cc1 914456096 PDTNCYYALYVWCK-VWLOTQADSA-N 433.552 4.450 10 20 IICD CC(C)Oc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 915285469 ZXOMUXBIFXDCAG-UHFFFAOYSA-N 430.416 4.410 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC12CC3CC(CC(C3)C1)C2 915879350 XTSLGUXXBWUUGN-UHFFFAOYSA-N 437.506 4.310 10 20 IICD O=C(NCCc1ccc(Br)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 916235786 URIUEDZSDLPYFF-OAHLLOKOSA-N 439.375 4.150 10 20 IICD COc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1OCc1ccccc1Cl 916590460 CWDGPTWYCQCRCG-UHFFFAOYSA-N 442.851 4.379 10 20 IICD COc1ccc(N2CCCN(Cc3cc(OC)c(OC)cc3Br)CC2)cc1 917090063 YKTFVRKQDJIMMR-UHFFFAOYSA-N 435.362 4.187 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Br)cnc1Cl 917840425 DDOKYQWXCUNPTI-UHFFFAOYSA-N 430.736 4.422 10 20 IICD C[C@H](NC(=O)N(C)Cc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 920869865 CANCSVBNMBTRPL-INIZCTEOSA-N 432.362 4.188 10 20 IICD O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1 921073919 WSPZXTBRKGNACM-UHFFFAOYSA-N 426.319 4.011 10 20 IICD CC(C)n1ncc2c1[C@@H](NC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CCC2 1116628514 BIYCWJCWYUFKIX-LZJOCLMNSA-N 443.567 4.094 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1117778550 XTSMEVLKPDBSCX-UHFFFAOYSA-N 447.457 4.205 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)c2ccccc2OC)cc1 1319640569 RMMHDZHZZVEJKJ-MHZLTWQESA-N 449.570 4.474 10 20 IICD C[C@@H](NC(=O)c1cccc(COc2cccc(C=O)c2)c1)c1ccc(N2CCOCC2)cc1 1327343737 SGIHCSPQOZMVGG-HXUWFJFHSA-N 444.531 4.406 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)c3ccccn3)C2)cc1 1846666775 RLEHZHSSQOXUCV-NRFANRHFSA-N 442.563 4.110 10 20 IICD CN(C)c1ccc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 15134884 HFFSNLOKVBYYHU-UHFFFAOYSA-N 440.897 4.353 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(I)c1 33219992 JDDNNCLXKILADS-UHFFFAOYSA-N 428.701 4.283 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 236967406 ZCXHAHCMLXLKEZ-FQEVSTJZSA-N 437.609 4.472 10 20 IICD CCOC(=O)c1sc2ncnc(NC3CCN(c4ccc(OC)cc4)CC3)c2c1C 301181404 NEDUBZOKDNSCKY-UHFFFAOYSA-N 426.542 4.266 10 20 IICD Cc1ccc(C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 303687882 LUZKQGFWBLECKI-AREMUKBSSA-N 444.579 4.352 10 20 IICD COc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc(Cl)c1OC 518876187 WWJUXSMFHUXLDD-UHFFFAOYSA-N 441.896 4.290 10 20 IICD COCCn1c(C)cc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)c1C 726627013 NTQRMWWYZKZASL-LTGZKZEYSA-N 443.638 4.479 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC1=S 727176617 NASZLNQTFFSABM-RQZCQDPDSA-N 435.018 4.315 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1F 727491231 KYJUMQYIKZUZGU-ODLFYWEKSA-N 448.516 4.216 10 20 IICD CCn1c(C)cc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1C 728312017 IDDYXTXELPJQRE-DEDYPNTBSA-N 428.579 4.340 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 728638928 NFTMLXVYRYVYEZ-FUHWJXTLSA-N 440.515 4.466 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729175861 HHNLXLJTZLSEAS-FQEVSTJZSA-N 431.989 4.018 10 20 IICD Cc1cc(C(=O)CN2CCn3cnnc3C2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 730006146 DAMLSUQKEWMSHR-UHFFFAOYSA-N 437.853 4.056 10 20 IICD Cc1cc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)n1-c1ccccn1 732780262 QXFKIWQBELJINY-UHFFFAOYSA-N 425.554 4.455 10 20 IICD Cc1ccc(CNC(=O)c2nnc(CN(C)Cc3ccc(N4CCCCC4)cc3)s2)cc1 738299390 OSYKDJLOGRIFRL-UHFFFAOYSA-N 449.624 4.399 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1 743142235 VOXLUHOBLFCYNL-CQSZACIVSA-N 437.418 4.004 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(OCC(F)(F)F)c1 743807812 HKDHFKNSQCATSU-UHFFFAOYSA-N 433.224 4.153 10 20 IICD CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 743957834 CEHDEAZXZIEALU-UHFFFAOYSA-N 443.547 4.162 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 743958070 JWEUQYSUAFNMQV-UHFFFAOYSA-N 434.467 4.457 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2F)C[C@@H](C)O1 748845941 MWRIDAVAHOCWKY-HZPDHXFCSA-N 449.530 4.032 10 20 IICD Cc1cccc(N2C[C@@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)c1C 751302584 NNYBLHHELAWQIO-SFHVURJKSA-N 425.492 4.005 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1F 753731345 MFLKOMPTQDIURG-UHFFFAOYSA-N 437.393 4.177 10 20 IICD CC[C@@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(C)cc1 760104160 NXTCUHJGPNBDAA-HXUWFJFHSA-N 427.545 4.004 10 20 IICD Cc1cc(C(=O)CSc2nnc(CO)n2C2CC2)c(C)n1-c1ccc(OC(F)F)cc1 760184102 STTBZIAQWMSVKA-UHFFFAOYSA-N 448.495 4.089 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(Cl)cc1Cl 761996432 UJTXRYVLWGIWMO-UHFFFAOYSA-N 434.297 4.074 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CC(=O)N(c5ccccc5)C4)no3)ccc21 762152144 SGBKCIJNPBJESG-IBGZPJMESA-N 430.508 4.475 10 20 IICD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)cc1 764019117 ONJLEBBEQXXMTC-UHFFFAOYSA-N 429.542 4.254 10 20 IICD C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238074 OZWXUGVUNNPNNN-LSDHHAIUSA-N 438.906 4.312 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3N(C)C(=O)c3ccco3)c2)CC1 767881897 JCCIUZYEYRUPJU-UHFFFAOYSA-N 446.551 4.339 10 20 IICD COc1cccc(C(=O)N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)c1OC 769141243 LHPWTGKBMJLMIE-UHFFFAOYSA-N 432.520 4.034 10 20 IICD CC[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)c(Cl)c1O 775556502 YWDRXQCSTSCIEN-KRWDZBQOSA-N 429.369 4.480 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 779333278 UPAOONSFBHXHCU-OAQYLSRUSA-N 441.522 4.361 10 20 IICD COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCCS2 783221925 JBAWSRLUSKAYLW-GCJKJVERSA-N 425.598 4.114 10 20 IICD CCOC(=O)c1ccsc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483252 PYLUTWPHHROJND-OAHLLOKOSA-N 437.521 4.240 10 20 IICD C[C@H](NCc1cnn2ccccc12)c1cc(Br)cc(Br)c1O 797057106 LGWPUQZGDZOMCA-JTQLQIEISA-N 425.124 4.416 10 20 IICD CN(C)Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Cl 799261838 DPNBJBJGMNVNBT-UHFFFAOYSA-N 428.964 4.288 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)NC(=O)OC(C)(C)C)cc1 806153942 BMJDMTLVUDJBBL-BPQIPLTHSA-N 431.499 4.018 10 20 IICD CC(C)Oc1ccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1 806175785 FMPZOUCFTJCAJR-DFBJGRDBSA-N 429.580 4.403 10 20 IICD C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H](C)c1ccccc1C(F)(F)F 806276635 HCGHUVSCUNFDKT-QWHCGFSZSA-N 445.532 4.069 10 20 IICD CC(C)N(Cc1ccccn1)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807956472 OEDVCACYPGBPGF-SFHVURJKSA-N 442.991 4.025 10 20 IICD O=C(CSc1nnc(O)n1C[C@H]1CCCO1)Nc1ccc(N=Nc2ccccc2)cc1 844263073 VLLGVVRITMGNHX-GOSISDBHSA-N 438.513 4.309 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 914506232 YWXNTTBHPDRVKY-UHFFFAOYSA-N 436.581 4.441 10 20 IICD Cc1cc(C)c(NC(=S)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1 917595631 FKIUAMALAOBRTB-KRWDZBQOSA-N 431.005 4.145 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1 917715421 QPWSBOWLIWMGSI-HZPDHXFCSA-N 436.474 4.290 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 918182874 FJTVWELUVOFGBZ-AWEZNQCLSA-N 425.426 4.242 10 20 IICD CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918309429 ZERMVDGFNVKIFZ-UHFFFAOYSA-N 437.584 4.367 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccccc3NS(C)(=O)=O)c2C)c1 918572913 BFIVQSPSDYMCQD-KRWDZBQOSA-N 425.554 4.265 10 20 IICD CCOc1ccc2c(c1)CN(C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CC2 1318092180 WOHQZSKUNWCQKL-HDICACEKSA-N 441.547 4.106 10 20 IICD C[C@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 1319766846 HQWNYCOBUVSIST-ICSRJNTNSA-N 427.976 4.132 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)cc1 1327636708 OCSKIXOWAHCJRC-UHFFFAOYSA-N 439.921 4.040 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C3)cc1 1800512416 UAAIBQWWSUHARJ-NWYALFIFSA-N 431.580 4.392 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2[C@@H]4C=CS[C@@H]24)C3)cc1 1800514017 CVVMEUBVPGYRKU-WWJHYOKWSA-N 447.604 4.221 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1cccc(Cl)c1 19052474 KSUFHMYELOLVGU-UHFFFAOYSA-N 429.977 4.093 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)c2C)cc1F 58104525 GFYZWVJWCMCNJW-UHFFFAOYSA-N 434.427 4.043 10 20 IICD O=C(Nc1ccc(NC(=O)c2nccnc2Sc2ccccc2)cc1)C1=S=CC=C1 544095652 BKJHOXNFYXKSSR-UHFFFAOYSA-N 432.530 4.096 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)ccc21 553564544 SSHBZRONMNKRLM-CALCHBBNSA-N 427.589 4.012 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1Br 726196960 HZEJCLUUTONHRV-WJDWOHSUSA-N 435.368 4.297 10 20 IICD Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1I 727987615 XUWOXLJZAJECKK-UHFFFAOYSA-N 434.321 4.470 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)ccc21 728640240 WNOCUMICYYUFBE-GOSISDBHSA-N 437.540 4.155 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 728755148 XUOCCGYNUZMYRJ-VWLOTQADSA-N 434.628 4.383 10 20 IICD CCc1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)nn1-c1c(Cl)cccc1Cl 728979186 RRWIUWAHVUCNSN-NSHDSACASA-N 435.311 4.342 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2F)CC1 730133463 TZCRMWTVTIUXEQ-JOCHJYFZSA-N 428.527 4.153 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 734468114 MLEJOSSTAZVNMY-DEOSSOPVSA-N 446.551 4.269 10 20 IICD CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 735931164 VZZDBIFQXSLVIB-OAQYLSRUSA-N 433.552 4.084 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)CC2)cc1 737026889 INYIISTYYKVUEB-UHFFFAOYSA-N 439.556 4.291 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc(-n4cccn4)c3)c2C)c1 740342861 WAHVMBGNBYGTIU-UHFFFAOYSA-N 446.532 4.436 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)cc2)CC1 742071969 XLENRCULXZVUAN-HHHXNRCGSA-N 433.596 4.482 10 20 IICD CCn1cc(Br)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742802306 WZNYSDAJMFKBQB-AWEZNQCLSA-N 442.304 4.271 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 742802324 XBETWTTUODLZAM-CQSZACIVSA-N 431.395 4.341 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)c(F)c1 743046088 OSKOTGJMALWQEL-UHFFFAOYSA-N 445.419 4.126 10 20 IICD O=C1CSc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 743082169 OBPQMMXZWBUDNU-CQSZACIVSA-N 448.495 4.123 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc(OC)c1OC 743281952 HXJWHRFHFDKZGR-IYSPOMMRSA-N 443.546 4.437 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccccc2OC)on1 743807612 FLIWFLSWWGZNNO-UHFFFAOYSA-N 431.286 4.481 10 20 IICD Cc1cc(C(=O)N2CCC(OCCN3CCCC3)CC2)c(C)n1-c1ccc(Cl)cc1 744761019 ZDOAQUMSGCWTAF-UHFFFAOYSA-N 429.992 4.465 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(Cc2ccccc2)c1 746032334 ZYDGQBAGVUVXHV-UHFFFAOYSA-N 429.318 4.454 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 746206546 LGKQBEKACHNMDZ-LJQANCHMSA-N 425.529 4.134 10 20 IICD CCCCn1ncc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C 746382139 PIRNQTKSDIESCW-UHFFFAOYSA-N 425.577 4.015 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1)c1ccccc1 749190822 NHKUHPVCSVHXCI-RUZDIDTESA-N 448.611 4.271 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Nc3ncccn3)c2)cc1 751405236 JRCFLVYAJMHQRX-QHCPKHFHSA-N 431.540 4.108 10 20 IICD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753640016 GLASAVBESFHBOJ-LBPRGKRZSA-N 448.350 4.497 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2cccc(F)c2F)CCCC1 755298564 SYILDTHVANVNLE-UHFFFAOYSA-N 443.538 4.455 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@@H]1c1cccc(Br)c1 761223629 LGLXPDXNIREXDD-HZPDHXFCSA-N 435.705 4.128 10 20 IICD Cc1cc(-c2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)ccc1NC(=O)C1=S=CC=C1 761609854 BELOCOFHTLQAAU-UHFFFAOYSA-N 427.489 4.318 10 20 IICD COCc1ccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)o1 764411621 MQUAYRZCXLUWSW-DEDYPNTBSA-N 428.579 4.292 10 20 IICD CC(C)(C)OC(=O)NCc1cccc(C(=O)NCc2cccc(Br)c2O)c1 765769552 MPTOWVHTVUZBBE-UHFFFAOYSA-N 435.318 4.109 10 20 IICD Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 768225075 CJCGDGPIKAXPHQ-UHFFFAOYSA-N 425.341 4.128 10 20 IICD Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769310333 AQMZCIJBYNHGJX-PKTZIBPZSA-N 429.992 4.245 10 20 IICD COc1ccc(C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)c2ccc(OC)cc2)cc1 774942660 REAMTWFVDNAFIN-OAQYLSRUSA-N 438.480 4.400 10 20 IICD C[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccc(N2CCOCC2)cc1 775259196 GYBBIZNEKBDJGJ-ZDUSSCGKSA-N 449.374 4.248 10 20 IICD CC[C@@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)ccc1O 775546463 ITTIOEADRKMHEY-PZJWPPBQSA-N 433.390 4.352 10 20 IICD COc1ccc(SC)c(OC)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 775664295 KFHBXJVBVFJUON-GJZGRUSLSA-N 448.560 4.108 10 20 IICD COc1ccc(N2CCN(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1F 776945246 SUBBFTKFHPOAMT-KRWDZBQOSA-N 425.426 4.012 10 20 IICD CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 777708097 LYKAUSQRLAJYFU-MSOLQXFVSA-N 449.592 4.053 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1O 779020881 ZUVQPTNXULBBCV-OXJNMPFZSA-N 431.374 4.347 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(C)c1F 782927796 ZRXVDRHMZJCOEU-UHFFFAOYSA-N 444.513 4.253 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 783316840 OMAHPLYITBGSIR-UHFFFAOYSA-N 436.325 4.030 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)sc1Cl 788840524 AGZMZBGWFBHXNP-UHFFFAOYSA-N 449.000 4.038 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)CC)nc3)SC2=S)cc1 790106352 DUCGVQZIEHMVRT-ATVHPVEESA-N 427.551 4.120 10 20 IICD Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N(C)Cc1ccccc1O 791089599 NTTUFRLLCSAVDI-UHFFFAOYSA-N 443.500 4.304 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1ccc(C)c(C)c1 791249955 NSHPOHBJAVYPLO-UHFFFAOYSA-N 426.557 4.461 10 20 IICD Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 792049768 FNKIUFNYNHPBOW-NBGIEHNGSA-N 430.552 4.376 10 20 IICD CN(C)c1ccc([C@@H](CNCc2cnc(C(C)(C)C)nc2)NC(=O)OC(C)(C)C)cc1 793587998 XXJHBHFGMPFJKT-HXUWFJFHSA-N 427.593 4.196 10 20 IICD COc1cccc(C(=O)CCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 794278095 FRLBKVQDWSWCHR-UHFFFAOYSA-N 446.494 4.435 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(Br)c1 794682438 VDQYPBRRZGCMHZ-OVCLIPMQSA-N 443.432 4.247 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 797627357 ARWVYOWQNZQUNJ-HNNXBMFYSA-N 429.517 4.217 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1 799202752 BYSHYFDMSKTWIU-LDADJPATSA-N 427.503 4.040 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 801547909 FASAJGRHHZUEDB-UHFFFAOYSA-N 427.526 4.374 10 20 IICD Cc1c([C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C(C)C)oc2ccccc12 803664753 QPEFXASVEHYBRA-NRFANRHFSA-N 425.504 4.076 10 20 IICD CCN(CC(=O)N1CCCCCC1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807389337 GNMHXMVQMPPHOL-UHFFFAOYSA-N 435.528 4.292 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H](c4ccccc4)OC3=O)cc2Cl)C1 809802634 CZHOLYRLFSOPBE-ZWDAVXSWSA-N 426.944 4.497 10 20 IICD CC(C)OCc1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 811869582 RUGCVKLWDYSIGC-QGZVFWFLSA-N 429.565 4.324 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)cc(OC)c1OC 812930711 UBLBXXYOLGFUFS-NRFANRHFSA-N 431.577 4.047 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCSc1ccccc1)c2[N+](=O)[O-] 821992478 WHUVYHOGUIWVJE-UHFFFAOYSA-N 446.484 4.282 10 20 IICD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)c1 916144738 WLKPWDQYDUGDAZ-JOCHJYFZSA-N 433.596 4.413 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(OCc2ccccn2)c1 916387329 JKEQKHUKCCRGGQ-UHFFFAOYSA-N 448.592 4.213 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 916502678 SNSCSFAKOKKZFH-UHFFFAOYSA-N 440.547 4.221 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C 917074861 IHTSUOOLHQYWCS-UHFFFAOYSA-N 447.627 4.141 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OCc2cccs2)c1 917708135 HDIOMGMRYQSZOQ-UHFFFAOYSA-N 426.513 4.233 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 917926557 YHDUXHRKTPZCQY-UHFFFAOYSA-N 447.494 4.004 10 20 IICD Cc1sc2nc(CS[C@H](C)C(=O)Nc3c(Cl)ccc4nonc34)nc(O)c2c1C 1342951346 LXKYEASCORWNFH-SECBINFHSA-N 449.945 4.464 10 20 IICD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673642 AXQWVMZRWJCINJ-OIUYUKGDSA-N 442.519 4.046 10 20 IICD Cc1cc(-c2csc(COc3ccccc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16941504 CDILKVCFEXCVEL-UHFFFAOYSA-N 439.562 4.444 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)CC2)cc1 110421992 CFPLRPUGIHIHEK-UHFFFAOYSA-N 437.584 4.424 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1F 303338917 LDIUXEJWOBQFCU-UHFFFAOYSA-N 444.526 4.045 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565479 PKSLMXVZWWBFHX-UHFFFAOYSA-N 443.498 4.321 10 20 IICD CCOc1ccc(OCC)c(NC(=S)NC2CCN(c3ccc(OC)cc3)CC2)c1 726908079 HHASQBDRHRYAGV-UHFFFAOYSA-N 429.586 4.448 10 20 IICD C[C@@H](NC(=O)N(CCc1ccccc1)Cc1ccncc1)c1ccc(N2CCOCC2)cc1 727032296 ISDIIFUDLSVCGX-JOCHJYFZSA-N 444.579 4.434 10 20 IICD NC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)s2)SC1=S 727176442 RZLCHXXNVOTUOH-AWNIVKPZSA-N 429.375 4.408 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2C)cc1 727243899 JDPWIJBWIXOOPP-UHFFFAOYSA-N 432.523 4.089 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 728978333 PFZVSSXTSRFXKR-GHMZBOCLSA-N 428.710 4.461 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 730119137 HLCGVSDKDNYBOY-GOSISDBHSA-N 432.609 4.368 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)N(Cc1ccco1)Cc1ccccc1O 730139253 KEOIMMFLYUVQNT-GOSISDBHSA-N 427.451 4.254 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 731017105 WNCLMDXJIQXLDV-UHFFFAOYSA-N 449.624 4.475 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 731282337 MUPZZDGVNCVOIX-HSZRJFAPSA-N 437.584 4.499 10 20 IICD COc1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)c1OC 733334339 HEOGLTHZNZOCMB-QGZVFWFLSA-N 425.356 4.470 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 733643904 ANKYXIICOAIMJN-OAQYLSRUSA-N 438.616 4.232 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 741097161 MXBOCTDXXWUEFX-UHFFFAOYSA-N 445.494 4.036 10 20 IICD COC(=O)Nc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743107344 CDSHBGYLVMECKC-INIZCTEOSA-N 434.443 4.257 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1 743283430 BELCBVRTNNURCO-KNGGAZFVSA-N 425.575 4.471 10 20 IICD CCc1nsc(N2CCCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)n1 743411619 ULPHKPWLWRVMDK-UHFFFAOYSA-N 447.402 4.434 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cc2F)C[C@@H](C)O1 743554331 BDCKOLRIARPOTP-CALCHBBNSA-N 441.547 4.023 10 20 IICD COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 746479285 NPHIXSLDCXPHFV-UKILVPOCSA-N 445.519 4.409 10 20 IICD O=[N+]([O-])c1cc(CNCCC2CCN(CC(F)(F)F)CC2)ccc1N1CCCCC1 749120763 WRFAYGMWIYBBHZ-UHFFFAOYSA-N 428.499 4.339 10 20 IICD CC(=O)c1cccc(OC[C@H](O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 749165798 JINDEJXHOYISEU-HXUWFJFHSA-N 439.533 4.168 10 20 IICD CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 750324603 KDNYXGUYSSPXRJ-UHFFFAOYSA-N 425.548 4.357 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1 752622692 WRAFWPOWWDEEKK-JLTOFOAXSA-N 433.346 4.178 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)CC2)cc1 752935930 XOPREDQZXJZRGT-RUZDIDTESA-N 437.584 4.097 10 20 IICD CC(C)(C)OC(=O)NC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCC1 753334987 IXHYBTIGSQKXNG-UHFFFAOYSA-N 429.517 4.144 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 753556300 ISBMEZXEMFCYCB-LJQANCHMSA-N 435.528 4.445 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ccccc3OC(F)(F)F)CC2)cc1F 753738137 MCKGCMVSGUIYLZ-UHFFFAOYSA-N 426.410 4.014 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3csc(-c4cccc(C)c4)n3)CC2)cc1F 753741522 IUGAQTKUDYHODZ-UHFFFAOYSA-N 425.529 4.158 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)ccc21 754534265 DMEWPFOOVCQVNA-FQEVSTJZSA-N 444.512 4.157 10 20 IICD O=C(c1cccc(I)c1O)N(Cc1ccco1)Cc1ccccc1O 755492615 IHNZUMKDOOLNOQ-UHFFFAOYSA-N 449.244 4.138 10 20 IICD O=C(Nc1cccn(Cc2ccccc2)c1=O)N(Cc1ccco1)Cc1ccccc1O 755857222 WXSWCPCCLRMSPP-UHFFFAOYSA-N 429.476 4.430 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(-c2c(F)cccc2F)c1 756949234 HFQOGWACDIWRLU-UHFFFAOYSA-N 442.487 4.119 10 20 IICD CN(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 759594897 NZWCMVJMZKJWCI-RARRKCLYSA-N 435.451 4.041 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1Br 759646658 ODLLSGSAWXYWLG-UHFFFAOYSA-N 425.348 4.249 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1c(Cl)ccc(Cl)c1Cl 761432339 ZIJJTWCUXZZDRO-UHFFFAOYSA-N 433.744 4.134 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Br)c(Cl)c3)c2)CC1 763408182 PRDIJZYVARZFCP-UHFFFAOYSA-N 436.737 4.057 10 20 IICD CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 763416015 FEWRLAMDNVIKQQ-UHFFFAOYSA-N 430.526 4.125 10 20 IICD CCCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccc(C)cc1 764661319 AKEVOICDGIHFGI-GOSISDBHSA-N 433.556 4.015 10 20 IICD CC[C@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccc(N(C)C)cc1 765471389 DHIDZLCOOLFFTG-DEOSSOPVSA-N 429.630 4.256 10 20 IICD C[C@H](NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 773081422 RDRVYRJXUMGWGO-DLBZAZTESA-N 440.481 4.183 10 20 IICD COc1ccc(-c2ccncc2)cc1/C=C1\SC(=S)N(c2ccc(C(N)=O)cc2)C1=O 773899461 OAMNMHUXDLYJAH-MOSHPQCFSA-N 447.541 4.262 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 774922022 FXJVDRBTOZQZCA-MRXNPFEDSA-N 435.490 4.386 10 20 IICD C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)NCc1cccc(Br)c1O 775144939 GDFYNFFBFJGJOE-AWEZNQCLSA-N 431.330 4.099 10 20 IICD Cc1ccc([C@H](NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c2cccs2)cc1 775261291 UTIXLEKFXCIJCY-IBVKSMDESA-N 449.620 4.450 10 20 IICD COc1cccc(CC(=O)N2CCc3ccc(NCc4cc(OC)c(OC)cc4O)cc32)c1 777497047 SNZQYNSRNTWZRI-UHFFFAOYSA-N 448.519 4.162 10 20 IICD C[C@H](NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(N2CCOCC2)cc1 779875178 TWCADZYUMJATPB-AWEZNQCLSA-N 429.492 4.416 10 20 IICD COc1cc(-c2ccccc2)ccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 781411168 CHYARIZVBVVPPN-XMMPIXPASA-N 429.564 4.354 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C(C)C 783318549 YCNZJMYHOCAURU-UHFFFAOYSA-N 427.593 4.104 10 20 IICD CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 790409950 XRIOUMKNXFSYIF-UHFFFAOYSA-N 437.411 4.009 10 20 IICD C[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC(=O)OC(C)(C)C 792377838 XUADTWQTWUTBOF-HNNXBMFYSA-N 425.489 4.070 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCOCc3ccccc3)cc2F)C[C@H](C)O1 798373103 RDKXELJYGAKBGE-PMACEKPBSA-N 443.563 4.188 10 20 IICD CSc1ccccc1[C@H](C)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 799339591 RJPPDPQANWLTOB-BZSNNMDCSA-N 445.604 4.128 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 802125531 ACQFEFXSEWYDBV-UHFFFAOYSA-N 442.579 4.185 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)CC2)cc1 813856107 XBBRICZEFAPYTC-HFZDXXHNSA-N 441.591 4.104 10 20 IICD Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c12 844271161 VKFATUCMGQVPGG-OAQYLSRUSA-N 447.583 4.042 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1 917006072 KFRKDGJZSYGAIX-IXFSTUDKSA-N 443.538 4.032 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1ccccc1)c1ccc(F)cc1 918217022 XBPHEHGDYYZBPY-XMMPIXPASA-N 437.490 4.390 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293595 APKDXKHZPPQHOV-UHFFFAOYSA-N 449.507 4.056 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 920662353 NHMIHCJQIZMQJT-MRXNPFEDSA-N 428.920 4.282 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(C)c4ccccc43)cc2Cl)C1 1256594722 OHPMIFKTUIADFC-QFBILLFUSA-N 425.960 4.343 10 20 IICD CCn1nc(-c2nnc(-c3ccc4c(c3)c(C)c(C)n4CCOC)o2)c2ccccc2c1=O 1345624300 PGDUPPFHCOXKSI-UHFFFAOYSA-N 443.507 4.351 10 20 IICD O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] 57642399 ZJKGDUNIDLJOMP-UHFFFAOYSA-N 425.466 4.073 10 20 IICD Cc1cc(CSc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)on1 105143721 SSLPVSTVXHGRAX-UHFFFAOYSA-N 437.565 4.384 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)cc(Br)c2)cc1 303106503 JTOGFWVMWYITIU-FQEVSTJZSA-N 435.337 4.476 10 20 IICD CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726246608 WQYOXZBJZVGVAV-LJQANCHMSA-N 443.544 4.487 10 20 IICD COc1ccc(N2CCC(NC(=O)CCCOc3ccccc3Br)CC2)cc1 726561877 WZQOFQJUWWIWJI-UHFFFAOYSA-N 447.373 4.402 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)n2)cc1Cl 727245363 JXRAHCNVGDBNOS-UHFFFAOYSA-N 446.941 4.459 10 20 IICD CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728638686 GTBIDEQAURRJGQ-UHFFFAOYSA-N 436.508 4.293 10 20 IICD CCOc1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C(C)C)cc1 729048755 CSNRNWXLWSNEPG-UHFFFAOYSA-N 429.536 4.181 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 729535187 MDYDHIGDTAWODF-KRWDZBQOSA-N 428.492 4.199 10 20 IICD CC(C)(C)n1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(-c2ccccc2Cl)n1 731211436 XOUXQTROAIXITN-RIYZIHGNSA-N 435.958 4.244 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1F 731363802 ALSDXDNVMBGHLD-NRFANRHFSA-N 427.499 4.133 10 20 IICD O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 731858408 KZPYIDAJFNDNFI-HSALFYBXSA-N 430.342 4.466 10 20 IICD O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 735606911 CRGZGNHXGYSCLR-UHFFFAOYSA-N 440.424 4.300 10 20 IICD C[C@@H]1SCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)[C@H]1C 735643434 BCPLJERDMGJJFY-GJZGRUSLSA-N 444.578 4.112 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(-n4cccn4)n3)c2C)cc1 736933593 DREXPWFIUBUXOD-UHFFFAOYSA-N 444.491 4.113 10 20 IICD CCO[C@H](C)c1nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)cs1 736945789 SBARLVYKKJWPJW-QGZVFWFLSA-N 446.594 4.446 10 20 IICD Cc1cc(Br)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1 742283994 OYJAXIPDMFYCBP-UHFFFAOYSA-N 429.405 4.288 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NCc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)cc1 742384472 DNTDQNRNFAHTBY-QGZVFWFLSA-N 442.466 4.165 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OC)c(N4CCOC4=O)c3)ccc21 742953503 PFXSCXOEHHCSQB-UHFFFAOYSA-N 437.496 4.122 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1 743554849 MPARJPLZRGPCSC-GLDPYIMESA-N 441.547 4.031 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(C2SCCS2)c1 743957865 DVXYNMJPTVBWSF-UHFFFAOYSA-N 428.579 4.005 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN(C)Cc1ccccc1 745349387 HEPWBSNCUDSXHK-UHFFFAOYSA-N 434.378 4.208 10 20 IICD CN(CCOc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905620 PDVSKFQINAFYFF-QGZVFWFLSA-N 437.462 4.116 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl 749731557 SLSBPURVEUQGER-UHFFFAOYSA-N 427.979 4.068 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)CC2)cc1F 753880560 YKRZNAGRKQYVPF-UHFFFAOYSA-N 440.441 4.273 10 20 IICD COc1cc(N2CCN(C(=S)Nc3cccc(C(C)C)c3)CC2)cc(OC)c1OC 758914106 ANDHZXDYBMVJBG-UHFFFAOYSA-N 429.586 4.355 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4ccc(C(C)C)cc4[nH]3)CC2)cc(OC)c1OC 760085639 GPOPNSHSLORCHA-UHFFFAOYSA-N 437.540 4.280 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3cccc(N4CCOCC4)c3)cc2F)C[C@@H](C)O1 765126653 LNZUMMCQOIINOK-HSALFYBXSA-N 427.564 4.127 10 20 IICD O=C(CCCNC(=O)NCc1cccc(Br)c1O)Nc1ccc(Cl)cc1 765465656 LSURCJDTXBJLSD-UHFFFAOYSA-N 440.725 4.026 10 20 IICD COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 765680689 YYLDKKQPHTVXPQ-GASCZTMLSA-N 435.927 4.101 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c(C)n1-c1cccc(C(C)C)c1 770173265 LTHUTNBBZAUNTI-HSZRJFAPSA-N 444.535 4.220 10 20 IICD C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1c1nccn2cnnc12 771445935 JOCUAUTZGWGVJL-QGZVFWFLSA-N 441.499 4.282 10 20 IICD CCOc1ccc(C2(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCOCC2)cc1 773244919 JBPIUAOUUOAKKS-LJQANCHMSA-N 425.573 4.260 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1O 775069633 FPUIOKIVTZANSH-HNNXBMFYSA-N 425.510 4.328 10 20 IICD O=C1[C@@H](NCc2cccc(Br)c2O)CCN1c1ccccc1C(F)(F)F 775318478 INOMPHWLLOKUTC-AWEZNQCLSA-N 429.236 4.069 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 775429969 LCBKVOMNUPNKRZ-IBGZPJMESA-N 433.503 4.143 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](CC)c1cc(Br)ccc1O 775523638 LFNXTLHNNCVFFZ-YJBOKZPZSA-N 426.376 4.448 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 779160540 FIOOLNJXRGJEEV-HKUYNNGSSA-N 432.565 4.320 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 781309860 KQJGCRXPSQGWSU-IBGZPJMESA-N 444.531 4.254 10 20 IICD C[C@@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1ccc(N2CCOCC2)cc1 787064298 LNPWLTZHHIWXHH-MRXNPFEDSA-N 440.544 4.346 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2)c1ccc(N(C)C)cc1 789744178 OFEGYKLVOVAIID-ZBFHGGJFSA-N 428.602 4.176 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc([S@](C)=O)cc3)c2C)cc1F 797917778 DFFCCUQJIRRQDC-HKBQPEDESA-N 441.524 4.248 10 20 IICD CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1C 800635875 AGKVWADXSOIRQI-HOTGVXAUSA-N 445.995 4.307 10 20 IICD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807287701 MHOSCRSZKKHBSE-IAGOWNOFSA-N 445.485 4.006 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 808501129 IBDXMSKHZFWNDX-FQEVSTJZSA-N 435.490 4.219 10 20 IICD CC(C)CS(=O)(=O)N1CCC(N[C@@H](CCc2ccccc2)c2ccccc2O)CC1 815609260 BUYMRRHXBNMFER-QHCPKHFHSA-N 430.614 4.106 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)C2CC2)cc1 918081014 KLNMNBDPKUCJPU-UHFFFAOYSA-N 446.551 4.150 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)cc2Br)cc1 918309525 JEARXOPGPQGHHG-UHFFFAOYSA-N 432.362 4.201 10 20 IICD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C 919566556 SBDXFRPHTDSPMQ-AWEZNQCLSA-N 443.481 4.256 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)cccc2Br)cc1 1116265703 MOLAWEIYGRKBPL-UHFFFAOYSA-N 427.339 4.008 10 20 IICD Cc1nc(-c2ccc(CCNCc3ccc(N4CCN(C)CC4)c(F)c3)s2)cs1 1318366577 BMAQYZBDGLGZEK-UHFFFAOYSA-N 430.618 4.403 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CCCSC2)C3)cc1 1845399558 LKVTXYFKKNLJJQ-NRFANRHFSA-N 437.609 4.054 10 20 IICD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCCCCC1 15688305 YAAGJSUUXFCFAH-CQSZACIVSA-N 439.895 4.063 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc2c(C)cccc2c(=O)[nH]1 22282475 CBESWBFDVACDRE-UHFFFAOYSA-N 434.521 4.178 10 20 IICD O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Br)ccc1Br 28463633 LVOWACGFJZNFEU-UHFFFAOYSA-N 441.528 4.371 10 20 IICD Cn1ccnc1SCc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 97576324 APLBJRBGZYCHTR-NRFANRHFSA-N 437.565 4.239 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 104957336 HXZWACFWAAGAEO-VWLOTQADSA-N 446.595 4.305 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCn3ccc4ccccc43)cc2F)C[C@@H](C)O1 108454733 LMYIVFXZUSGMHA-RTBURBONSA-N 438.547 4.284 10 20 IICD CCN(CC)c1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cn1 544571789 ZBNVXTORINPNRE-UHFFFAOYSA-N 433.537 4.169 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3csc(COc4ccccc4)n3)SC2=S)cn1 726197047 KYWFJFPLVGBMBM-LZYBPNLTSA-N 428.564 4.344 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)c3ccccc3n4C)CC2)cc1 726602230 UOAMDJGYBIWKTK-UHFFFAOYSA-N 449.576 4.287 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@H](N3CCCC3)C2)sc(C)c1-c1ccccc1 727160260 YJXGOUMQYQSMQI-IBGZPJMESA-N 441.597 4.009 10 20 IICD CC(C)c1noc(-c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)n1 728742414 LYVSNSWVJRMFDF-UHFFFAOYSA-N 435.528 4.361 10 20 IICD Cc1nc(COc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cc2)no1 728839403 MMCRWAYMIVZHDD-UHFFFAOYSA-N 448.445 4.228 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1F 731364394 ZOYJCLMKCRVXIH-QGZVFWFLSA-N 434.506 4.276 10 20 IICD CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 731399647 PRVBOTGTSMROQZ-UHFFFAOYSA-N 429.546 4.380 10 20 IICD O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 735516120 JOOINNWSMRGQBF-QGZVFWFLSA-N 447.413 4.282 10 20 IICD COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1O 741282766 MDYJYTBJBYZGSI-GOEBONIOSA-N 436.346 4.236 10 20 IICD COc1cc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc(OC)c1OC 745339395 XLUQXLJSUPZJIE-UHFFFAOYSA-N 428.529 4.463 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OC4CCCCC4)CC3)cc2F)C[C@H](C)O1 747856081 GFOKOROCKYKXRM-OALUTQOASA-N 447.595 4.463 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cnc2ccsc2c1 752194354 CRUMXSHPLIOTNZ-UHFFFAOYSA-N 439.547 4.406 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCC(F)(F)F)CC3CC3)cc2F)C[C@H](C)O1 752363381 VKWRMPHQZPZNRS-GJZGRUSLSA-N 431.474 4.313 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)CC2)cc1 752963689 VZSMEHNRKKNDGF-INIZCTEOSA-N 427.549 4.155 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2O)cc1-n1nnnc1C1CC1 757613555 MQDKQHCKOYCJNP-JTQLQIEISA-N 448.296 4.329 10 20 IICD C[C@]1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCS1 758605957 NBBUYNCVVBTQTH-GPZRYRNASA-N 426.654 4.131 10 20 IICD Cc1ccccc1C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOCC1 761983441 RRSAAFTVKJVLMU-OAQYLSRUSA-N 442.987 4.183 10 20 IICD CCOc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc(Cl)c1O 762583682 CRMQFRGUCFTPQR-UHFFFAOYSA-N 429.948 4.229 10 20 IICD CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cnc21 763261949 UDCBOWBPFGPXIJ-UHFFFAOYSA-N 429.484 4.402 10 20 IICD CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S 764865380 QLFOAFCQULJOAR-UHFFFAOYSA-N 441.576 4.166 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(C(F)F)ccc3Cl)cc2)C1 769010693 NUSWVHTZLSMQOH-HNNXBMFYSA-N 436.890 4.301 10 20 IICD CCN(CC)c1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 769315159 UCAKYQNXCGLSSP-GOSISDBHSA-N 435.568 4.347 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(N(C)C)cc1 773854934 DNFBZYPOKLQUGA-OAHLLOKOSA-N 438.915 4.409 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2)c1 773860063 YIJWZKAQONVWAU-KRWDZBQOSA-N 432.524 4.318 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)c1ccc(N(C)C)cc1 774946650 DOWRURFRFVMHBN-RYUDHWBXSA-N 426.319 4.253 10 20 IICD COc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)ccc1N1CCCC1=O 777543889 GFRRFZWTRDIGKB-MRXNPFEDSA-N 429.948 4.485 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC3 779412518 NOIIOFDAMCTGJI-HXUWFJFHSA-N 432.568 4.012 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)cc2)CC1 786073674 NHOBVBFLWJLVFI-UHFFFAOYSA-N 426.517 4.053 10 20 IICD Cc1nc(Cl)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 788805399 WFMTVZIMVVSKSY-UHFFFAOYSA-N 428.842 4.221 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 789748315 RLABNZHOAYWUBW-CMKODMSKSA-N 440.613 4.488 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2ccco2)nn1C(C)C 789748336 ROGXZQJAWKLGLR-UHFFFAOYSA-N 437.544 4.166 10 20 IICD COCCCC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 792038071 IWPWTTVQCVEAQU-JOCHJYFZSA-N 429.536 4.020 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(Cl)c(F)c1N1CCOCC1 801917360 AGSFBFVCBSLCMA-UHFFFAOYSA-N 430.958 4.076 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 802610384 WVNZOKMZYVFXLS-UHFFFAOYSA-N 427.501 4.422 10 20 IICD CCC(=O)c1ccc(NCc2ccc(N(C)C3CCCCC3)cc2)c(S(N)(=O)=O)c1 804386669 GFEAYDFBUQQNCZ-UHFFFAOYSA-N 429.586 4.308 10 20 IICD CC[C@@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1cccc(Cl)c1O 806145484 KFVZJVRSEAMNLU-HXUWFJFHSA-N 446.975 4.469 10 20 IICD C[C@@H]1Oc2ccccc2[C@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 809337516 FMPIFXFTJCTUTO-BWJCDSJOSA-N 444.603 4.368 10 20 IICD COCC1(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1 812577697 CXXFVLKJKUYYMA-RVDMUPIBSA-N 425.597 4.089 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](O)c3ccc(OC)cc3)CC2)cc1 812877054 QYAKZAAERUGJET-DEOSSOPVSA-N 425.573 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](Sc2cccc(Cl)c2)C1 813600466 QPIDWRSUVCPFNN-NRFANRHFSA-N 431.989 4.253 10 20 IICD O=C1N=C(S[C@@H]2CCN(C3CCOCC3)C2=O)S/C1=C/c1csc2ccccc12 814772136 OMBMTBLJBWTUTR-AUUUKSDWSA-N 444.603 4.385 10 20 IICD COc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456642 KKJHTJUQEQLZMF-UHFFFAOYSA-N 428.838 4.134 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(c2cccc(F)c2)CCC1 916456808 SXXBIRNFVWHVJZ-UHFFFAOYSA-N 436.449 4.419 10 20 IICD CCc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916632526 XGKWDXAXNKHXBQ-UHFFFAOYSA-N 435.490 4.446 10 20 IICD O=C(Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)[C@H]1CCCO1 916678280 VQNIUSNRWFQUCY-JOCHJYFZSA-N 435.480 4.337 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)C1 918024853 CCLWPJNFQIDCQB-QFIPXVFZSA-N 428.536 4.377 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 918234321 GLICUQPVRYBQJF-UHFFFAOYSA-N 428.527 4.029 10 20 IICD COc1ccc(CCC(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)cc1 921055961 LSIFUYHYQWJRCG-UHFFFAOYSA-N 448.563 4.303 10 20 IICD COc1ccccc1C1(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1 1116076516 DSEHWRPWFVOACX-ROUUACIJSA-N 441.547 4.327 10 20 IICD C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 1343058209 ORNNQWTVIYPGAO-HNNXBMFYSA-N 429.927 4.132 10 20 IICD COc1ccc(N2CCN(CCCNC(=S)Nc3c(C)cc(C)cc3Cl)CC2)cc1 15155715 FCAPGPIMPBVHEN-UHFFFAOYSA-N 447.048 4.464 10 20 IICD Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 71793948 UGGXUAZJCDJFKY-UHFFFAOYSA-N 449.475 4.361 10 20 IICD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 104914388 RZFKMBSDNAKCEV-UHFFFAOYSA-N 435.524 4.212 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1ccc(Br)cc1 302980387 CXCLFFYOWJHVKC-YADHBBJMSA-N 443.385 4.078 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)Nc4ccc(C)cc4)CC3)ccc21 461609699 LETNQGUUJWRFNF-UHFFFAOYSA-N 448.567 4.203 10 20 IICD COc1ccc([C@@H](CNCc2cc(-c3ccccc3)ccc2O)N2CCOCC2)cc1OC 725841523 GDEWCEKAQNAHQI-XMMPIXPASA-N 448.563 4.240 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(C(F)(F)F)n1)c2[N+](=O)[O-] 726149312 HCENUVRVBCROBV-UHFFFAOYSA-N 441.321 4.036 10 20 IICD CC(=O)NC1CCC(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 726166974 WKVIVVREJGKHMG-UHFFFAOYSA-N 432.362 4.034 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)SC2=S)cn1 726196769 AYHGAKLMIGGMKO-WQRHYEAKSA-N 443.554 4.207 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccccc3OCC(F)(F)F)CC2)cc1 726611042 OLERWAISEIEHQA-UHFFFAOYSA-N 437.462 4.105 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCOc2ccc(F)c(F)c2)cc1 730128819 FMDDEDHMFWKJCX-UHFFFAOYSA-N 429.467 4.415 10 20 IICD COc1cccc(NC(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1 731036110 FJSNHQSYPJYTIQ-UHFFFAOYSA-N 425.529 4.111 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1 732478521 WAUZPUZFFCALOI-QGZVFWFLSA-N 434.492 4.104 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 734404548 JZPPXRZUIXOEIN-UHFFFAOYSA-N 431.374 4.188 10 20 IICD Cc1ccc(C)c(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742749474 HJUKSYNOGIYFJO-QFIPXVFZSA-N 425.573 4.294 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 742804751 BDDWNUIYMZMGSO-ZDUSSCGKSA-N 425.819 4.248 10 20 IICD O=C(Cc1coc(-c2cccs2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805420 KDGIKCOVPPFVAZ-AWEZNQCLSA-N 433.480 4.332 10 20 IICD CCOC(=O)c1c(NC(=O)CNc2ccc3c(c2)C(=O)NC3)sc(C)c1-c1ccccc1 746690080 JXBBUARBARQLKX-UHFFFAOYSA-N 449.532 4.194 10 20 IICD Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)N2CCCC2)cc1 747306144 UHAKFBUNPNLNPX-DNQXCXABSA-N 437.584 4.228 10 20 IICD C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 747384698 PLMCFEAVWNVYKQ-RVHYNSKXSA-N 429.358 4.267 10 20 IICD CCN(C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1)CC(F)(F)F 747935400 QVRXXSDKQFRQGK-SFHVURJKSA-N 437.506 4.449 10 20 IICD O=C(NCCCNC(=O)c1cccs1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 749043450 OPZJBUDVPQUHJG-UHFFFAOYSA-N 435.509 4.038 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1F 752171811 YFXZRUQXPXOMFB-UHFFFAOYSA-N 443.563 4.367 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCC[C@H](c2ccccc2)C1 753383577 PLNHOJRWIYHWLT-LEWJYISDSA-N 425.548 4.312 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 753637376 UKPHLFHJRNFBSW-GFCCVEGCSA-N 430.913 4.426 10 20 IICD C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCCC2)cc1 757675611 MXVRKXURYYCMEW-SFHVURJKSA-N 431.558 4.100 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)CC2)cc1 758074330 SBQRAOWMNSLERU-UHFFFAOYSA-N 448.571 4.364 10 20 IICD CC[C@@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1cccc(Cl)c1 759221931 RTXGAPLTFILJII-LJQANCHMSA-N 447.963 4.349 10 20 IICD CC[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Br)ccc1O 760032625 WUZVEXYFTILFKJ-HNNXBMFYSA-N 432.767 4.453 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O 761710136 KVTJUSPLJFILKF-UHFFFAOYSA-N 426.391 4.261 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCOc2ccc(Cl)cn2)cc1 761779711 UAVCVJJPSFNQCO-UHFFFAOYSA-N 428.920 4.185 10 20 IICD CN(c1ccc(CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1)C1CCCCC1 762275803 QYEPJJSJSBYEDP-NRFANRHFSA-N 426.605 4.046 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 762991063 UQCPBLQBSPWHFI-CYBMUJFWSA-N 430.411 4.076 10 20 IICD C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1Cl 764928031 PGLHJHZIGKXQQS-CQSZACIVSA-N 429.870 4.364 10 20 IICD CC(C)O[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 766104824 OAMNAAMJHGIZEN-RBUKOAKNSA-N 425.520 4.148 10 20 IICD CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[C@H]1NC(=O)OC(C)(C)C 769482332 CKXONPINROXOTE-CZUORRHYSA-N 443.382 4.289 10 20 IICD CS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 771439352 HDWFUXRMMCALEC-UHFFFAOYSA-N 437.477 4.301 10 20 IICD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 773849163 XGNWEENAAKCMJV-GOSISDBHSA-N 433.556 4.186 10 20 IICD COc1cc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)ccc1OCC(=O)N(C)C 774150206 KILAECTWFQPYMK-LBPRGKRZSA-N 427.328 4.025 10 20 IICD COc1cc(Br)cc(CN2CCC(O)(c3ccccc3Cl)CC2)c1O 775133433 QOSFSPACFWWZNV-UHFFFAOYSA-N 426.738 4.300 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 775195213 QKRHNZPXRZKEGO-QHCPKHFHSA-N 435.955 4.270 10 20 IICD C[C@H](NC(=O)Nc1ccc(F)cc1I)c1ccc(N(C)C)cc1 775664424 XHQRETRKTUAVAK-NSHDSACASA-N 427.261 4.379 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 777981934 OAXKYGCOILRIRQ-UHFFFAOYSA-N 431.361 4.344 10 20 IICD C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1 782895712 DOXJKZWBXVPBGL-IBGZPJMESA-N 446.551 4.498 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(\C)c3ccc(C(F)(F)F)cc3)cc2)CC1 786259429 PMYAAWWHRRKWBT-BMRADRMJSA-N 445.485 4.094 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 797649294 UTRFMHRWXSSPSP-RHSMWYFYSA-N 434.920 4.452 10 20 IICD C[C@@H](NC(=O)C(C)(C)c1ccccc1Br)c1ccc(N2CCOCC2)cc1 798408742 FNFWUIJKSCJIOS-MRXNPFEDSA-N 431.374 4.441 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 799186848 IAMOYFPNUGFIHV-UHFFFAOYSA-N 443.550 4.203 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3S(C)(=O)=O)cc2Cl)C1 800517742 RDQUACPDMZHJMG-OAHLLOKOSA-N 435.977 4.302 10 20 IICD CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800571616 LGVZCIRELDQSQT-XDHUDOTRSA-N 439.987 4.166 10 20 IICD Cc1cc(-c2nnc(N3CCC(OC[C@@H]4CCCO4)CC3)n2C)c(C)n1-c1ccccc1 800731538 IVRHWBSGRMIWLN-QFIPXVFZSA-N 435.572 4.054 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806841383 YNWAQKVCPBUEFC-UHFFFAOYSA-N 425.838 4.214 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 806846130 DJGTVZCZXYXFAY-UHFFFAOYSA-N 426.542 4.073 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC[C@H](O)CC2)sc(C)c1-c1ccccc1 815298767 AIWOWISVQSWONO-SFHVURJKSA-N 430.570 4.076 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])c1 817966058 ZWJFEVPSNUXZOU-UHFFFAOYSA-N 425.875 4.181 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1cccc([N+](=O)[O-])c1 913360064 HKBNSRIXCKTPNV-WJDWOHSUSA-N 448.547 4.381 10 20 IICD O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 916662774 CYFYCQDYERTNTC-UUASQNMZSA-N 436.308 4.289 10 20 IICD CSc1nc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2s1 916669073 VHMBXVDQQDQKHM-UHFFFAOYSA-N 446.573 4.440 10 20 IICD CC(C)n1ncc2cc(NC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cnc21 916680998 FFBUKQWISUKVRO-HZPDHXFCSA-N 440.523 4.087 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 917313643 YSCMZZDKHCLNFI-UHFFFAOYSA-N 429.270 4.272 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 917709043 KYONIPBFBVDROH-GASCZTMLSA-N 438.902 4.317 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4cccc(F)c4)no3)cc2F)C[C@@H](C)O1 917715934 ZRBXTLWBZHHTMG-HUUCEWRRSA-N 427.451 4.163 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 917906897 MMRMLSNVGHTSDJ-UHFFFAOYSA-N 443.550 4.136 10 20 IICD Cc1cc(C)n(CCCNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1 917919086 HEGYTHULTMCEML-UHFFFAOYSA-N 429.362 4.490 10 20 IICD CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918117203 IMTHYVCZPHPMRW-KRWDZBQOSA-N 449.382 4.037 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1 918250593 QPRZUHGXDGMQNJ-UHFFFAOYSA-N 429.442 4.410 10 20 IICD Cc1cc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 918586303 VMRHJEKOFGOCOM-QHCPKHFHSA-N 436.899 4.054 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919792041 MRQXEMNWXBLZGR-UHFFFAOYSA-N 448.567 4.094 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 1319949906 NRDYSALDFKWYPM-QGZVFWFLSA-N 427.854 4.031 10 20 IICD Cc1cccc(-n2c(C)cc(-c3nnc(-c4cccc(S(=O)(=O)N(C)C)c4)o3)c2C)c1 1328069830 GQPGXBDGZVZDKL-UHFFFAOYSA-N 436.537 4.370 10 20 IICD CCc1ccnc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c1 1845398481 SCGBXZWXPZPHFA-UHFFFAOYSA-N 442.563 4.182 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccoc2Cl)C3)cc1 1845398980 ZSGKSQYVWJOMCA-UHFFFAOYSA-N 437.927 4.471 10 20 IICD Cc1cnc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1 11480995 YSEPDACNWKMJEJ-HNNXBMFYSA-N 429.423 4.222 10 20 IICD COc1ccccc1CNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11646386 KROGTMPFSGBTOF-FQEVSTJZSA-N 437.565 4.146 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cc2F)C[C@H](C)O1 108290455 WSKKTDOOUCVLAQ-IRXDYDNUSA-N 439.556 4.422 10 20 IICD COc1ccc(N2CCCN(C(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1 108430962 MBJUGRDEWPYSFE-UHFFFAOYSA-N 439.537 4.263 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCSc3ccccc3)cc2F)C[C@@H](C)O1 108440524 HDYWKALAUXTDCZ-QZTJIDSGSA-N 431.577 4.421 10 20 IICD Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 108808679 YYALOULVYYJMHV-UHFFFAOYSA-N 437.565 4.350 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 301333106 BZDRXBBVQMMNMC-LBPRGKRZSA-N 445.419 4.065 10 20 IICD COc1ccc(N2CCC(Nc3ncccc3C(=O)N3CCc4ccccc43)CC2)cc1 301357475 MNOOAGDJHLGQAJ-UHFFFAOYSA-N 428.536 4.374 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)n(C)c2ccccc12 472779444 RVXMRFAMWXOMGO-UHFFFAOYSA-N 432.455 4.068 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)n(C)c2ccccc12 472810654 OSCXJKGFKITLMV-UHFFFAOYSA-N 443.551 4.261 10 20 IICD COc1ccc(CCC(=O)N2CCCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1 725774930 DLPYLWMDTJUTMB-UHFFFAOYSA-N 440.584 4.071 10 20 IICD COc1ccc(N2CCC(NC(=O)CCOc3cccc(Br)c3)CC2)cc1 726562580 POUKEKDHJLIADY-UHFFFAOYSA-N 433.346 4.012 10 20 IICD O=C(Nc1ccc(N2CCOC2=O)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726697126 HFBYPGJJEGUDRT-UHFFFAOYSA-N 446.454 4.035 10 20 IICD O=C1/C(=C/c2ccc(-n3ccnc3)cc2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801908 PKLCIRAYJFPSOV-STZFKDTASA-N 449.557 4.087 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COCc2nc3ccccc3s2)cc1 728839478 POWHKTULIKYDBE-UHFFFAOYSA-N 437.487 4.470 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)cc1[N+](=O)[O-] 730072992 JDGLORVYVSEHEO-LBPRGKRZSA-N 431.495 4.151 10 20 IICD COc1cccc(CNC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c1O 730282376 IWYKKCGZZFNMFR-UHFFFAOYSA-N 445.313 4.376 10 20 IICD Oc1cccc(Cl)c1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 733324524 IDPIALUKVBIVJD-UHFFFAOYSA-N 426.923 4.196 10 20 IICD O=C(Nc1cc(Br)ccc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O 737110598 GTSBYASRLUHIPX-UHFFFAOYSA-N 447.260 4.054 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 740919599 CKZNJBLBTNRGNS-QHCPKHFHSA-N 425.960 4.371 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]cc3-c3ccc4c(c3)OCO4)c2C)cc1 742924171 ULXINWBYTDDEIJ-UHFFFAOYSA-N 430.464 4.474 10 20 IICD O=C(c1cc(Br)c2c(c1)OCO2)N(Cc1ccco1)Cc1ccccc1O 743430758 LYKQLSXKWVMUEC-UHFFFAOYSA-N 430.254 4.319 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1F 743598204 JPFVCJPSGJSZNN-OAHLLOKOSA-N 441.507 4.291 10 20 IICD CC(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743974874 JFOZRVVZBUEAAT-INIZCTEOSA-N 431.483 4.135 10 20 IICD O=C(c1ccco1)N1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 745418938 XDWQOMYOSLNDOE-UHFFFAOYSA-N 425.529 4.134 10 20 IICD COc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1 745906063 VNBWZCFKAWTXAG-QGZVFWFLSA-N 449.498 4.116 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 747622292 VEMHJPGOYWHDDA-UHFFFAOYSA-N 446.935 4.366 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 750861326 CXXIRYCIYVCIFZ-UHFFFAOYSA-N 428.488 4.241 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cccc(Br)c2)cc1 750874285 IHHOUSFMKMNPAJ-NRFANRHFSA-N 431.374 4.265 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(CCC(F)(F)F)c3)cc2)C1 753894313 TZWKNWPBLIZPSJ-SFHVURJKSA-N 448.489 4.205 10 20 IICD O=[N+]([O-])c1cc(CNc2cccc(CN3CCC(CO)CC3)c2)ccc1N1CCCCC1 754889767 CMVWEYODYJTKOZ-UHFFFAOYSA-N 438.572 4.402 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cccn(Cc4ccccc4)c3=O)cc2)CC1 755857254 XURSLVVKHJGJBA-UHFFFAOYSA-N 430.552 4.455 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(OCC2CC2)c(F)c1 759344425 HADITTKIFFXWRS-GOSISDBHSA-N 441.547 4.354 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccccc1C(=O)N1CCCCC1 765213259 KRSYVKLCORQPLU-UHFFFAOYSA-N 432.318 4.103 10 20 IICD C[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1Cl 765587854 GTOVCTIJQVXBGT-QGZVFWFLSA-N 438.012 4.474 10 20 IICD CCc1nc(CN2CCC(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)cs1 765912399 WGSWTVSEGLTJQN-GOSISDBHSA-N 446.636 4.244 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 766062982 ZSZKWJXOAUHVDW-SJLPKXTDSA-N 435.490 4.193 10 20 IICD CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CCN(C(=O)OC(C)(C)C)CC1 769089264 VZRHIDBWXMGJSZ-UHFFFAOYSA-N 444.620 4.390 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1 773237261 OCRHPHJSSPDXQT-KSZLIROESA-N 428.552 4.066 10 20 IICD Cc1ccc(-c2n[nH]cc2CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1 773408628 IOHBNMABANBPIC-HXUWFJFHSA-N 439.560 4.400 10 20 IICD C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(Cl)c(Cl)cc1O 774354487 BCKGXXAXBLXQJR-NSHDSACASA-N 433.332 4.229 10 20 IICD CC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Br)ccc1O 775489469 PVDWJBSQKDVOFO-NRFANRHFSA-N 449.389 4.107 10 20 IICD C[C@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1 775728991 PHKOGBOMPYBWDL-KKSFZXQISA-N 429.948 4.451 10 20 IICD COCC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C)o1 778755020 JIYOKJAXFXBBID-LJQANCHMSA-N 437.487 4.235 10 20 IICD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 779507996 AUVLBLIUOIQVKJ-MPNRVQBSSA-N 435.307 4.438 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cnn(Cc4ccc(F)cc4)c3)SC2=S)cc1 780142048 AURYTVVYKKMMOG-VXLYETTFSA-N 425.510 4.485 10 20 IICD COCCN(C(C)=O)c1nc(CN(C)c2ccc(OCc3ccccc3)cc2)cs1 781962944 FIIPKAJZMQANJC-UHFFFAOYSA-N 425.554 4.358 10 20 IICD CSCc1cccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 783822734 FDSYTBQFOROVSU-UHFFFAOYSA-N 448.591 4.048 10 20 IICD COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1OC(C)C 784057622 ABKDAYVLSVIDKG-UHFFFAOYSA-N 425.529 4.369 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccc(C(F)(F)F)cc3)cc2)CC1 786263715 ZPQBXSHPTGNHPF-KRWDZBQOSA-N 447.501 4.184 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1cccc(Cl)c1C 791250702 UFHMITRHHXRIOY-UHFFFAOYSA-N 432.948 4.416 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 792933945 BYXWCTIUBCZPFL-UHFFFAOYSA-N 443.535 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2F)C[C@H](C)O1 798056981 GXBQYICJHWZXOF-LPRVAIFDSA-N 433.474 4.073 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1ccc(OC)c(F)c1 798248571 FOTNMWZOOVXJJX-UHFFFAOYSA-N 430.520 4.156 10 20 IICD C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1S(=O)(=O)c1cccc2nsnc12 798442847 SXTLTEGGRFNVTL-ZDUSSCGKSA-N 446.554 4.030 10 20 IICD O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1cn2c(n1)CCCC2 800048205 WJROZPQVWGZIGE-UHFFFAOYSA-N 433.892 4.044 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 807767537 MWCPZHMGSKUSJI-LJQANCHMSA-N 430.552 4.041 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 808362323 LOIMVPORHVPNJJ-WGSAOQKQSA-N 432.609 4.225 10 20 IICD C[S@](=O)Cc1ccc(CNCc2cc(Br)cc(Br)c2O)cc1 809719194 WTEHLSWAVKFGLW-QFIPXVFZSA-N 447.192 4.086 10 20 IICD CC(C)c1scnc1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 811265863 SNKSEXZTRHBZEC-ZDUSSCGKSA-N 448.500 4.226 10 20 IICD COc1ccc(O)c(CNC(=O)CCc2cc(C(F)(F)F)ccc2Br)c1 815835218 NKZHZXNYXKVABJ-UHFFFAOYSA-N 432.236 4.431 10 20 IICD COc1ccc([C@H](NCc2cc(Cl)c(F)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 816553957 LBJQTAHQXGGAAU-QFIPXVFZSA-N 449.931 4.476 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccc2nc(O)[nH]c2c1 828576464 LSVSVSKXTZHNRC-KRWDZBQOSA-N 449.536 4.042 10 20 IICD COc1ccccc1C[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473056 SIQJUEPZSCTVRC-UTKZUKDTSA-N 430.976 4.404 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)cc1 916088774 IIXRFDYIJSKIBO-UHFFFAOYSA-N 442.440 4.416 10 20 IICD O=C(Nc1cc(F)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccoc1 917387439 ZEKSUVRYGZBKAS-UHFFFAOYSA-N 439.512 4.154 10 20 IICD COC(=O)CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1 917851065 ZGKAVLGCOWZVSD-UHFFFAOYSA-N 446.550 4.170 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)cc1 917872099 GBKAOSBBNWUFLU-UHFFFAOYSA-N 449.554 4.357 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918208894 JESBFEWXDNQBCO-OAGGEKHMSA-N 433.499 4.147 10 20 IICD Cc1nn(-c2ccccc2)c2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)ccc12 918400182 UUCJXZLOBULBQK-UHFFFAOYSA-N 443.576 4.212 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)s1 918740469 SXEBAQGAOFYSHH-VIFPVBQESA-N 443.522 4.148 10 20 IICD COCCN(Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)c(OC)c1 1321393254 ALKNAWBLAXPOMB-UHFFFAOYSA-N 425.279 4.028 10 20 IICD COc1ccc(Br)cc1NC(=O)NCc1cccc(Br)c1O 1339112281 VHESYZJJBUILPO-UHFFFAOYSA-N 430.096 4.248 10 20 IICD O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1CCc1ccccn1 726197312 QNFNDURASMVMQN-LZYBPNLTSA-N 449.351 4.017 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 727244805 HLOMBZXJVFVCCG-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(F)c(Cl)c2)nc1-c1ccccc1 727251450 ZCJJBEPPZGCERS-UHFFFAOYSA-N 440.905 4.119 10 20 IICD Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 730118098 GVDNQNWGSJWHBU-OAQYLSRUSA-N 433.474 4.337 10 20 IICD C[C@@H](NC(=O)N(C)CCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 730123161 GFFLTKCQXJECFL-QGZVFWFLSA-N 446.389 4.231 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(Oc4cccnc4)cc3)cc2F)CC1 730194651 UBJFGTHWPGYMEM-UHFFFAOYSA-N 434.515 4.085 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)c1C 730221582 MDVJDHDBUMFBIJ-UHFFFAOYSA-N 446.595 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)CC1 731016575 MZQZWKFRYROJLG-XFXZXTDPSA-N 445.607 4.491 10 20 IICD O=C(Nc1sccc1C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1 731472356 ZBNCQFYJBUIBAC-UHFFFAOYSA-N 427.551 4.077 10 20 IICD O=C(NCc1ccc(Br)cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 732472559 DIKAPKCYGJUYNO-QGZVFWFLSA-N 437.309 4.185 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 734407161 CVVVDRZLQCLOLF-UHFFFAOYSA-N 440.551 4.306 10 20 IICD CC(C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)NC(=O)OC(C)(C)C 734689517 HKDZMDRGTCTJJS-NRFANRHFSA-N 432.609 4.368 10 20 IICD Cc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c(C)n1-c1cccc(C(C)C)c1 739817127 RJCPKPHZANGJET-UHFFFAOYSA-N 431.462 4.484 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@H]1CCOc2ccccc21 743282015 ILXIDCROKNMHOJ-JJLFXSABSA-N 438.509 4.131 10 20 IICD CSc1cccc(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)c1 743431053 TWNYXHAWIWVAKM-SFHVURJKSA-N 436.533 4.289 10 20 IICD O=C(Nc1cccc(OC(F)F)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748026646 AVBVZKCUSMOXIY-UHFFFAOYSA-N 440.449 4.108 10 20 IICD CC(C)[C@@H](CCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1)NC(=O)OC(C)(C)C 749574875 KYYAWXSGBZWNHY-OAQYLSRUSA-N 430.593 4.144 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)SC2=S)c1 751292638 WVZXDWCNOBCUHM-GRSHGNNSSA-N 431.535 4.435 10 20 IICD COc1cccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1O 752597448 WWCKVEPZGQGPRK-YWZLYKJASA-N 448.922 4.198 10 20 IICD COCCCOc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 752683667 AJYAFRMIAMJQMB-UHFFFAOYSA-N 425.573 4.434 10 20 IICD C[C@@H](NCCCN1CCCCCC1=O)c1cc(Br)cc(Br)c1O 756373936 VQLZYKMLAUIXML-GFCCVEGCSA-N 448.199 4.361 10 20 IICD C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1O 756862243 CXFGSKQTYLNLDO-FZKQIMNGSA-N 437.418 4.161 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 757551135 JMPXSBWRAXHJCC-UHFFFAOYSA-N 432.498 4.025 10 20 IICD O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 758713835 HZEWFARUCLLTDP-FUPPJEDESA-N 428.504 4.142 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)cc(OC)c1OC 759240298 KFTYVCXFLBETHS-UHFFFAOYSA-N 438.480 4.060 10 20 IICD C[C@@H](Cc1ccccc1Br)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 760195480 SYIQUWSQBAZIQI-QFBILLFUSA-N 447.373 4.477 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 764990949 RIXKEDUBIIHVAM-DLBZAZTESA-N 426.536 4.358 10 20 IICD Cc1ccc(C)c(-n2ncc([C@@H](C)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C)c1 765245444 PQLPNUSKCXUXKL-NFBKMPQASA-N 445.611 4.350 10 20 IICD C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1Cl 765529886 SSMMQHOUWWIMJC-CYFREDJKSA-N 442.003 4.061 10 20 IICD Cc1ccc(Nc2cccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)c2)nn1 767933397 JSZYVMGQEFPTQA-UHFFFAOYSA-N 430.556 4.311 10 20 IICD Cc1oc2c(CN3CCOC4(CCOCC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 768904939 AWCBSRRESIEAKG-UHFFFAOYSA-N 435.520 4.246 10 20 IICD COc1cc(N[C@H]2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc(OC)c1 769243383 QNKMTQGTXNHDQD-IBGZPJMESA-N 434.540 4.223 10 20 IICD CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c(O)c1 769304749 DJWFFITUYVZDAS-UHFFFAOYSA-N 433.346 4.404 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1 771290879 QTZVSMMMEFVILI-LJQANCHMSA-N 446.473 4.241 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2ccc(N(C)C)cc2)CC1 773106733 UVUPNYMNTGUPIV-HXUWFJFHSA-N 429.630 4.165 10 20 IICD COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 773816261 FITNJFSIDPJFNF-SJORKVTESA-N 437.500 4.024 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1F 774921314 CTSYFTKFEBASCJ-CQSZACIVSA-N 439.453 4.184 10 20 IICD CC[C@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cc(Cl)ccc1O 775485335 QXPJYXWNSWJTJO-PMACEKPBSA-N 434.964 4.177 10 20 IICD C[C@H](NC(=O)Nc1cccc(F)c1I)c1ccc(N(C)C)cc1 775687378 CYWCCFDMNLHABB-NSHDSACASA-N 427.261 4.379 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)ccc1O 776744540 WRYJKHLMWRZHPJ-UHFFFAOYSA-N 443.462 4.084 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4cc(F)ccc43)cc2F)C[C@@H](C)O1 776896192 LSVDZQRMNQGHIR-MRUHUIDDSA-N 445.510 4.292 10 20 IICD O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 777648409 SAYLQHPTBDUNPP-AWEZNQCLSA-N 432.325 4.448 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C)n(-c4ccccc4Cl)n3)CC2)cc1 777708768 LKEZNSKCTRPJIJ-UHFFFAOYSA-N 425.920 4.197 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CC3(c4ccccc4)CC3)cc2F)C[C@@H](C)O1 780311203 GQPKCBVOFWQBCO-KDURUIRLSA-N 425.548 4.313 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(Cl)c1Cl 785192322 AYRFQMPJDFCGPA-UHFFFAOYSA-N 446.128 4.449 10 20 IICD COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC(F)F)c1 788885982 QFRROVOXDNJOBA-CYBMUJFWSA-N 442.409 4.297 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccc(N(C)C)cc1 789213728 SANXDCFRFIOFMI-QGZVFWFLSA-N 436.581 4.196 10 20 IICD COc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1OC 790390822 FEYKWIPIEMQIIC-UHFFFAOYSA-N 425.934 4.196 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1csc(-c2ccoc2)n1 791245593 BTSFKODVVYCUPX-UHFFFAOYSA-N 427.526 4.405 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 797616231 UGDAIGXZLBHKRU-GFCCVEGCSA-N 430.398 4.268 10 20 IICD CCN(C(=O)c1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1Cl)C(C)C 797650451 AXGRERJDJMWVPN-AWEZNQCLSA-N 433.936 4.374 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1F 802134791 PNEDZMPTUQJDLM-UHFFFAOYSA-N 436.535 4.127 10 20 IICD CC[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(Cl)cc(Cl)c1O 806134594 ZYCFLGIPGMDHJM-KBXCAEBGSA-N 439.339 4.064 10 20 IICD CN1CCC(Oc2ccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CC1 807255828 PUXGNZJDTRTATA-UHFFFAOYSA-N 449.551 4.370 10 20 IICD O=C(NCCCSc1nccs1)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902975 ZSOPABMSYOYPOK-UHFFFAOYSA-N 430.958 4.076 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 809193937 HIZFLXPLVWQOFS-RPWUZVMVSA-N 433.596 4.163 10 20 IICD C[C@H]1CN(c2ccc(CNCc3nc4ccccn4c3Br)cc2F)C[C@H](C)O1 809606698 APHXUAMIRXJKLV-GJZGRUSLSA-N 447.352 4.139 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C 915219267 CSCRQYKQANGVBI-UHFFFAOYSA-N 435.502 4.025 10 20 IICD COc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1OCC(=O)NC1CC1 918069590 PTYWADRFCKLKHR-UHFFFAOYSA-N 439.537 4.074 10 20 IICD O=C(CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)cc1 918095437 ZNHBHAREQCLBDK-HXUWFJFHSA-N 445.947 4.155 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)cc2F)C[C@@H](C)O1 918210713 XOEWSKVRUYWZNS-RTBURBONSA-N 440.563 4.039 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1OC 919803127 UBZBIAWPMLUHDO-FQEVSTJZSA-N 446.494 4.422 10 20 IICD CCOC(=O)c1c(NC(=O)c2cccc(C(=O)NC)n2)sc(C)c1-c1ccc(F)cc1 1319346580 GLBARLVWDJYILI-UHFFFAOYSA-N 441.484 4.046 10 20 IICD O=C(CSc1ccc(Br)cc1)NCc1cccc(Br)c1O 1320797844 MVPSOMFQTQPFIX-UHFFFAOYSA-N 431.149 4.326 10 20 IICD Cc1csc([C@@H](N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)n1 1342338954 VAYYDZQQJZQLTF-QKKBWIMNSA-N 445.544 4.295 10 20 IICD Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 13264777 JYQWDFHGLWVKKX-ODLFYWEKSA-N 449.557 4.193 10 20 IICD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 18150669 NRAYEMIAECFNPN-UHFFFAOYSA-N 437.565 4.134 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2F)C[C@@H](C)O1 108468903 YJJCHPYANLZWBL-QZTJIDSGSA-N 439.531 4.144 10 20 IICD COC(=O)c1nc([C@@H]2CCCN2C(=O)NCc2c(C)c3ccccc3n2C)sc1C 472235735 BWAIQUQOSRNTDY-KRWDZBQOSA-N 426.542 4.085 10 20 IICD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 555253215 SWWGTNXAPTXDOX-UHFFFAOYSA-N 426.520 4.036 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3nc4cc(Cl)ccc4s3)CC2)cc1 726615107 YDHLAGRBJBREKI-UHFFFAOYSA-N 430.961 4.427 10 20 IICD CCNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1 726695299 HOSBJAALDQXZBT-UHFFFAOYSA-N 446.498 4.137 10 20 IICD COC(=O)N(C)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726697212 LBZLBCLYACDFPK-UHFFFAOYSA-N 448.470 4.281 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)cc1 726726905 XDLHHPLKHSFYGW-UHFFFAOYSA-N 443.503 4.318 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c[nH]c4ccc(Br)cc34)CC2)cc1 728207329 MFXLYMMBUOEAGS-UHFFFAOYSA-N 428.330 4.292 10 20 IICD CCCn1c(/C(Cl)=C\c2cccnc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 728698755 NMHNNJIUYKZRSE-RVDMUPIBSA-N 439.368 4.482 10 20 IICD O=C(CN1CCC[C@@H](c2nnc3n2CCC3)C1)Nc1ccc(N=Nc2ccccc2)cc1 728914161 AXLYXPLDJFCQIL-GOSISDBHSA-N 429.528 4.458 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 728946406 DHOCWXKCZXVOIN-HNNXBMFYSA-N 437.471 4.353 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2cccc(Br)c2)c1 730214995 ABTQHOIXRWSGCR-UHFFFAOYSA-N 427.346 4.363 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(OCc2cscn2)c1 730667420 QTVQEKUWJSJNJE-UHFFFAOYSA-N 438.553 4.223 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1F 731363581 FYKAGIHIFUXIDO-IBGZPJMESA-N 443.441 4.103 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1SCCc2sccc21 742552733 VHGLLHGTCVKTNP-GOSISDBHSA-N 442.528 4.250 10 20 IICD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 743564916 QUYPKYFOGIZHPG-XRODADMRSA-N 437.584 4.360 10 20 IICD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 743707403 GKUJIHCUOKKKMA-NOZRDPDXSA-N 437.584 4.141 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@@H]1c1ccccc1 745648658 SUSJXMWPRSBAOJ-AVRDEDQJSA-N 425.548 4.122 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1Br 746391786 ALWFQJVTORYFFZ-DHDCSXOGSA-N 433.352 4.262 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)cc1 746784296 XDYHOGZESHKGNL-UHFFFAOYSA-N 428.583 4.315 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 747457554 WWHXTCPNZWCYOZ-UHFFFAOYSA-N 442.503 4.439 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1O 750036052 JTEHRWNABXSINT-UHFFFAOYSA-N 432.923 4.224 10 20 IICD C[C@@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccc(N2CCOCC2)cc1 750732827 ZVDWYRXDQDQIJZ-CQSZACIVSA-N 428.330 4.258 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 751086568 ZFABOFHKEKIXIU-BXKMTCNYSA-N 425.548 4.157 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1 751307953 PDFYQCIUKGKCOO-UHFFFAOYSA-N 440.912 4.096 10 20 IICD CC1CCC(N(C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)C2CC2)CC1 751931497 OIQBMDQPLSAZQX-UHFFFAOYSA-N 427.570 4.043 10 20 IICD Cc1cnc([C@@H](N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)s1 754420655 XLIBXFZPPZPSIW-SZNDQCEHSA-N 445.544 4.295 10 20 IICD C[C@H]1CC[C@@H](C)N1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 757796079 PYDRXGMWBHGEEO-OMOLXHFVSA-N 439.400 4.050 10 20 IICD O=C1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCCN1Cc1ccccc1 761786292 JBYJSKSCADLWGE-HSZRJFAPSA-N 435.568 4.428 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 761983549 TZNLSVSIACLIDJ-INIZCTEOSA-N 440.521 4.001 10 20 IICD O=C(NCCc1ccc(F)c(Br)c1)NCc1cccc(Br)c1O 765467555 SUVDDLHLMUBXDL-UHFFFAOYSA-N 446.114 4.098 10 20 IICD Cc1nnc(-c2ccccc2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 765683534 FYKHRJPNVUJROC-HNNXBMFYSA-N 428.439 4.045 10 20 IICD COc1ccc(CCC(=O)N2CCCN(Cc3cc(Cl)cc(Cl)c3O)CC2)cc1 769208650 OQJOIXMGMWDQIX-UHFFFAOYSA-N 437.367 4.375 10 20 IICD CC(=O)N1CCc2c(NCc3cc(Br)cc(Br)c3O)cccc21 769558206 TWDVTGHZLMFERF-UHFFFAOYSA-N 440.135 4.438 10 20 IICD CCOC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccc(OC)c(F)c1 779185065 AKRHESOFHWLMIJ-QGZVFWFLSA-N 426.282 4.005 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3cc4ccccc4o3)cc2F)C[C@H](C)O1 785524358 ZGNOZOVWAUCCAQ-OKZBNKHCSA-N 439.531 4.153 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(-n2cc(Cl)cn2)n1 786834023 HOQVUYOZGBRLFB-UHFFFAOYSA-N 440.979 4.415 10 20 IICD Cc1nc2ccc(Br)cn2c1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 796777285 ZNKBNLRYMDVGNC-UHFFFAOYSA-N 447.296 4.367 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c(F)c1 799187085 LYMUCXOHIBKFFZ-UHFFFAOYSA-N 432.502 4.036 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cnn(C)c3Br)cc2Cl)C1 800049652 SNARQAPQDSDJHF-LBPRGKRZSA-N 425.758 4.002 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3csc(-c4cnccn4)n3)cc2Cl)C1 800050383 UWOZTMNIAPHIMJ-CQSZACIVSA-N 427.961 4.420 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 802609765 IZFWXXCRDZBSMI-UHFFFAOYSA-N 430.504 4.391 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 807101788 BQKQMWLXJVFCPQ-UHFFFAOYSA-N 427.595 4.029 10 20 IICD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(Cl)c(O)cc1F 808114682 DUEMBEAZVPPGQZ-UHFFFAOYSA-N 428.652 4.079 10 20 IICD CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 808968769 WSCCHWFRGGNQRH-QFIPXVFZSA-N 438.499 4.037 10 20 IICD COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2cc(Br)cc(C)c2O)cc1OC 810255583 NPYAOCROGJXANW-LHSJRXKWSA-N 438.362 4.125 10 20 IICD Cc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 810266627 RZJOOYUASYUMSD-KBPBESRZSA-N 440.441 4.483 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)CC2)cc1F 810490090 QHDBUOXKCVTBOR-UHFFFAOYSA-N 449.548 4.230 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(N2CCCC2=O)ccc1Cl 916624993 ZTDTWKQIQQGGSA-UHFFFAOYSA-N 444.988 4.342 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 918304689 TUDRAHKHIKURKD-UHFFFAOYSA-N 427.854 4.412 10 20 IICD C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 919924761 VUQMGRPLPMNBOQ-NJYVYQBISA-N 426.605 4.424 10 20 IICD NC(=O)CCc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 1318434812 QHYPACDCYUWHHX-QFIPXVFZSA-N 441.491 4.264 10 20 IICD C/C=C/C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1812543195 ZZJITUVYXNJURO-GKEOKASWSA-N 442.563 4.385 10 20 IICD Cn1c(SCC(=O)c2ccc(O)c(O)c2)nc2scc(-c3cccs3)c2c1=O 23596708 ZECDLENBROYUFY-UHFFFAOYSA-N 430.532 4.110 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)COc1ccccc1-c1ccccc1 27080081 FSPJHJBZZPDONH-UHFFFAOYSA-N 432.520 4.000 10 20 IICD Cc1cc(C(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1ccc(Br)cc1 110416449 DARXZQRSQKFFFG-UHFFFAOYSA-N 433.346 4.082 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)CC2)cc1 110421977 RINFSCHBTHYXIP-GOSISDBHSA-N 434.540 4.394 10 20 IICD Cc1cc(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c(O)c(C(C)(C)C)c1 195566060 RGFMSPNXAXXSCT-UHFFFAOYSA-N 434.577 4.080 10 20 IICD C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCc2sccc2C1 726097464 GFCLGPDQQYFBJZ-QGZVFWFLSA-N 425.554 4.205 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)ccc21 727030701 WQBYTRWYVJEJMV-UHFFFAOYSA-N 431.418 4.460 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1 727246916 ZZTUXENOJKFZAD-UHFFFAOYSA-N 432.454 4.283 10 20 IICD Cn1c(=O)oc2cc(N[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)ccc21 728300023 XTBMIJVWVKAPHW-IBGZPJMESA-N 441.447 4.291 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C(N)=O)c1ccc(Br)cc1 729702980 AXFLSOBXFKUWJN-INIZCTEOSA-N 433.327 4.302 10 20 IICD Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1cccc(Br)c1 729948513 ANBPJDPMTTUYJA-UHFFFAOYSA-N 439.357 4.256 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)nc(N4CCCC4)c3)cc2F)C[C@H](C)O1 732934730 SMQSDAOJPURKGX-HOTGVXAUSA-N 446.954 4.018 10 20 IICD O=C(NCCCSc1nccs1)C1(c2ccc(Br)cc2)CCOCC1 733884271 OWWAQZXROZWSSN-UHFFFAOYSA-N 441.416 4.252 10 20 IICD COc1ccc(-c2nc(CC(=O)NCCCSc3nccs3)cs2)cc1OC 733973271 XSJKINCNSZDIKT-UHFFFAOYSA-N 435.596 4.125 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 739714047 ZUBBTQJWAUWHGM-UHFFFAOYSA-N 429.446 4.206 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 740813174 WJUPWHKTOXUXCA-UHFFFAOYSA-N 436.477 4.048 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(SC)cc1OC 741302723 VUKOZZLDCSEYJR-WOJGMQOQSA-N 432.592 4.265 10 20 IICD C[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749982 KTNHDANPFZJKIS-OXQOHEQNSA-N 445.535 4.041 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2c(F)cccc2Cl)NC(=O)OC(C)(C)C)cc1 742755050 UYVBKYIOBVJUTN-HXUWFJFHSA-N 449.954 4.470 10 20 IICD CCOCc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743532478 PBOVFLHHLBPFPK-IBGZPJMESA-N 433.499 4.293 10 20 IICD COc1ccccc1O[C@@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 743691566 OAJZDEFTNAHFFH-INIZCTEOSA-N 449.498 4.032 10 20 IICD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 744473766 LBSPEKRNQLCGSX-INIZCTEOSA-N 427.456 4.263 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3C(F)(F)F)cc2F)C[C@@H](C)O1 746220238 JUSROMUFMVHKJO-GASCZTMLSA-N 439.453 4.458 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)cc1 747377097 VVBOMCTWDMOGSM-AGILITTLSA-N 435.572 4.492 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1F 753747644 VEPFGLJRJSJEPW-ZWKOTPCHSA-N 433.321 4.049 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)s1 753978356 NBQLHLROGBDTPA-NSHDSACASA-N 439.559 4.317 10 20 IICD COc1ccc(N2CCC(NCc3cn(-c4ccc(Cl)cc4Cl)nn3)CC2)cc1 756025292 QEUGXQKKNPOZGM-UHFFFAOYSA-N 432.355 4.341 10 20 IICD C[C@H](N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(Br)ccc1O 756432349 QOFVKICLMBFHLU-KGLIPLIRSA-N 433.346 4.224 10 20 IICD Cc1cc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c(C)n1-c1cccc(Cl)c1 758291526 KHCIRUSLDGQNBD-UHFFFAOYSA-N 428.941 4.007 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCc3cccc(OC(C)(C)C)n3)cc2F)C[C@@H](C)O1 758423866 USQCQEQVJKTWGF-QZTJIDSGSA-N 443.563 4.261 10 20 IICD C[C@@H](O)C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 759573569 MSAQEMKAAQKVOQ-IEBWSBKVSA-N 447.526 4.111 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cnn1-c1ccccn1 764526163 KLHAIZVKRZEYKG-UHFFFAOYSA-N 437.506 4.246 10 20 IICD CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 764998950 BSHBTENXIFWPGB-QKLQHJQFSA-N 443.519 4.233 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(OC)c3)n2)cc1Cl 767676897 UXVOZFKFGWPQIF-UHFFFAOYSA-N 446.337 4.330 10 20 IICD CCO[C@H](C)c1nc(CN2CCN(Cc3cccc(Br)c3O)CC2)cs1 769503433 YDEPGJBGCASVJZ-CQSZACIVSA-N 440.407 4.027 10 20 IICD C[C@@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(N(C)C)cc1 773616857 AIILJDUKONNLEO-LJQANCHMSA-N 447.583 4.432 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H](c1ccccc1)C(F)(F)F 776941896 BKHDJXILFODJNP-NRFANRHFSA-N 435.490 4.041 10 20 IICD Fc1ccc(Cn2cc(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)cn2)cc1 780520353 NLUWNPFZLVIYPH-UHFFFAOYSA-N 430.474 4.431 10 20 IICD Cc1noc(C2(C)CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)n1 781541419 SCWCVFKRNZTILU-UHFFFAOYSA-N 432.484 4.312 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(C)c(OC(C)C)c3)CC2)cc(OC)c1OC 786032296 YUXNNESZLWBRSV-UHFFFAOYSA-N 443.544 4.162 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3nc(C(F)(F)F)cs3)CC2)cc1 787158416 DJHBRAHQRMCQAU-LBPRGKRZSA-N 428.480 4.200 10 20 IICD C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NOCCO)c2C1 787294201 SNUNXPILTAMSFU-DOMQTXCISA-N 431.536 4.077 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 792881293 GIFYFALMDBKULP-GMAHTHKFSA-N 425.548 4.170 10 20 IICD CC(=O)c1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F 794740492 KARNUZQMXRDLKV-CYBMUJFWSA-N 430.435 4.243 10 20 IICD CN1C(=O)/C(=C/c2ccc(Br)cc2[N+](=O)[O-])c2cc(Br)cnc21 794881580 WXBLGPXPKZDCES-UUILKARUSA-N 439.063 4.032 10 20 IICD CCS(=O)(=O)c1cccc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800050406 VUOWFLIEFDALST-QGZVFWFLSA-N 449.016 4.229 10 20 IICD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 800628535 VRKMLBPCNURVLN-UHFFFAOYSA-N 429.448 4.048 10 20 IICD Cc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C(C)C)s1 805023053 NBXDKXISJSSRNW-UHFFFAOYSA-N 427.614 4.346 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1C 805275734 GIKBGLFTIWDERH-GOSISDBHSA-N 435.490 4.466 10 20 IICD CC[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)cc(Cl)c1O 806160158 QYGAMXIUIBFXMI-SFHVURJKSA-N 429.369 4.480 10 20 IICD CCN(CC)CC(=O)Nc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 806183724 VZWOFMHSIXCMTM-SFHVURJKSA-N 428.552 4.116 10 20 IICD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCCCSc1nccs1 806275887 YRVHLAOHDDNYEB-KBPBESRZSA-N 426.007 4.046 10 20 IICD O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1Cl 809818548 FRDAACKBMFAGRN-UHFFFAOYSA-N 428.869 4.226 10 20 IICD Cc1ccc(CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 810448063 IDONTUBYPJTBHU-FQEVSTJZSA-N 431.602 4.437 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 915290284 DKABADPWJMRTKK-UHFFFAOYSA-N 425.875 4.181 10 20 IICD C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)O1 915752909 NUYUQUWCXDVDGV-ROUUACIJSA-N 437.544 4.045 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cccc(OCc4ccccn4)c3)CC2)cc1 918008860 XKGUCIDJPPSCOX-UHFFFAOYSA-N 446.551 4.091 10 20 IICD Cc1cc(C(=O)NC2CCC3(CC2)OCCO3)c(C)n1-c1cccc(Br)c1 918603291 SNVMRJODJRCECI-UHFFFAOYSA-N 433.346 4.272 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(Br)ccc3OC)CC2)cc1 1325738198 IFELSBGCPANPIJ-UHFFFAOYSA-N 434.334 4.257 10 20 IICD Cc1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)c(C)n1-c1ccc(Br)cc1 22422022 KHELAZSNXQTUDA-AWEZNQCLSA-N 438.329 4.390 10 20 IICD CS(=O)(=O)c1cccc([C@H](NCc2ccc3c(c2)CCO3)c2ccc(F)c(F)c2)c1 237482768 WANVSNMWZABTEG-QHCPKHFHSA-N 429.488 4.182 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(-c2ccc(F)cc2)n1 303484785 QSHHPVYFRZZLQU-UHFFFAOYSA-N 425.529 4.088 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 726610228 JSTRFRSRUWSGHR-OAHLLOKOSA-N 443.498 4.469 10 20 IICD CC[C@H](C)Oc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC 726626496 CNVYJISGYCUOFD-QXGSTRBFSA-N 442.562 4.377 10 20 IICD CC(C)c1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 726688120 PMCYBCSJXIKTIU-ZDUSSCGKSA-N 448.500 4.226 10 20 IICD C[C@H]1CCC[C@](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)(N(C)C)C1 726707749 GNFSUZOMTWFATM-SBUREZEXSA-N 438.563 4.067 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 727057032 LXSMZRRPKVYPJY-CVEARBPZSA-N 432.362 4.407 10 20 IICD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 727164092 JVQZGYXRRNFDRP-OAHLLOKOSA-N 437.367 4.286 10 20 IICD CC(C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1 728499826 HVYDKRCRCMRJTD-UHFFFAOYSA-N 432.407 4.174 10 20 IICD CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 729575828 PFDCNDYLPZITAX-IYBDPMFKSA-N 431.508 4.168 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)C[C@@H]2CCCOC2)sc(C)c1-c1ccccc1 730808042 GIOJKEYOKIXOCY-KRWDZBQOSA-N 430.570 4.197 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N(C)Cc1ccccc1 732248268 CASULQBEHKUHLL-GOSISDBHSA-N 446.542 4.077 10 20 IICD C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 733847274 ZASHKMQMWJEZME-RBBKRZOGSA-N 430.662 4.036 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734011439 IMYXUGVQHCMXIH-QGZVFWFLSA-N 436.478 4.072 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 734703593 PYIDERVZTYYMES-UHFFFAOYSA-N 427.904 4.284 10 20 IICD C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 744464873 BSMODDGPGLWIIO-KRWDZBQOSA-N 436.474 4.263 10 20 IICD C[C@H](CCOc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 744464874 BSMODDGPGLWIIO-QGZVFWFLSA-N 436.474 4.263 10 20 IICD CN(C[C@H]1OCCc2ccccc21)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905849 RQXCVSKYFNYDHP-PGRDOPGGSA-N 445.510 4.212 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 747411679 UZKKKJARDNXSTM-YADARESESA-N 425.573 4.186 10 20 IICD C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 751083378 MUZIXHDNSWHTRC-NFBKMPQASA-N 438.641 4.092 10 20 IICD COc1ccc([C@@H](CNCc2ccc(OCc3ccccc3)cc2O)N2CCOCC2)cc1 753546233 DIRRZMYQJJQWLR-AREMUKBSSA-N 448.563 4.143 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4o3)CC2)cc1F 753740883 YBIAQUAJNUNVCY-UHFFFAOYSA-N 433.277 4.305 10 20 IICD Cc1cnc([C@@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)s1 754420644 XLIBXFZPPZPSIW-QKKBWIMNSA-N 445.544 4.295 10 20 IICD COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756589214 KFBMIEJXYJXKPG-QGHHPUGFSA-N 430.726 4.210 10 20 IICD C[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(Br)c1O 756764769 KNKAAVYTGKDBOR-YPMHNXCESA-N 449.183 4.296 10 20 IICD CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)cc1 756874101 NKOCKNDVUORTCP-LLVKDONJSA-N 432.767 4.453 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 758814714 MURNMHRHJGZJOQ-YVWKXTFCSA-N 449.498 4.148 10 20 IICD CC[C@H](CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(C)cc1 759221827 QYZRYPGXCVXKLN-LJQANCHMSA-N 426.557 4.253 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCSc2ccncc21 759472598 JPCKQVWDSJMIHB-LFIBNONCSA-N 447.632 4.263 10 20 IICD COc1ccc(O)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 759719108 JSZWDQYRPJENEY-LFIBNONCSA-N 434.564 4.082 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 760886477 GJSPYRWFRUUDOL-UHFFFAOYSA-N 444.373 4.428 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCc2cc(OC(F)F)ccc21 761207037 QICDJLFTVVRUGM-KRWDZBQOSA-N 436.842 4.489 10 20 IICD CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762158306 OOTJUJLKEMPOAR-PMACEKPBSA-N 428.916 4.194 10 20 IICD CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 763132579 BSNCXGNIWWZBBX-UHFFFAOYSA-N 437.500 4.024 10 20 IICD COc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1 764533022 AZHKVDOQZWLCDW-UHFFFAOYSA-N 425.329 4.382 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1C 764533840 NBTVDNUXUGFERS-UHFFFAOYSA-N 441.376 4.207 10 20 IICD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 764998947 BSHBTENXIFWPGB-ABSDTBQOSA-N 443.519 4.233 10 20 IICD C[C@@H]1CN(c2ccc(CNC3CCC4(CC3)C(=O)Nc3ccccc34)cc2F)C[C@@H](C)O1 765124527 BCOJKMZWVPOKGC-UGKHAFNNSA-N 437.559 4.362 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(OCC2CCOCC2)cc1 765294985 QWVLEOWEJHUNMB-UHFFFAOYSA-N 435.318 4.282 10 20 IICD C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765645264 RNFRXPSEUKOYPV-WZONZLPQSA-N 430.543 4.152 10 20 IICD COc1ccc2c(c1)CCCN2Cn1nc(N2CCCCC2)n(C[C@H]2CCCO2)c1=S 766340445 LNTGFXAPWVIHHA-HXUWFJFHSA-N 443.617 4.002 10 20 IICD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1C 771135461 YUSPOOVQTIXRCS-UHFFFAOYSA-N 449.554 4.050 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc3ccc(Br)cc3n2)SC1=S 771522375 ZXEXIMNGNGUSPX-ZROIWOOFSA-N 437.340 4.063 10 20 IICD C[C@@H](NC(=O)Nc1cccc(F)c1I)c1ccc(N(C)C)cc1 775687374 CYWCCFDMNLHABB-LLVKDONJSA-N 427.261 4.379 10 20 IICD CCOc1cccc(CN2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c1O 779613652 PGCOPVOBBYGLFQ-JOCHJYFZSA-N 437.540 4.176 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccccc4C)c3C)c2)CC1 781275146 FUNGYUWAQQANPQ-UHFFFAOYSA-N 430.552 4.323 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F 782091168 CRNNZGIRSXHEOJ-UHFFFAOYSA-N 427.398 4.011 10 20 IICD CCN(CC)c1ccc(CNCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1F 790611606 SPRJZUCWGRZCBU-VWLOTQADSA-N 438.547 4.187 10 20 IICD Cc1cc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc1Br 796274854 CNGKUVKMJMQOKM-HOCLYGCPSA-N 436.419 4.372 10 20 IICD Cc1cc(-c2nnc(N3C[C@H](C)O[C@H](C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802753859 VEOQPNKAGHECOA-ZVDOUQERSA-N 435.572 4.003 10 20 IICD CN(Cc1ccccc1O)c1nnc(CCCc2cccs2)n1C[C@H]1CCCCO1 812435815 WJEBDKPIBXCJHL-LJQANCHMSA-N 426.586 4.426 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc(OCC)c(Cl)c1 819519289 RSJIBYLEBUKAEH-UHFFFAOYSA-N 433.936 4.136 10 20 IICD Cc1cc(C(=O)COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)[nH]1 913359738 CEWQFBLOTYWVTL-LICLKQGHSA-N 448.591 4.101 10 20 IICD CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl 915903872 AQKMDDKVSBCDEB-RXVVDRJESA-N 431.964 4.039 10 20 IICD CN(C)c1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1 919883679 LENDKURXHMAJAR-UHFFFAOYSA-N 434.565 4.270 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)s2)cc1 920881129 KHAGICQWRFWKIB-MRXNPFEDSA-N 437.565 4.455 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)s3)CC2)cc(OC)c1OC 1337828935 LTUCUTVDXIUMMK-UHFFFAOYSA-N 438.549 4.403 10 20 IICD O=C1N[C@H](Cc2ccccc2Cl)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1354216891 TZMBBAAEMYUPHA-VQIMIIECSA-N 449.885 4.073 10 20 IICD CCOc1ccc(SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 16168666 HQIXTWYHZZBHOI-UHFFFAOYSA-N 444.578 4.115 10 20 IICD COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 16386789 DLHSZDDWVWYFSY-LJQANCHMSA-N 425.573 4.003 10 20 IICD CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 679583894 VPEKCCWAHLXDPC-RUZDIDTESA-N 437.547 4.061 10 20 IICD CN(C)c1ccc(CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 726374540 HLEQUEPHSQPIHP-UHFFFAOYSA-N 426.561 4.056 10 20 IICD O=C(NCCCc1nc2c(s1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 727230971 URUJZTWZTAQOCY-SFHVURJKSA-N 429.586 4.051 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccccc3OC(C)C)cc2F)CC1 730117998 NRYJKEVOHZVZFP-LJQANCHMSA-N 442.579 4.315 10 20 IICD CC(C)(C)c1ccccc1OCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 731223974 UZSMZHKVFGRXQP-UHFFFAOYSA-N 439.600 4.071 10 20 IICD O=C(CCc1ccc(Br)cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 731855840 CNEKNXLOBKSNNE-GOSISDBHSA-N 436.321 4.434 10 20 IICD Cc1cc(CC(=O)NCC[S@@](=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 732097872 LTXTUSAIHNZTJH-GDLZYMKVSA-N 428.985 4.355 10 20 IICD CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 733151677 KPTCOMUCXDEFKE-HSZRJFAPSA-N 431.536 4.268 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3ccc(Br)cn3)SC2=S)cc1 733812952 IJCAIAUBSBJUJK-MHWRWJLKSA-N 435.368 4.297 10 20 IICD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2c(O)ccc3c2CCCC3)c1 743716984 FILPVOJNEBCDLN-UHFFFAOYSA-N 436.581 4.185 10 20 IICD CS(=O)(=O)Cc1nc(COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cs1 744549761 AOAVKULXRDINPI-UHFFFAOYSA-N 431.495 4.166 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2c(CCc3ccccc3)nnc2C1 744598926 KBAXEVMBDAFWCR-UHFFFAOYSA-N 431.565 4.188 10 20 IICD Cc1cccc(-c2ccc(CNC(=O)C(=O)NCCCSc3nccs3)cc2)c1 749730997 IIVDSLLARWYUOZ-UHFFFAOYSA-N 425.579 4.033 10 20 IICD CCOC(=O)Cc1nnc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)s1 752452298 ANEXHLPHIJDHJK-UHFFFAOYSA-N 438.513 4.377 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1F 753863856 NHQNJBSQTSXWEX-UHFFFAOYSA-N 427.476 4.230 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)cc1F 753879355 LSBLEFBKCWKWEJ-UHFFFAOYSA-N 439.487 4.498 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 756154692 CQIJXFUSWDGUOE-UHFFFAOYSA-N 447.539 4.057 10 20 IICD CN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CCCCC2)cc1 759692654 QWNLRLJKKSMOHF-UHFFFAOYSA-N 431.527 4.369 10 20 IICD C[C@@H](c1ccccc1)n1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 760079273 QWWOVKSWSZJIBD-IBGZPJMESA-N 433.556 4.023 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1F 764140512 JQSZVKMEDAOLIB-HXUWFJFHSA-N 434.353 4.237 10 20 IICD CCc1cc(Br)ccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 764230810 OTECMZYHPGOKIN-UHFFFAOYSA-N 436.325 4.309 10 20 IICD O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NCc1cccc(Br)c1O 764764358 OYGSTLLQBUELBJ-UHFFFAOYSA-N 446.345 4.283 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cnc(Cl)c(Br)c1 765347872 ZUAQKSMGCCWAKH-UHFFFAOYSA-N 435.503 4.287 10 20 IICD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1cccc(Br)c1O 765902567 ATJDYRYKTALMIF-UHFFFAOYSA-N 449.345 4.033 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 766410838 FGSYOYBOOUDWML-OAHLLOKOSA-N 435.927 4.004 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CCCc2sccc21 767306371 SWXNCHOQCHGQHT-SFHVURJKSA-N 439.503 4.480 10 20 IICD Cc1ccc(CNC(=O)C2CCN(Cc3cc(Br)ccc3O)CC2)cc1F 768320696 YYZULNTYCMCQQW-UHFFFAOYSA-N 435.337 4.131 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](O)c3ccc(-c4ccccc4)cc3)CC2)cc1 768329421 YIQPGFSPVIGGMB-SANMLTNESA-N 445.563 4.364 10 20 IICD COc1ccc(-n2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2C)cc1 770725669 TVSDCOOIYLEMJT-DEOSSOPVSA-N 448.567 4.077 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl 773096175 BNLGEGOKZOIRCU-MSOLQXFVSA-N 437.005 4.080 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 774945726 BZXVNICPZHKCEP-GFCCVEGCSA-N 426.319 4.001 10 20 IICD C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1cccc(Br)c1O 775146896 RKYBOAABCQMFOH-CYBMUJFWSA-N 425.754 4.335 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1 777874512 CMRXXYQEZMBARP-ATVHPVEESA-N 440.546 4.147 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNc2cccc(C(=O)N3CCC[C@H]3CO)n2)cc1 779521793 UCIKQUGJYCARAC-DEOSSOPVSA-N 444.579 4.317 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 779546786 ZZCJGPXYHFRYAA-AVIJNYRZSA-N 448.544 4.186 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 780275469 XROVRDHTCMJZPW-UHFFFAOYSA-N 436.449 4.371 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 793134167 RGNOHQVTLCJAOX-UHFFFAOYSA-N 446.617 4.327 10 20 IICD CCOc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 793828337 LTBQNNKNOBQBMF-IBGZPJMESA-N 449.551 4.151 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1 794949291 MLUNNGDJWKAFNC-AWEZNQCLSA-N 437.462 4.065 10 20 IICD CC(C)(C)OC(=O)NCC1CCC(NCc2ccc(N3CCC(CO)CC3)cc2)CC1 796282389 WGKXHQAFURMLAP-UHFFFAOYSA-N 431.621 4.068 10 20 IICD CC(C)CNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 799994565 QTDGEBTWNMVUSM-GOSISDBHSA-N 449.039 4.270 10 20 IICD CCOc1ccccc1OCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C 800763100 KKKSNOQGKVPGSR-UHFFFAOYSA-N 435.572 4.420 10 20 IICD CSCC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2ccccn12 806346389 KXCBWBBIAKTKBV-CQSZACIVSA-N 440.356 4.035 10 20 IICD O=C(NCc1ccncc1OCc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 807431321 AAQXTJINFKJMHO-QHCPKHFHSA-N 447.535 4.257 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)Nc3cccc(OC(F)(F)F)c3)cc2F)C[C@@H](C)O1 849083654 CHJSXJDWGSLRPA-OKILXGFUSA-N 440.441 4.474 10 20 IICD CC(C)Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C(F)F)n1 857455751 HRKDUIQUKOTVBO-AWEZNQCLSA-N 442.457 4.477 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1 916631444 HHGCPCTWKOFDIK-OAQYLSRUSA-N 447.501 4.459 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2ccc(Br)cc2[nH]1 917385985 GVEVHPOGMZGAPD-UHFFFAOYSA-N 430.371 4.414 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(OC)c3ncccc23)n1 917898248 YZPZUEGXGYNURN-UHFFFAOYSA-N 445.497 4.315 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 918135351 RCUJCGIJMHUTRS-UHFFFAOYSA-N 434.540 4.055 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918220532 KSOVJHKVQBLZNT-KDURUIRLSA-N 442.579 4.237 10 20 IICD C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(N2CCOCC2)cc1 920879414 MCTRKPXAELBYQO-WYHNVWNDSA-N 447.417 4.434 10 20 IICD Cc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cc1 1800719199 XSCVEBNPVALJQK-DQEVTTJGSA-N 442.943 4.115 10 20 IICD Cc1noc(N)c1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 16326789 YASMJONYKICDRG-CYBMUJFWSA-N 433.411 4.002 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 23745042 ZJCBUWWDQQVFMF-QFIPXVFZSA-N 429.564 4.417 10 20 IICD CC(C)c1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccc(C(F)(F)F)cn1 36760646 LTKYUSAAFJGSQN-UHFFFAOYSA-N 431.462 4.406 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Br)cs1 195715254 XFVXKKIJMBRKOL-UHFFFAOYSA-N 449.292 4.296 10 20 IICD CCN(Cc1cc(Br)ccc1O)c1nn2cc(-c3cccnc3)nc2s1 302156108 IURHHELVJMDVHL-UHFFFAOYSA-N 430.331 4.347 10 20 IICD CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccccc1S(=O)(=O)CC 443995894 WYLWNZFWXQOPCR-UHFFFAOYSA-N 442.581 4.365 10 20 IICD Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)N2CCCC2)cc1 726245002 GCYKTXKLGBVIDY-BWKNWUBXSA-N 436.600 4.029 10 20 IICD O=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566878 GLZBTEDDKIIECT-UHFFFAOYSA-N 438.421 4.314 10 20 IICD COc1ccc(N2CCCN(Cn3nc(Cc4ccccc4F)oc3=S)CC2)cc1 727819326 RECPIKYQWGAKMY-UHFFFAOYSA-N 428.533 4.114 10 20 IICD C[C@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1 729571476 VKFKUENAHXHOLH-IBGZPJMESA-N 432.524 4.380 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2ccccc2s1 730675725 XSVDZNDQDSJCFA-LPHOPBHVSA-N 436.581 4.163 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnn1-c1ccc(OC(C)C)cc1 731326766 YCUPHPWOJHJRLT-UHFFFAOYSA-N 433.556 4.234 10 20 IICD COc1cc(Br)cc(CNCC(=O)Nc2cc(Cl)ccc2Cl)c1O 732227650 AYACFTKSHBBJFR-UHFFFAOYSA-N 434.117 4.198 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 733643903 ANKYXIICOAIMJN-NRFANRHFSA-N 438.616 4.232 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 734073604 SBEMHHPIABEUFE-UHFFFAOYSA-N 426.856 4.101 10 20 IICD COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2)c1 734407486 ZBMPWMAEZKBXGB-UHFFFAOYSA-N 447.535 4.017 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1)C1CC1 737011666 YWJBIZHABJCJMR-UHFFFAOYSA-N 438.597 4.072 10 20 IICD Cc1noc(C)c1C[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 737664454 FDRMHZLQUGYIEX-UEMWTREESA-N 449.623 4.082 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1C 743046514 VNOPTQZDPRVKMJ-UHFFFAOYSA-N 447.405 4.268 10 20 IICD O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccco1)Cc1ccccc1O 743428512 ADDDXPYYRVMRBM-UHFFFAOYSA-N 426.856 4.166 10 20 IICD Cc1cnc([C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)s1 743554980 NRBVDUFXYUXUEW-MNVSYLFESA-N 432.565 4.155 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Oc1cccc(F)c1 743672924 KSXNMDVBZBWOHI-OAHLLOKOSA-N 437.462 4.163 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 743808722 CLZMKHRSXPEENU-UHFFFAOYSA-N 447.373 4.431 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 743890386 ZATMMLMUXYORMU-UHFFFAOYSA-N 448.336 4.176 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 748584359 OSQYPYXKVUOOCD-PDGQHHTCSA-N 429.523 4.465 10 20 IICD COc1ccc([C@H]2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)C2)cc1 749934787 WLEJALYGHKLBDR-UEXGIBASSA-N 441.547 4.147 10 20 IICD C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756382873 FROHNLSVNFXECC-BJOHPYRUSA-N 433.115 4.441 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1cc(Cl)ccc1O)CC2 756706354 MKYSYEHOHLHURJ-OAHLLOKOSA-N 432.948 4.079 10 20 IICD COc1cc(N2CCN(C(=O)c3cc(Cl)ccc3OC(C)C)CC2)cc(OC)c1OC 759238580 AWNGUDFRSUYYSA-UHFFFAOYSA-N 448.947 4.115 10 20 IICD COc1cc(N2CCN([C@H](C)c3ccccc3Br)CC2)cc(OC)c1OC 759873633 XICOEODYVMGXGV-OAHLLOKOSA-N 435.362 4.358 10 20 IICD Cc1cc(C)n(-c2ccccc2CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 761779276 QPNHARVYBMEGBO-QFIPXVFZSA-N 434.540 4.086 10 20 IICD C[C@H](NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 763075359 AZTPGOZTWZQIBI-NBGIEHNGSA-N 437.584 4.056 10 20 IICD COC1CCN(C2(CN[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)CCCC2)CC1 765859419 KKTSWEINRTTZFP-IBGZPJMESA-N 436.040 4.251 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccccc1C(=O)c1ccc(Br)cc1 768900371 HMCUHQZRCJEARW-UHFFFAOYSA-N 440.293 4.064 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 770147990 NPKFHJWSQUFLFI-UHFFFAOYSA-N 428.558 4.491 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](OC(C)C)c3ccccc3OC)CC2)cc1 770488733 AJQVKZHYROGUIC-XMMPIXPASA-N 441.572 4.138 10 20 IICD COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCSC2(CCOCC2)C1 771583185 NGLAILDMLZWUSU-UHFFFAOYSA-N 447.578 4.097 10 20 IICD CN1CCN(c2ccc(CNc3cccc(CS(=O)(=O)Cc4ccccc4)c3)cc2)CC1 771853973 IKOGADFKJRKLAN-UHFFFAOYSA-N 449.620 4.166 10 20 IICD C[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc(N2CCOCC2)cc1Cl 773087382 LBEDDUVEYQJSTJ-RBUKOAKNSA-N 429.008 4.448 10 20 IICD CN1C(=O)CCc2cc(/C=C3/SC(=S)N([C@H]4CCc5ccccc5C4)C3=O)ccc21 773902547 XHBYUDLJULZXEX-IOVUBPJKSA-N 434.586 4.354 10 20 IICD CC[C@H](CSC)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 773972058 JCYQSOOYPCIIHI-WDGDVPDHSA-N 428.670 4.330 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 774889680 MCCKOFZYHDLSSQ-MRXNPFEDSA-N 446.389 4.130 10 20 IICD C[C@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 775258503 CGWVKMWBZDJWCH-AWEZNQCLSA-N 441.881 4.485 10 20 IICD Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cnc2c1Cl 776082393 GEOLYFLJHRSWBO-UHFFFAOYSA-N 437.909 4.063 10 20 IICD Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 777827096 WLFJQRGPVAEYEB-SFHVURJKSA-N 429.524 4.169 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCO2 777914892 DOPNVWGNWWEALA-UHFFFAOYSA-N 426.475 4.198 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1O 779040949 QXGFCFBNEPZWEY-HNNXBMFYSA-N 433.346 4.038 10 20 IICD CCOC(=O)/C(=C\c1cnn(Cc2ccc(F)cc2)c1)c1nccn1Cc1ccccc1 780188217 YYBHDZMDCQIQSN-UCQKPKSFSA-N 430.483 4.419 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3Cl)C2=O)cc1 782190358 ZLKBJFSLXUODMB-RQZCQDPDSA-N 449.937 4.306 10 20 IICD Oc1c(Br)cc(Br)cc1CNc1ccc(OC2COC2)cc1 783718409 CMPVJNSFIJRKGH-UHFFFAOYSA-N 429.108 4.307 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 784027784 MTOCGJQBXPIYII-UHFFFAOYSA-N 425.710 4.185 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 785813577 MJOAJEZPPBKKGZ-HXUWFJFHSA-N 445.357 4.079 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)s1 788644409 SRWVRWQRFKRKEB-GFCCVEGCSA-N 436.521 4.354 10 20 IICD CS(=O)(=O)c1ccc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 789906719 AVKHATYZEVIABN-IBGZPJMESA-N 428.579 4.425 10 20 IICD COc1ccc(CNC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c(O)c1 792970017 GARUEDVCVVNYBF-OAQYLSRUSA-N 436.508 4.201 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2C)cc1 796332747 IZUFLMRCIHZKHF-DYESRHJHSA-N 438.490 4.168 10 20 IICD CC(C)Cc1ccc([C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)cc1 804102930 HMWLGPJZCGPBGN-VWLOTQADSA-N 431.580 4.145 10 20 IICD Cc1cc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c(C)n1-c1ccc(Cl)cc1 808052686 XOOGFPSTLRDGPI-UHFFFAOYSA-N 436.947 4.020 10 20 IICD Cc1cc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ccc1N(C)C 815065153 SBWRBIJMYXTFAD-UHFFFAOYSA-N 431.378 4.069 10 20 IICD COC(=O)c1ccc(OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914046508 NAJZRPYWZDDCCV-VBKFSLOCSA-N 447.559 4.122 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 915061276 LMCWOPZADUWEET-UHFFFAOYSA-N 447.510 4.187 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 917658157 RUTVOTWGWVOJKD-UHFFFAOYSA-N 431.602 4.337 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1OC(F)(F)F 918308995 SIMHKXHTPCHXGS-UHFFFAOYSA-N 435.446 4.173 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)ncc3Br)c2C)cc1 1321074292 JIDZNUZRZPYBPV-UHFFFAOYSA-N 442.313 4.303 10 20 IICD COc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCC(CO)CC3)cc1)c(C)n2C1CC1 1321951351 GRODROVGNKBXDO-UHFFFAOYSA-N 447.579 4.432 10 20 IICD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 1323116999 INQVOZPLQMPMKE-UHFFFAOYSA-N 436.556 4.087 10 20 IICD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738939 YOYUHXKZHWRYJZ-NLWGTHIKSA-N 446.975 4.031 10 20 IICD Cc1oc(CO)cc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 10725318 FQEBFMBBHDTHTO-UHFFFAOYSA-N 446.297 4.290 10 20 IICD O=C(NCCCSc1nccs1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 733880276 DLLSIYAPCFAYKV-OAHLLOKOSA-N 444.409 4.353 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 734688918 UOWWFNFQMMTCHX-UHFFFAOYSA-N 447.421 4.097 10 20 IICD O=C(NCc1coc(-c2cccs2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743516591 IEDUFIYULJIMTK-AWEZNQCLSA-N 448.495 4.473 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCCN(c2ccccc2)C1 745826973 ZZPJKYKCZOJHMT-SFHVURJKSA-N 432.362 4.355 10 20 IICD COc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 745906055 VKDQPMYYJRLHOM-MRXNPFEDSA-N 437.462 4.246 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)cc1 746683707 NTYBAXLYIDDDKU-QGOAFFKASA-N 428.535 4.012 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 747593852 GZGMQHPZCCFZJL-UHFFFAOYSA-N 433.936 4.313 10 20 IICD CC(=O)NC1CCC(N(C)C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 753292588 UFPUFTTYIWZTPC-UHFFFAOYSA-N 446.389 4.376 10 20 IICD COc1ccc(N2CCN(Cc3csc(-c4cccc(OC)c4OC)n3)CC2)cc1F 753856665 DRYSBXXUKLXYGR-UHFFFAOYSA-N 443.544 4.297 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1ccc(Br)cc1O 756638887 WUTZKWXPOLHTDE-LLVKDONJSA-N 427.726 4.496 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)sc1Br 758492474 OHQWAZIIVSQRQC-UHFFFAOYSA-N 427.389 4.002 10 20 IICD Cc1cc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 758809919 QOMSJCKIZXMTQY-HKUYNNGSSA-N 426.561 4.255 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC(C)C 760965869 DZVCOXFKDVXWAU-UHFFFAOYSA-N 427.545 4.013 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2ccc(F)cc2F)CCCC1 761169298 NEKXYMFTDSFBOT-UHFFFAOYSA-N 428.523 4.302 10 20 IICD Cc1ccc(C[C@@H](c2ccccn2)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761300787 HGMVPZCSZJUQJS-NRFANRHFSA-N 435.911 4.497 10 20 IICD COCc1nc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1 761876343 NGAHBHRXLZHLRD-ZDUSSCGKSA-N 436.484 4.324 10 20 IICD C[C@H]1Cc2ccccc2N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 769770049 YHHUJQKKEGZNCX-AWEZNQCLSA-N 428.535 4.094 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc(C)c(C)s3)sc2C)s1 773366942 VWGYLHVGDDMPCR-UHFFFAOYSA-N 441.625 4.295 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)cc1 775143609 GFRVNUBUJLIDON-UHFFFAOYSA-N 434.490 4.092 10 20 IICD C[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 775255404 OMJKNHRGLPDYRW-CVEARBPZSA-N 436.383 4.358 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@H](c1ccco1)N1CCCC1 775784681 FVSDNQHZWQJIKK-OAHLLOKOSA-N 444.167 4.437 10 20 IICD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1(C)C 781036251 PXPYZCQREXHXGY-XKPFWTEKSA-N 433.593 4.028 10 20 IICD CC(C)c1ccc(C2(O)CCC(NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 781892152 WCZWHECDXHMEBF-PWKHNDMNSA-N 449.639 4.432 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1C(C)C 783316810 NFXRBPKKFMEMON-UHFFFAOYSA-N 441.572 4.269 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3ccc(OC(F)F)cc3)cc2)CC1 787853032 CVFGCUZXVVUFHI-QGZVFWFLSA-N 445.510 4.018 10 20 IICD COc1cc(N2CCC(Nc3cccc(Br)c3)CC2)c([N+](=O)[O-])cc1OC 788569809 XEKTZYXJSDNYPV-UHFFFAOYSA-N 436.306 4.455 10 20 IICD Cc1ccc(NCc2cc(Br)ccc2O)cc1S(=O)(=O)NC(C)(C)C 796435865 SYDIXIIVDWEWRZ-UHFFFAOYSA-N 427.364 4.152 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc([S@@](C)=O)cc2)cc1 797870755 MGQAORLZGVXLSM-WJOKGBTCSA-N 436.577 4.275 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2Cl)C1 800050689 ZLGJJXMTIVFLAK-MRXNPFEDSA-N 434.989 4.051 10 20 IICD Cc1cc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C)c(C)n1-c1ccccc1 800742349 HXBWOXIOHVHFPF-HXUWFJFHSA-N 448.615 4.268 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1 802352264 RDIMDZHVZNFJRW-FQEVSTJZSA-N 425.529 4.214 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OCC2CC2)CC1 802535233 BVPJXZIVTWXSOO-UHFFFAOYSA-N 449.599 4.394 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815629481 DZPHOTMDFHNXPM-UHFFFAOYSA-N 426.948 4.388 10 20 IICD COC(=O)C(C)(C)c1csc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 817261341 POVIBFHGGXAJGA-UHFFFAOYSA-N 427.526 4.262 10 20 IICD CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 914141462 ISZQZQRPHLZPFG-UHFFFAOYSA-N 439.493 4.415 10 20 IICD Cc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(C)n1-c1ccccn1 914872988 PHQREAHTSOSRKF-WOJBJXKFSA-N 432.568 4.028 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 916671083 FZUCIUQRFUFTEZ-IYBDPMFKSA-N 431.508 4.168 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CCc3c(Cl)cccc31)c2[N+](=O)[O-] 920012614 WPUATILWVYIMPP-LJQANCHMSA-N 446.846 4.441 10 20 IICD C[C@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 920887225 BKJWVHWNGVXXCY-INIZCTEOSA-N 445.548 4.081 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H]1C[C@@H](C)c3c(C)ccc(O)c31)CC2 1254730863 YMPWWRZFKMSSTM-XLIONFOSSA-N 438.568 4.221 10 20 IICD CN1CCN(c2ccc(CN3CCC(c4nc(-c5ccccc5)no4)CC3)cc2F)CC1 1319814323 AXCDEOIGQIMUNQ-UHFFFAOYSA-N 435.547 4.007 10 20 IICD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)cc1F 1790262848 POZXJCPWIJDFRL-UHFFFAOYSA-N 435.455 4.002 10 20 IICD CC(C)CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301504 ZEZWKPMGKXUEDK-AWNIVKPZSA-N 438.524 4.387 10 20 IICD Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 10732655 UJGVMJYZTNMEQN-UHFFFAOYSA-N 433.847 4.219 10 20 IICD CN(c1ccc(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1)C1CCCCC1 111157405 RJTLBSGZDJVAFS-UHFFFAOYSA-N 435.568 4.229 10 20 IICD Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(N(C)C)c(F)c4)CC3)c2c1C 303034740 YDNBEROCNUXGDU-UHFFFAOYSA-N 441.576 4.046 10 20 IICD Cc1c(CNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n(C)c2ccccc12 471228109 UPUPLIOSIOPABE-UHFFFAOYSA-N 431.393 4.155 10 20 IICD CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 581515429 QDFMVYRXNICTMY-XMMPIXPASA-N 446.532 4.008 10 20 IICD COc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c(C(F)(F)F)c1 726615376 LJGAXQMXNMWFRV-UHFFFAOYSA-N 439.503 4.267 10 20 IICD CCN(Cc1ccncc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 727375865 FBIHEUJKKYEHED-LGMDPLHJSA-N 431.608 4.173 10 20 IICD Cc1ccccc1CN1CCCN(C(=O)CN(Cc2ccccc2O)C2CCCC2)CC1 731847246 HSAVFASVEDWOGL-UHFFFAOYSA-N 435.612 4.180 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)cc1 732477791 RAGHNZMNVJFAEI-UHFFFAOYSA-N 443.547 4.211 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 734471661 SPYYNHDJZZBROH-UHFFFAOYSA-N 443.547 4.216 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 734524822 CSCCOJQCAHATRK-QGZVFWFLSA-N 445.405 4.149 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c1O 737284888 WCEFVNADMWDMSD-UHFFFAOYSA-N 428.554 4.222 10 20 IICD O=C(c1cc(F)ccc1F)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 740919556 AOGPHAWQJLLRGE-UHFFFAOYSA-N 425.479 4.146 10 20 IICD Cc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 742387426 AKTUZYIILGRSOG-DEOSSOPVSA-N 426.557 4.483 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Oc4cnccn4)cc3)SC2=S)c1 743058183 HLHNDPMVUNZDOQ-YVLHZVERSA-N 435.486 4.373 10 20 IICD Cn1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc2cc(C(F)(F)F)ccc21 743314872 TZHQEGNGWHUDAY-UHFFFAOYSA-N 449.448 4.227 10 20 IICD Cc1cc(CC(=O)NC2CCN(CCOC(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 747418999 GQCXAFGEBNRZGY-UHFFFAOYSA-N 432.008 4.296 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c1 747755047 LYUJWKCKBKLKCO-GFCCVEGCSA-N 444.409 4.301 10 20 IICD CCOc1c(OC)cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 750895103 FEXCGQNEGQFDIP-YVLHZVERSA-N 445.518 4.207 10 20 IICD Cc1cc(CC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1 751919504 ODWLDXAEYXXREO-LJQANCHMSA-N 430.976 4.334 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnccc2-c2cccc(F)c2)cc1 753551900 DESZJZJGTOTOES-UHFFFAOYSA-N 434.515 4.331 10 20 IICD COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3COC(C)C)CC2)cc1F 753737677 BZZNSHNEJPBWPX-UHFFFAOYSA-N 426.488 4.468 10 20 IICD C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)cc(Cl)c1O 756441374 LRJTUIHKWKVHNA-CYBMUJFWSA-N 446.794 4.464 10 20 IICD COc1ccc(N(C)Cc2csc(N(C(C)=O)c3ccccc3OC)n2)cc1OC 756486719 PARZXRUCBNVUFA-UHFFFAOYSA-N 427.526 4.490 10 20 IICD COc1ccccc1SC[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761246565 LHCBOQWZSLLFGA-AWEZNQCLSA-N 434.945 4.247 10 20 IICD O=C(CCCc1ccccc1Br)NCc1ccc(N2CCOCC2)c(F)c1 764927278 YFBBYRDWEWLHCN-UHFFFAOYSA-N 435.337 4.064 10 20 IICD CCn1cc(C(=O)NCc2cccc(Br)c2O)c(=O)c2cc(Cl)ccc21 765765473 SIANLXFPQBZWLJ-UHFFFAOYSA-N 435.705 4.073 10 20 IICD C[C@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765852331 VGRWWKOMGOWPLN-ZWKOTPCHSA-N 438.012 4.474 10 20 IICD O=C(Nc1ccc(Br)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 766175343 VACHQBISEKCUCT-UHFFFAOYSA-N 441.276 4.236 10 20 IICD C[C@H](NC(=O)CSc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 766403613 BXZMGFDJSFEHMG-HNNXBMFYSA-N 435.387 4.255 10 20 IICD Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cs2)o1 768912987 UEMTVNZRWCIPEZ-QGZVFWFLSA-N 445.972 4.394 10 20 IICD Cc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)n1 769974925 WTOLFVZGNBJOQK-UHFFFAOYSA-N 435.402 4.163 10 20 IICD COc1c([N+](=O)[O-])ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1O 772179518 UFNMBIWMXYETDU-IBGZPJMESA-N 426.816 4.129 10 20 IICD COc1cc(SC)ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 772658659 WLAPNWDHOARKGO-GJZGRUSLSA-N 433.549 4.492 10 20 IICD C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 777014385 GRAQUBMSDSVABB-RVHYNSKXSA-N 442.909 4.362 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)cc(Br)c2)cc1 777131067 ZRLDNUMMFXPZCC-UHFFFAOYSA-N 432.362 4.201 10 20 IICD CCSc1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1 777708165 BYUATGMEKQFITD-MRXNPFEDSA-N 436.528 4.263 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 778930705 YAMMTHILRHLHEB-UHFFFAOYSA-N 427.844 4.202 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)CC1 781047402 OLQLLFIPCOLJET-UHFFFAOYSA-N 425.838 4.280 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 782702482 NOIHYLOTIZYQRW-UHFFFAOYSA-N 436.478 4.487 10 20 IICD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782896790 VCJHSJNCXMSFQP-UHFFFAOYSA-N 444.915 4.132 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784242463 WUAYVDDLVOULSR-IBGZPJMESA-N 433.474 4.241 10 20 IICD CCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1C1CCCC1 789624979 LZOVANJYZJTKQW-IRXDYDNUSA-N 428.552 4.243 10 20 IICD O=S1(=O)CCCN1c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 796274415 ZUWPEXALHOJXMX-UHFFFAOYSA-N 433.577 4.401 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 798084957 GOZMFVRHGIDMTD-DZGCQCFKSA-N 440.135 4.273 10 20 IICD CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806432682 PVOXVHCCCLRXMY-SFTDATJTSA-N 434.367 4.393 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)ccc21 807792408 KEJLOMAEIZWJPW-NRFANRHFSA-N 434.458 4.387 10 20 IICD Cc1cc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C2CC2)ccc1F 808840724 QJMNHIAYVBESRG-QHCPKHFHSA-N 425.548 4.205 10 20 IICD CC[C@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(C(F)(F)F)cc1O 810212804 FINKPTCMZSINMU-IBGZPJMESA-N 444.519 4.480 10 20 IICD CCOCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccccc1O 812199351 VMWOQFDMXSWAJO-UHFFFAOYSA-N 445.361 4.476 10 20 IICD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1cc(Cl)cc(Cl)c1O 813683197 WXJUJZPUCPNLEJ-KRWDZBQOSA-N 441.380 4.175 10 20 IICD C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)o1 814275550 ZPCCTIOFACOOKJ-OGIKGZIGSA-N 448.591 4.059 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nn(C)cc2Br)cc1 815547788 BZHNCXBTHUIXRV-UHFFFAOYSA-N 443.345 4.104 10 20 IICD Cc1cc(CC(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 899895053 FIMGNCNQSYZEHS-UHFFFAOYSA-N 449.935 4.439 10 20 IICD Cc1cc(C2=N/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)ccc1[N+](=O)[O-] 912758494 POPAFPAPGNGIKN-ATVHPVEESA-N 436.424 4.146 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3OC3CCCC3)cc2)C1 918039338 HXNIKYRIXWBDOX-IBGZPJMESA-N 436.556 4.031 10 20 IICD CN1CCN(c2ccc(CN3CCC([C@H](O)c4ccc(Cl)cc4)CC3)cc2F)CC1 1341568430 WUZFSFWMPRYWCG-XMMPIXPASA-N 431.983 4.177 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@H]1CC=CCC1 1820830814 XDVSYAOQBMRFHW-SUMWQHHRSA-N 444.919 4.137 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)COC3CCCCC3)C2)cc1 1841229911 HACHRGMGOYQDGO-UHFFFAOYSA-N 449.595 4.260 10 20 IICD CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 21277294 KBFMJFWHEASOGG-YDZHTSKRSA-N 434.467 4.136 10 20 IICD CNC(=O)Cc1ccccc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 108452990 ODMRXMWQRKDFBA-UHFFFAOYSA-N 440.341 4.397 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1C 110696125 DCLFRBKYSBKDCM-VWLOTQADSA-N 430.596 4.121 10 20 IICD Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c2C)no1 206152102 WWQRXVWRQQIISZ-LICLKQGHSA-N 439.518 4.495 10 20 IICD CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 726092368 GSSBOVXXCSGMGI-SFHVURJKSA-N 435.524 4.426 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 727391980 LMVWYVHIWODQOW-HNNXBMFYSA-N 445.972 4.147 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 728979860 OZHZAWBBVOGHTH-NSHDSACASA-N 427.379 4.007 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(Cc2ccc(F)cc2)s1 730385311 ASCMJPOCGPOMMM-UHFFFAOYSA-N 443.573 4.143 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(OCCCN(C)C)cc3)cc2)CC1 731047977 ATLIHUMPFGUDGI-UHFFFAOYSA-N 438.616 4.253 10 20 IICD Cc1nc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nn1-c1ccccc1 731743344 QNUBRGODORPPCG-UHFFFAOYSA-N 432.455 4.162 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)c1 732479824 UHWQRBRNJFUUED-UHFFFAOYSA-N 443.547 4.429 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 740389372 QAPCLYXEZXXZQT-OAHLLOKOSA-N 425.403 4.145 10 20 IICD CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCCC1 741086162 XONCTUHGFLEWLB-UHFFFAOYSA-N 428.577 4.090 10 20 IICD CN(C)c1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1F 742384563 IFUOJCVYLBJKKX-QHCPKHFHSA-N 448.510 4.453 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(OC[C@H]2CCCO2)c1 742797502 DLPKAGFGQZVLGP-PGRDOPGGSA-N 446.494 4.245 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 742952762 QQSIOPCHPUCLKG-QHCPKHFHSA-N 428.488 4.246 10 20 IICD COC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743107348 CDSHBGYLVMECKC-MRXNPFEDSA-N 434.443 4.257 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 743166969 FCVVNUQFLMQPAR-UHFFFAOYSA-N 430.512 4.220 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1CC(F)(F)F 743213849 SKJPLYQDXIWOFS-UHFFFAOYSA-N 425.426 4.213 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c(O)ccc2c1CCCC2 743719430 ZIHVRPVOLDKEHO-FQEVSTJZSA-N 447.000 4.092 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO 747456046 KKOYPLBRDBPBIE-LJQANCHMSA-N 449.389 4.489 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccccc1I 751305431 FASCVPATGDOJNG-UHFFFAOYSA-N 440.244 4.253 10 20 IICD Cc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C(=O)N(C)C 751555711 PEUCGCQUFOLQTJ-UHFFFAOYSA-N 446.498 4.089 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccnc1-c1ccccc1 755065363 QYDIQTWXQZEQLH-UHFFFAOYSA-N 428.536 4.336 10 20 IICD C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)cc(F)c1O 756475324 ODHOZDFLHKIVEJ-YJYMSZOUSA-N 441.316 4.157 10 20 IICD CCC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756515971 OYRVABKAZCZPES-HTAPYJJXSA-N 439.556 4.237 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3cc(C)ccc3O)c2)cc1 756583646 PKNBNFLCUDZHCG-KRWDZBQOSA-N 426.538 4.361 10 20 IICD COc1cc(N2CCN(C(=O)[C@H](C)CCCc3ccccc3)CC2)cc(OC)c1OC 759220038 GAVKQATYLSLPNI-LJQANCHMSA-N 426.557 4.020 10 20 IICD COc1cc(N2CCN(C(=O)/C=C(/C)c3ccccc3Cl)CC2)cc(OC)c1OC 759236272 BJGCJSWHQKEYPB-SSZFMOIBSA-N 430.932 4.118 10 20 IICD O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 761563514 HFMVOPTUCJIWLB-IBGZPJMESA-N 445.441 4.418 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 763060323 ZUKNKYJSWWIHEZ-VNQPRFMTSA-N 431.421 4.066 10 20 IICD O=C(c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1F)N1CCCC1 763393871 YQHQCNHYMVNMOM-UHFFFAOYSA-N 445.560 4.243 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)c(O)c2)cc1 763553705 JVLHMHNAEWMVFP-SFHVURJKSA-N 433.346 4.042 10 20 IICD CC(=O)OCCc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 764703615 VNWSBMWDSCXKKG-UHFFFAOYSA-N 447.482 4.184 10 20 IICD Cc1ccc(C)c(-n2ncc([C@H](C)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C)c1 765245456 PQLPNUSKCXUXKL-REWPJTCUSA-N 445.611 4.350 10 20 IICD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 766294024 GSXDXLDDWKLLEV-ZJSXRUAMSA-N 435.499 4.407 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1-c1ccccc1 766498141 ZGCPRHUHCAWJKR-UHFFFAOYSA-N 426.479 4.376 10 20 IICD Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c(N2CCOCC2)c1 766539981 NUIJATFVQUQYDE-IBGZPJMESA-N 429.992 4.172 10 20 IICD O=C1/C(=C\c2ccc3ccc(Br)cc3n2)SC(=S)N1Cc1ccon1 771512805 FGDVZHXQDXAYJG-OVCLIPMQSA-N 432.324 4.387 10 20 IICD Clc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(I)c1 775027803 JGSRECMBNPINOE-UHFFFAOYSA-N 442.728 4.071 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(Oc4ccccc4)cc3)nc12 775333586 UOFBLPIDOGWTKZ-MRXNPFEDSA-N 432.480 4.255 10 20 IICD CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1O 775541394 XZKJSIBHRPXOMS-OALUTQOASA-N 438.399 4.029 10 20 IICD COC(=O)Nc1ccc(CNC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 776010512 OUOKCRXIPDBUHX-LJQANCHMSA-N 447.535 4.450 10 20 IICD C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 777302443 PRERUSWIQOWJBV-VDHZBSNTSA-N 445.629 4.407 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)cc2F)CC1 781422857 YSLCSYPFQUEVLK-LLZJGCNPSA-N 437.603 4.177 10 20 IICD CC(C)(NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CCOCC1 786343972 GYNPVFCCSXYTFY-DTQAZKPQSA-N 438.640 4.051 10 20 IICD C[C@@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(Br)cc1O 786982735 RPWPDRDKCYQKGL-XIKOKIGWSA-N 439.300 4.275 10 20 IICD CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1c2ccccc2-c2ccccc21 788931100 FGUASHBLKNGDIX-UHFFFAOYSA-N 425.532 4.131 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 789587969 AKSTZZNESVHMRH-UHFFFAOYSA-N 432.524 4.186 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3Cl)SC2=S)cn1 790593381 ZSJPOBQDWVYAIH-LZYBPNLTSA-N 429.958 4.207 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OCCC(C)C)c1 790697258 XJPORUFCUJFYPT-UHFFFAOYSA-N 444.547 4.150 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(C)n1-c1ccccn1 804130427 YBLWEWFKFJRPKU-HSZRJFAPSA-N 444.579 4.233 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)cc2Cl)C1 807075092 PSRPLTJRUVPCQX-MRXNPFEDSA-N 443.975 4.059 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 807506361 VRKUYQDGPPDKOZ-IFMALSPDSA-N 425.548 4.083 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)n2)s1 915290437 HLFBQVRVKOQEDV-UHFFFAOYSA-N 425.513 4.152 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccnc1OCc1ccccc1 916687696 CPEDUVLDBIPOPW-UHFFFAOYSA-N 432.524 4.161 10 20 IICD Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1F 917173720 MPNPTDKGUWJPBW-UHFFFAOYSA-N 448.542 4.105 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1 917846153 MGEVDMLRQJVZNZ-UHFFFAOYSA-N 427.551 4.066 10 20 IICD O=C(NCCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCSCC2)cc1 918207679 IDGYOVRZAKWJTL-UHFFFAOYSA-N 439.503 4.180 10 20 IICD CCNC(=O)c1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 919656045 WTKMQLQEQKTLAK-UHFFFAOYSA-N 434.540 4.007 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1C1CCCC1 1116412910 PVBZQWJRFACBSH-UHFFFAOYSA-N 436.478 4.092 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2)cc1 1795011652 YPXXOAJMYSSXHR-VILGAWFOSA-N 428.536 4.055 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824104646 CBGUHIOLLRTNET-YLJYHZDGSA-N 446.975 4.341 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC(F)(F)C2)C3)cc1 1845397660 CKRHNMWPZRXMRV-HXUWFJFHSA-N 441.522 4.347 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(OC(F)F)c(Cl)c1 96971029 PTHSBEHWTMKVLT-INIZCTEOSA-N 440.874 4.267 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1F 97554471 OMYGMZCVAXTAIL-UHFFFAOYSA-N 440.515 4.344 10 20 IICD Cc1nc2cc(F)cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2nc1C 726565383 FPABJLYPDFTRHH-UHFFFAOYSA-N 444.457 4.386 10 20 IICD O=C(CN1CCC(CCN2CCOCC2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 726599702 KBKYKABIXJJIPL-UHFFFAOYSA-N 435.572 4.475 10 20 IICD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 728134712 KBBGVHNSFAUZDW-IBGZPJMESA-N 431.536 4.456 10 20 IICD O=C(NC[C@@]1(O)CCCc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 731407934 QVSGYSXEDDGBEG-VWLOTQADSA-N 428.492 4.381 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1Cl 733351564 JSORJZNAHTWUQE-UHFFFAOYSA-N 447.982 4.465 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 734468115 MLEJOSSTAZVNMY-XMMPIXPASA-N 446.551 4.269 10 20 IICD Cc1cc(F)ccc1-c1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)o1 734556019 GKKVZFXWNAKSFO-ZHZULCJRSA-N 446.569 4.318 10 20 IICD O=C1/C(=C\c2cc(Cl)c3c(c2)OCCO3)SC(=S)N1c1ccc2c(c1)OCO2 735332204 XSZUYHOTVWVBRG-FRKPEAEDSA-N 433.894 4.246 10 20 IICD Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cn1 735518252 RORRJNOUTXPRBC-XMMPIXPASA-N 432.520 4.496 10 20 IICD Cc1cccc(-c2nnc(S)n2CC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 735926789 DZQGAEOEPKCJGB-UHFFFAOYSA-N 434.521 4.070 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ncccc3c2)NC(=O)OC(C)(C)C)cc1 742753056 IMJAEWXPSWDIPQ-JOCHJYFZSA-N 434.540 4.297 10 20 IICD COCCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1 743109187 QYVIKSXEEPWZEV-QGZVFWFLSA-N 449.498 4.412 10 20 IICD COc1ccc2sc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)c2c1 743313344 JISJEPVDOMLEDT-UHFFFAOYSA-N 428.529 4.249 10 20 IICD Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)sc2nc3n(c(=O)c12)CCCCC3 743716329 PHDFSHSCPIKCQV-UHFFFAOYSA-N 437.565 4.007 10 20 IICD CCn1ncc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc21 746772408 QHWIZGNHQUISJJ-UHFFFAOYSA-N 447.461 4.233 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1C 755985409 ZFDICEHHISGAMU-UHFFFAOYSA-N 442.331 4.394 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCCCSc2nccs2)CC1)c1ccccc1 759575040 NKDBJEISQAZJOH-LJQANCHMSA-N 446.642 4.109 10 20 IICD Cc1noc(C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc2)n1 759867434 ITYUVFFPYJWVQV-NRFANRHFSA-N 432.480 4.372 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC[C@H]1CCCCO1 760722732 RUNQEYHTLAKWDD-ARSNJYAISA-N 438.640 4.195 10 20 IICD CC(C)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 761022916 HBXLMWQESUNXTD-SFHVURJKSA-N 428.554 4.039 10 20 IICD COc1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O 761216474 YGBALHLNZFBGQA-NRFANRHFSA-N 441.959 4.489 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C1CC1 763119700 UCDZIOKTZHFKET-SFHVURJKSA-N 437.588 4.319 10 20 IICD Cc1ccc(CNC(=O)NCc2cccc(Br)c2O)c(OCC(F)(F)F)c1 764797648 LSVAPWXYUAAGBH-UHFFFAOYSA-N 447.251 4.404 10 20 IICD CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S 764861183 RVZBXHDDLGHKIQ-UHFFFAOYSA-N 434.569 4.273 10 20 IICD C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 765136312 LHZUZSIVRJKMCX-HZPDHXFCSA-N 449.364 4.481 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1 765757579 RAHCOSIKMXMABO-UHFFFAOYSA-N 443.272 4.476 10 20 IICD CC1CCN(C(=O)C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)CC1 768916247 XBEKGBURPFAPHW-UHFFFAOYSA-N 428.577 4.056 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 771765391 MQUOMKXFACKRFY-UHFFFAOYSA-N 438.406 4.114 10 20 IICD COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3cc(OC)ccc3O)n2)cc1 775369293 MYXJQGQTNACLED-KBPBESRZSA-N 427.526 4.211 10 20 IICD C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1)c1ccc(N(C)C)cc1 775406232 WHYQPJRLZZGEIH-HDICACEKSA-N 448.567 4.394 10 20 IICD Cc1cc(C(=O)N2CCC(Cn3cncn3)CC2)c(C)n1-c1cccc(Br)c1 779233347 QINPPAYBLITDHN-UHFFFAOYSA-N 442.361 4.001 10 20 IICD Cc1nc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc2)n[nH]1 783486245 OAMXEQHYRQLCPG-MRXNPFEDSA-N 440.507 4.095 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 787466617 XFHPBKIKLOJJJZ-KRWDZBQOSA-N 447.963 4.254 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCC1CCOCC1 790647605 WNZJDGFBSOLOIG-VKAVYKQESA-N 439.624 4.480 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-c2ccco2)nc1O 791247102 UXXAVCBCKCWCPN-UHFFFAOYSA-N 437.496 4.049 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(Br)c1 794679140 DSZKRYZIXCNSPS-CXUHLZMHSA-N 435.368 4.297 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 797817857 FRQZTFWKMSSLKF-UHFFFAOYSA-N 443.331 4.244 10 20 IICD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 800628126 TYFPIAHMXVJBGG-OAHLLOKOSA-N 436.443 4.357 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1)C1CCCCC1 803677561 QTQBLPOTPZPQHY-NRFANRHFSA-N 441.616 4.070 10 20 IICD CC(=O)NCC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 805824821 GFGNROCZIDUUIG-LJQANCHMSA-N 447.526 4.116 10 20 IICD Cc1cc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c(C)n1-c1cccc(Cl)c1 807895664 KUUZTSKNXXELKR-GOSISDBHSA-N 439.943 4.488 10 20 IICD CC[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C(F)(F)F)cc1O 810215993 AWXYMSBNILIOLO-NQIIRXRSSA-N 449.517 4.349 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCc2ccc(O)cc2C1 812063838 BVFQRUKVHAESPO-UHFFFAOYSA-N 443.551 4.267 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC12CCC2 813794141 JJXSBBDUBWOIES-SFHVURJKSA-N 443.588 4.392 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(OCC4CCCCC4)cc3)cc2)CC1 857494449 NXMZHJZKFIQCKT-UHFFFAOYSA-N 449.595 4.244 10 20 IICD O=C(Nc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1)C1=S=CC=C1 904717504 ZUUHPEBCDRDSAG-UHFFFAOYSA-N 426.295 4.382 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1Cl 915220243 LXGRMZQEHOOACZ-UHFFFAOYSA-N 438.914 4.044 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916670635 ZSFYKSOZBKMJCX-NRFANRHFSA-N 425.529 4.087 10 20 IICD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 917117906 ZOZBPWRUMLHKDG-QFIPXVFZSA-N 427.976 4.401 10 20 IICD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 917697607 CFDFLDFAXJOLCR-UHFFFAOYSA-N 435.549 4.364 10 20 IICD C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917938179 HGCDYXMZYFHZFF-CABCVRRESA-N 443.459 4.048 10 20 IICD Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 919767155 GDPIMSDRNSSUTI-UHFFFAOYSA-N 428.532 4.301 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(COCc2ccccc2)c1 919790459 IIPZJHSNBNOAQS-UHFFFAOYSA-N 445.563 4.239 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)cn3)C2)cc1 1844444088 SUAJJKAIZZVDMG-UHFFFAOYSA-N 448.954 4.273 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)c2cccs2)cc1 97001947 HNKLLCDBGOEKMN-QGZVFWFLSA-N 437.565 4.174 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 437006060 GUVFYVMGUJYQCP-JOCHJYFZSA-N 429.520 4.039 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1 726562197 FBLLWPVHFBIVMX-UHFFFAOYSA-N 444.457 4.299 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)CC2)cc1 726708897 GXYNPWXIUHPVCM-VWLOTQADSA-N 436.600 4.109 10 20 IICD CC[C@H]1CCCN1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 727733707 NYZPVDZINCMGPU-GWQWUEFDSA-N 439.400 4.051 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c2c(c1)C[C@H](C)O2 727860676 FXDPWPXYDCBJPG-NJDFMEINSA-N 440.546 4.383 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728120826 VAMOVQXYRZKDQE-UHFFFAOYSA-N 426.536 4.317 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728267393 JHOUWAOKKBHDEV-UHFFFAOYSA-N 431.458 4.362 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c1C 730246160 JZKQZUVOZMNNPV-UHFFFAOYSA-N 448.548 4.244 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 730389770 CESUGJBSOKWUBW-IBGZPJMESA-N 437.500 4.166 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)cc2)CC1 731049795 PCIGIFHYAOGVMM-NRFANRHFSA-N 435.490 4.475 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CCc2c(O)cccc21 733976847 DDTMMIVJGYYSAR-UWCCDQBKSA-N 444.603 4.239 10 20 IICD COc1cc(F)c([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 734068605 DKFMHQYSQYFHMB-RDJZCZTQSA-N 432.492 4.000 10 20 IICD Cc1cc(C(=O)CN2CCN(C[C@H]3CCCO3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 740942323 BRAVBLGSXMUBCX-OAQYLSRUSA-N 449.517 4.092 10 20 IICD O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1c1ccc(Cl)nc1 743282658 PPKDFMGYUPXUJB-PQMHYQBVSA-N 442.852 4.471 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@@H]2CCc3ccccc3C2)C1=O 743284353 LLFIHTFZZRZRMV-CTPANLQCSA-N 441.574 4.471 10 20 IICD COCCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)c1ccc(OC)c(OC)c1 746475750 XMZSHYDLFYDVPO-HHHXNRCGSA-N 432.369 4.271 10 20 IICD CCN(CCc1cccs1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 746945589 DAGBZXNZUMRLFW-UHFFFAOYSA-N 441.519 4.378 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 747296673 KFHURNSXEOAUDH-UHFFFAOYSA-N 426.630 4.446 10 20 IICD CN(Cc1ccccc1O)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 751236258 RRNBFGNZQGJOHV-UHFFFAOYSA-N 439.356 4.099 10 20 IICD O=C(CCc1cc(Br)ccc1F)NCc1ccc(N2CCSCC2)cc1 758492529 ONJWXETZBDBFAN-UHFFFAOYSA-N 437.378 4.390 10 20 IICD C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 758722248 MJLYQLTWSFBUDH-LJQANCHMSA-N 429.520 4.267 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC 759926625 AZHKRJGOPBNTDY-UHFFFAOYSA-N 427.545 4.364 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)c(C)c3)CC2)cc(OC)c1OC 759985371 IQNRQHJTHUAVPT-UHFFFAOYSA-N 443.544 4.162 10 20 IICD CC[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccccc1OCC(=O)N1CCCC1 761198565 QPUJEWWDBWUQNR-IBGZPJMESA-N 432.948 4.296 10 20 IICD Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1F 761959783 HKQUGXQGILRZLD-UHFFFAOYSA-N 435.902 4.418 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1C[S@](C)=O 762932204 UREMJSMPYNQXFB-VWLOTQADSA-N 425.348 4.087 10 20 IICD C[C@H]1CN(Cc2ccccc2NC(=O)NCc2cccc(Br)c2O)C[C@H](C)O1 765251784 LORPRXFQZPTMSO-GJZGRUSLSA-N 448.361 4.086 10 20 IICD COc1ccc([C@@H]2CCCC[C@@H]2NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1F 765257443 YFPKRYVVQLXLGW-SSPYTLHUSA-N 439.575 4.352 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 765659953 PGDLSWXTRYMWAY-ROUUACIJSA-N 433.593 4.478 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1 769652531 JXUYKQZDWRQBTJ-QFIPXVFZSA-N 436.489 4.029 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)c2)CC1 770149048 VQNUCGCYVZLYKH-UHFFFAOYSA-N 448.592 4.072 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)CC2)cc1 770174491 MPSITKKORCMOBY-UHFFFAOYSA-N 429.520 4.091 10 20 IICD O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1nc(-c2ccco2)no1 771191875 TUMHKOPQKJHSLX-JYRVWZFOSA-N 448.323 4.494 10 20 IICD Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773623365 HUDQIIYPHOTQFC-OAHLLOKOSA-N 447.377 4.213 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1O 774163548 MHYQWNDWBWAREG-ZDUSSCGKSA-N 431.385 4.378 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(COc2ccccc2)cc1 774274310 DIEZZDZXWRUQMQ-UHFFFAOYSA-N 430.504 4.105 10 20 IICD CC[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1O 775491162 BHQZTFICUQBXMQ-HNNXBMFYSA-N 428.360 4.385 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](c3cccc(F)c3)c3cnn(C)c3)cc2F)C[C@@H](C)O1 779020224 KLEJEAUXSHDDQO-SRGWNRLKSA-N 426.511 4.191 10 20 IICD CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O 779612461 ZPIOHIVCVNIJLH-QHCPKHFHSA-N 437.515 4.169 10 20 IICD CCOc1ccc(O)c(CN2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c1 779614958 WWDQSFCUPTXPMV-QHCPKHFHSA-N 437.540 4.176 10 20 IICD COc1cc(/C=C(\C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)ccc1O 781077947 BRZAXEAPCDUEGN-ULJHMMPZSA-N 444.531 4.094 10 20 IICD COC(=O)COc1ccc(N(C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1 784564686 OISZHPSPAPYOML-UHFFFAOYSA-N 426.538 4.086 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21 788460951 CATMZSNXVIKHRD-OAQYLSRUSA-N 441.572 4.128 10 20 IICD CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788909264 FVUDJYCPWFAILX-UHFFFAOYSA-N 431.939 4.134 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 788940696 YHUJVIDMYFQERI-UHFFFAOYSA-N 446.378 4.401 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc1 788977777 MQLKQLHPRXOPFY-HXUWFJFHSA-N 435.490 4.267 10 20 IICD CCOc1cccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1O 793369725 KWKFACPHXQIAKK-OAHLLOKOSA-N 434.252 4.395 10 20 IICD Cc1nc(SC(F)F)sc1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 793732006 SSXUAEWQSPPQJG-AWEZNQCLSA-N 428.526 4.222 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(O[C@H]2CCOC2)CC1 801918171 GQYQKIOESJATCR-QFIPXVFZSA-N 435.572 4.147 10 20 IICD Cc1cccc(CCCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 804145104 XGYIYSCUBISILS-JXAWBTAJSA-N 445.635 4.182 10 20 IICD O=C(NCC1(c2cccc(Cl)c2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807410934 ZJBNZBXFTZCFEK-UHFFFAOYSA-N 438.911 4.015 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccc(N(C)C)cc1 807672678 FWLJRRNURFYHBM-CQSZACIVSA-N 434.367 4.428 10 20 IICD Cc1ccc([C@@H](O)[C@H](C)NCc2cc(Br)cc(Br)c2O)cc1 809702473 UOGRBFVKWACYBJ-ZBEGNZNMSA-N 429.152 4.437 10 20 IICD CC(C)(C)OC1CC(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 809836950 QKYGACZGEOTNBI-UHFFFAOYSA-N 430.589 4.154 10 20 IICD CN(c1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1)C1CCCCC1 810214208 ROOKFMCXAFYEPC-XMMPIXPASA-N 427.614 4.270 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 914840438 BSQQOGNNVQNOFD-UHFFFAOYSA-N 435.612 4.361 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)cc1 917873146 WAMBMFXWVBTPNK-UHFFFAOYSA-N 433.580 4.035 10 20 IICD C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1nc(C2CC2)no1 919064348 RWXHBSXHLOCLPR-UXEDPAHQSA-N 449.579 4.294 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCO[C@H]1c1ccccc1 920240833 FCVYMHRWCCEJRL-GGAORHGYSA-N 425.598 4.207 10 20 IICD C[C@H](N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920866996 LFPPTWMPRJAJLQ-JKSUJKDBSA-N 437.462 4.100 10 20 IICD Cn1nc(C(C)(C)C)cc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1115835117 IOBWEKZYMPOJOX-SDNWHVSQSA-N 448.639 4.399 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)C)CC3)cc1 1823440957 ZAUPJRGSDACDHX-GOSISDBHSA-N 436.581 4.432 10 20 IICD CCC(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830609066 WOOCBYATIFTXGG-XMMPIXPASA-N 449.595 4.307 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(NC(=O)c4ccsc4)CC3)cc2)CC1 303288069 AFRIURVNPYETSX-UHFFFAOYSA-N 440.613 4.088 10 20 IICD CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 303396861 PWNKMPNQSZTDDY-UHFFFAOYSA-N 428.621 4.149 10 20 IICD Cc1c(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)n(C)c2ccccc12 466355258 FXMQLCLPPSMBNO-WIOPSUGQSA-N 428.536 4.126 10 20 IICD Cc1c(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)n(C)c2ccccc12 472231318 PSSOKDGEYHLZJS-IBGZPJMESA-N 442.445 4.212 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)CC2)cc1 729053095 AUHJQDDMGWCART-QFIPXVFZSA-N 429.948 4.101 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2ccccc2Cl)CCOCC1 740919756 LSKPLAAXVJHCFC-UHFFFAOYSA-N 425.960 4.264 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cc(F)c(F)c(F)c1)c2[N+](=O)[O-] 741193177 AVTCNXWZGDHWQR-UHFFFAOYSA-N 426.306 4.040 10 20 IICD CC(C)c1nn(C)c2sc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc12 742556870 MOBKGAUDCVAGIP-GASCZTMLSA-N 444.576 4.441 10 20 IICD Cc1cc(Br)oc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801071 XXULPWVRUMWLQZ-LBPRGKRZSA-N 429.261 4.351 10 20 IICD O=C(Nc1cccnc1N1CCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743097045 GLJOAQBOKIJARF-MRXNPFEDSA-N 431.487 4.074 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 743958480 ZJGSFDUQNVZLNH-UHFFFAOYSA-N 427.715 4.486 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)OC[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2C)cc1 744231793 QPOBTAYQIIEIRC-OAQYLSRUSA-N 432.520 4.308 10 20 IICD C/C(=C\C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 745486413 ZIQASZLXOFCVPS-FOWTUZBSSA-N 434.458 4.377 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2cccc(Br)c2O)cc1OC 747439988 HUFVUZIRJCDORJ-IBGZPJMESA-N 447.329 4.120 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3CCCC4)n2)s1 748091524 AIXUZDWWFIKKKH-UHFFFAOYSA-N 447.607 4.187 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)c2C)c1 749348104 NQAPKKYTFWVSKZ-UHFFFAOYSA-N 430.508 4.362 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C/c3cnc(C4=S=CC=C4)s3)nc(O)c2c1C 751514544 ZGMIGCHRHRISQO-POHAHGRESA-N 449.966 4.311 10 20 IICD Cc1ccc([C@H](C)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c(O)c1 756593423 YZXYYEBVNUQUQM-AWEZNQCLSA-N 426.376 4.366 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2c(F)cccc2C1 757629909 SZUGJCZGZCHCGF-LDADJPATSA-N 446.594 4.454 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 758415806 LYCQEYFWPXKZJD-ZRRZQRFHSA-N 434.926 4.081 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(F)cnc2Cl)c(C)n1-c1ccc2c(c1)OCCO2 767754147 SOTLSITVUHTSHU-UHFFFAOYSA-N 444.846 4.093 10 20 IICD COc1cc(Br)cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1O 768423544 HOHZUAPQCLYLMZ-UHFFFAOYSA-N 445.357 4.220 10 20 IICD CC(C)C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1 769710812 PJOSGGJVWHFEEG-QGZVFWFLSA-N 431.562 4.185 10 20 IICD CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1Br 769722300 LQQRSQGKWVDGPT-UHFFFAOYSA-N 437.359 4.095 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccc(COc2cccc(Br)c2)o1 770625455 PEHGCQWUCWUAGV-UHFFFAOYSA-N 432.270 4.005 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772597428 FQNZFYHZPSRBLO-FDFHNCONSA-N 427.495 4.284 10 20 IICD CCCN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1nc(O)c2ccc(Cl)cc2n1 775643980 YXISTAKUGPMQGH-UHFFFAOYSA-N 439.991 4.153 10 20 IICD Cc1ccc([C@@H]2COCCN2Cc2cc(Br)cc(Br)c2O)o1 775700734 OAKZAZNLQNQDNT-AWEZNQCLSA-N 431.124 4.392 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 778938580 SNMWEMYSCHGRHB-UHFFFAOYSA-N 437.540 4.480 10 20 IICD CCC[C@@H]1C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 780588130 DUTKZACWSVNUOK-HMXCVIKNSA-N 433.593 4.030 10 20 IICD O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)OCC(=O)c1ccc(O)c(O)c1 782652215 LZOFEYMXPRASJX-UHFFFAOYSA-N 436.247 4.418 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784058039 JWZSQSDQDJBDBF-UHFFFAOYSA-N 436.556 4.055 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)nc2)sc(C)c1-c1ccccc1 785628546 DZDXBKFCPDTQNQ-UHFFFAOYSA-N 442.468 4.230 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SC[C@@H]1CCS(=O)(=O)C1 788492330 FOZIYWGKUWAETK-AWEZNQCLSA-N 443.432 4.495 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 789557809 NTMFPLUZFVCGPC-UHFFFAOYSA-N 445.567 4.205 10 20 IICD Cc1ccc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)cc1Br 797737260 VPMLEDLEDOTDQT-UHFFFAOYSA-N 427.682 4.235 10 20 IICD COc1cc(Br)cc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O 798082891 FQIQKLSQADGYCH-ZIAGYGMSSA-N 449.345 4.025 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Br 798399984 QOZOEMSFFYHYQY-UHFFFAOYSA-N 435.337 4.019 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)cc2F)C[C@H](C)O1 798400116 TUTWOZUYGYUTCZ-IRXDYDNUSA-N 438.547 4.201 10 20 IICD CC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 799908603 YPFUAJJZTAXZSA-SFHVURJKSA-N 449.039 4.413 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)cc2Cl)C1 799993918 LRVNWJZRTQPUBK-NZSAHSFTSA-N 435.012 4.023 10 20 IICD Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)C2 799995665 SCNACEYSSBNZKT-HNAYVOBHSA-N 427.980 4.031 10 20 IICD Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 805025379 RFAUOPZWLXVJAR-UHFFFAOYSA-N 447.501 4.183 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 813025964 GRDSMDJGPSLRBZ-HSZRJFAPSA-N 443.507 4.246 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cc3ccccc3n(C)c2=O)cc1 813838352 HOGYMVHQTQMLNN-UHFFFAOYSA-N 444.535 4.110 10 20 IICD COCCCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C 844261839 WENOXTRQXBBGFN-UHFFFAOYSA-N 446.598 4.125 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(OC(F)(F)F)c1 884317993 IYZZCYFUBBIWAC-UHFFFAOYSA-N 428.413 4.402 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(-c4ccco4)no3)c2C)cc1 900572896 OSMOMHGAFATLBM-UHFFFAOYSA-N 433.464 4.404 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc2c(c1)OCCO2 913092803 BFTAMLXAUJIPHI-UHFFFAOYSA-N 442.440 4.401 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Cl 915220076 BOQXUWARHGRENY-UHFFFAOYSA-N 437.930 4.231 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 916110636 YJICKEUBCXBGIS-UHFFFAOYSA-N 443.959 4.293 10 20 IICD CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)c1cccc(OC)c1 918220685 JOBHZSVQUMGPGM-QGZVFWFLSA-N 429.536 4.088 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 918741883 MMCHPTBUJMNAIW-SNVBAGLBSA-N 439.559 4.317 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(C)cc3OC[C@H]3CCCO3)CC2)cc1 919912534 MLPIMDGGUSOKJL-JOCHJYFZSA-N 439.556 4.306 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 920662351 NHMIHCJQIZMQJT-INIZCTEOSA-N 428.920 4.282 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4c(OC(F)(F)F)cccc4[nH]3)CC2)cc1 1115953482 JYPYDXPDFODGRM-UHFFFAOYSA-N 433.430 4.474 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 1116309932 ZCVCGOZNDIQJEA-XZOQPEGZSA-N 429.992 4.245 10 20 IICD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c(C)n1C 1845398791 DGPMBWBOKPKYDX-UHFFFAOYSA-N 444.579 4.180 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OCc1ccccc1 13343545 GSVRJQQVAJENBZ-UYRXBGFRSA-N 443.546 4.340 10 20 IICD C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(N2CCOCC2)cc1 726145811 NCJDBZHQCYBBNM-QGZVFWFLSA-N 446.507 4.129 10 20 IICD O=C(Nc1ccc2c(c1)OC(F)(F)O2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695489 VMDUVRGZKULHPO-UHFFFAOYSA-N 441.381 4.400 10 20 IICD Cc1cc(C(=O)NC2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c(C)o1 727436748 JFGKTACBKUVIBZ-UHFFFAOYSA-N 433.552 4.381 10 20 IICD Cc1cc(C(=O)COc2ccc(N(C)C(N)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 728287464 CLGYWRHKXKLJSO-UHFFFAOYSA-N 443.450 4.472 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCc4sccc4C3)ccc21 728637024 GSWWHJVKCOWMMO-QGZVFWFLSA-N 440.565 4.096 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc4nc(O)[nH]c4c3)c2C)c1 728984344 FMVSRGJMBSEEAS-INIZCTEOSA-N 432.480 4.168 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)o1 730932287 HCVWVZANTDGXIO-UHFFFAOYSA-N 432.401 4.009 10 20 IICD COc1cccc(C2(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCCC2)c1 731046432 IMJSFUULIRAOEX-FQEVSTJZSA-N 437.584 4.404 10 20 IICD Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)nc1 731048792 PXTGIHACZPZPNV-QFIPXVFZSA-N 449.599 4.187 10 20 IICD COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(C)n(-c3cccc(Br)c3)c1C)CC2 733789195 YNYQLYMWXGSHIX-IBGZPJMESA-N 445.357 4.272 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1Cl 735517266 BBDQITHGQPPJLV-ZBFHGGJFSA-N 449.382 4.256 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(N3CCOC3=O)ccc2F)cc1 741533687 IAIOUXJCMAGBLU-UHFFFAOYSA-N 437.471 4.284 10 20 IICD Cc1cc(CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 741595905 AUBBKQDUQCVTLV-NHCUHLMSSA-N 437.005 4.104 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Br)c(F)c1 742283125 GTTTVQXQZXCWAH-UHFFFAOYSA-N 427.339 4.057 10 20 IICD CCn1c(SCC(=O)NCc2c(O)ccc3c2CCCC3)nnc1-c1cccc(C)c1 743716321 HKSMNMZMZKGFOM-UHFFFAOYSA-N 436.581 4.266 10 20 IICD CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C 745747159 UIGZBYWUTSWXRV-DEOSSOPVSA-N 427.564 4.461 10 20 IICD COc1cccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1O 745800924 BVNFOYSHTABZDL-UHFFFAOYSA-N 442.519 4.312 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 746759046 CZOJQSGYVURUCG-UHFFFAOYSA-N 444.620 4.464 10 20 IICD Cc1cc(C(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1 747413773 HIVBFIWNWJMFJI-SFHVURJKSA-N 447.457 4.020 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 749254573 VIBWYNVKGWKAJB-QHCPKHFHSA-N 445.567 4.237 10 20 IICD C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(-c2ccccn2)nc2ccccn12 751307212 HDCORFBSYINIRJ-ZDUSSCGKSA-N 437.843 4.364 10 20 IICD CC(C)(NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 752963675 VVFUVBZEHBKJRZ-UHFFFAOYSA-N 448.470 4.400 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 753558758 UIXJSIRBUUJHNK-GOSISDBHSA-N 434.544 4.245 10 20 IICD C[C@H]1C[C@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c2c(O)ccc(F)c21 756606761 BCWCSZSSSVDBSN-YOEHRIQHSA-N 438.590 4.148 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759222503 SJKFVSFAEUBNIU-SFHVURJKSA-N 434.536 4.318 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)nc(O)n2CC(F)(F)F 765309812 YPRQLIKERQBCCE-UHFFFAOYSA-N 432.446 4.225 10 20 IICD O=C(NCc1cccc(Br)c1O)C1(c2ccc(Br)cc2)CC1 765766810 BYJNMUKICTZOAO-UHFFFAOYSA-N 425.120 4.265 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cccc(OCc4ccc(F)cc4)c3)cc2)C1 766459504 SEIXIFRNEUNSAQ-HSZRJFAPSA-N 447.554 4.396 10 20 IICD CN(C)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 769493241 YGMDYAQFIMZEOR-OAQYLSRUSA-N 434.506 4.408 10 20 IICD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 772764247 BREJPLWTRVSURT-XOJVXBCLSA-N 433.460 4.351 10 20 IICD CCC(=O)[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 773538609 OJTDIYRYHJVYJS-WIZMWCRPSA-N 436.624 4.090 10 20 IICD C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 773746025 SYUORNTXNHKHOF-XFQAVAEZSA-N 428.529 4.047 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 773764270 ZPYDQNNRPRFEGV-NSHDSACASA-N 437.279 4.333 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)c1 775370761 QNTKMGZLUHTAOJ-VOIUYBSRSA-N 444.959 4.202 10 20 IICD Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 776126283 AWCKDOJZOPAGBP-HNNXBMFYSA-N 447.377 4.213 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 777667194 NIVFZVYZMUNZQY-GFCCVEGCSA-N 440.930 4.273 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1nnnn1C1CCCC1 777822631 JGMLBCYRJJBQRB-QGZVFWFLSA-N 437.569 4.376 10 20 IICD Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1Cl 782429279 ZXZAWHGBGMINFW-UHFFFAOYSA-N 425.916 4.475 10 20 IICD O=C(Cc1cc2c(cc1Br)OCCO2)NCc1ccc(N2CCCCC2)cc1 784363404 BIZCGOWQJYFFAK-UHFFFAOYSA-N 445.357 4.070 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 792206914 QYDQYBNWZSFYKG-UHFFFAOYSA-N 447.583 4.357 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1ccc(Br)cc1 796166231 BWWFOBBAEWNFIW-UHFFFAOYSA-N 442.313 4.005 10 20 IICD Cc1cc(C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)c(C)n1-c1cccc(C(C)C)c1 798058374 JXLMFLJEUXXGRN-UHFFFAOYSA-N 447.539 4.077 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1(c2cncc(Br)c2)CC1 798464390 OJTLEAKMAHYGGF-UHFFFAOYSA-N 434.297 4.224 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 801548912 WPTLHTAMIFZCCO-CYBMUJFWSA-N 439.375 4.163 10 20 IICD CCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(C(F)(F)F)c1 804225852 UVFORINUIZEQSR-UHFFFAOYSA-N 428.794 4.432 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3c(F)cccc3F)cc2)CC1 805025297 NDVDUUWHGOEHRQ-QGZVFWFLSA-N 429.511 4.037 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 813684751 VXVTXYJXKKIFFI-BFUOFWGJSA-N 435.351 4.315 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccnc(-c3ncc[nH]3)c2)cc1 815548282 RZSQRVKLJSEBKI-UHFFFAOYSA-N 427.508 4.393 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1 818638109 BPXQRCPMGCLHHD-VGSWGCGISA-N 434.515 4.110 10 20 IICD CN1CCN(C(=O)C2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)CC1 915303446 BCOOVRGWVAREAF-UHFFFAOYSA-N 434.544 4.120 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 917489303 XSXUEEXEIOUISN-UHFFFAOYSA-N 427.957 4.407 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(Cl)s3)cc2F)C[C@H](C)O1 918216149 PPWBDKHJMAYDKG-KBPBESRZSA-N 425.957 4.196 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 918306106 RWUPZNHBWZOCRO-UHFFFAOYSA-N 433.508 4.151 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C2CC2)cc1 918456794 NODGGLJLDYPBFH-UHFFFAOYSA-N 437.487 4.494 10 20 IICD Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 919790641 ODVAKFGZXVXMCN-UHFFFAOYSA-N 432.568 4.402 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc(OC(C)(C)C)cc1 1319401448 ZECYEPBDERHOEU-UHFFFAOYSA-N 425.573 4.085 10 20 IICD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739894 FFGGNTWKQWXHGI-XZRIDHLOSA-N 434.964 4.031 10 20 IICD CCc1ncccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398308 YUOMMECKFUTOLB-UHFFFAOYSA-N 442.563 4.182 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)ccc21 303753568 MKMFABVBEQHXHA-UHFFFAOYSA-N 435.568 4.297 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OC4CCN(C)CC4)cc3)ccc21 551345946 HSRJZUQYAKFNGT-UHFFFAOYSA-N 449.595 4.308 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 725851908 ANOHGWODRDQILU-IBGZPJMESA-N 432.565 4.322 10 20 IICD CC(C)CCOc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 725868910 FTKIDRXDJQSBDS-UHFFFAOYSA-N 425.573 4.290 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 726855274 HDSHEUQFMLDJPS-UHFFFAOYSA-N 441.597 4.011 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 727168250 LIFGQUFXULLKRH-UHFFFAOYSA-N 446.547 4.312 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1csc(-c2ccccc2Cl)n1 727484136 WUEYERGGNAGRON-UHFFFAOYSA-N 445.947 4.494 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3cccc(N4CCOC4=O)c3)ccc21 728470376 KSWKCWJFHGIILJ-QGZVFWFLSA-N 435.524 4.352 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 729278627 RLCSXXKBTUAZOH-KPZWWZAWSA-N 437.323 4.190 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 729535092 JVTBTGCNGHSFLJ-CRICUBBOSA-N 434.536 4.115 10 20 IICD O=C(CCCCOc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 731186622 SVMINIQASWVENQ-UHFFFAOYSA-N 447.373 4.151 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3cnc(C)s3)c2C)cc1 732866496 HUMPGVCQVCXPCW-KTKRTIGZSA-N 438.505 4.085 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1C 732910946 JSCXWSDMLQCSSA-UHFFFAOYSA-N 440.550 4.422 10 20 IICD CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)n2)cc1 734975643 UMNLVBCDIMOBME-UHFFFAOYSA-N 441.578 4.194 10 20 IICD COc1ccc(N(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)Cc2ccco2)cc1F 739926881 VRYOGCZQOQIMBK-QHCPKHFHSA-N 442.462 4.173 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1F 740915024 KXEDTJYASIZKCY-QFBILLFUSA-N 436.572 4.117 10 20 IICD Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 742011232 MEDAXYRVWGNQBI-MRXNPFEDSA-N 442.471 4.348 10 20 IICD CC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 742615571 OHEIESRSGAJTMG-HKUYNNGSSA-N 447.526 4.115 10 20 IICD CCOC(=O)Cc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743180000 SRFPYZVITGNVIH-GOSISDBHSA-N 447.482 4.184 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 743229637 YZLMJODVSXSGAL-UHFFFAOYSA-N 439.556 4.071 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccc(F)cc2)c1C 743808935 HOOSZGCJWYUDGP-UHFFFAOYSA-N 432.293 4.450 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OCC(F)(F)F)nc1 743809128 LXUVRZZEDOENPE-UHFFFAOYSA-N 433.224 4.153 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 750628279 STERKBYQMKRJAQ-UHFFFAOYSA-N 437.496 4.320 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)cs2)cc1 751932186 XTYQFUNZVIYVAJ-UHFFFAOYSA-N 432.501 4.268 10 20 IICD COc1cc(C)c([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C 753627289 ZWFFPQXCIYMNIC-FQEVSTJZSA-N 449.574 4.419 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ncccc12 767934037 IPPOSFRUSYHYPW-UHFFFAOYSA-N 438.503 4.055 10 20 IICD CCN(C(=O)c1ccc(C)c(O)c1O)c1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 770493889 KDHIOTWVIWJHOR-UHFFFAOYSA-N 436.464 4.045 10 20 IICD O=C(Nc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1)c1ccccc1 771861918 OJNJJZLAAKVCCB-UHFFFAOYSA-N 435.867 4.267 10 20 IICD COc1ccc(C[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)c2ccccc2)cc1OC 775004556 PMBPIZFCAKDKFU-IBGZPJMESA-N 438.480 4.400 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 775370550 WAMIYPIFDVRVSI-QZTJIDSGSA-N 447.535 4.181 10 20 IICD Cn1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1-c1ccccc1 775485040 INUMIRDVNPTWJG-UHFFFAOYSA-N 426.467 4.087 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nnc(-c2cccc(Cl)c2)s1 775812227 DZGPYKUUBRKEHT-UHFFFAOYSA-N 429.933 4.017 10 20 IICD COc1ccc(N2CCC(N[C@@H](Cc3ccccc3)C(=O)NCc3ccccc3)CC2)cc1 777072423 WLZIWLJYGQBSHR-MHZLTWQESA-N 443.591 4.181 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(Cc2ccccc2)CCCC1 778790435 HGSYKWWCGVSVCU-UHFFFAOYSA-N 439.575 4.389 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3cccc4ccccc34)C(F)(F)F)nc12 781349704 WAQBZTASTDWJCY-IBGZPJMESA-N 444.413 4.158 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C1CCCCC1 781350854 MXHNGEVKCWGAJZ-LJQANCHMSA-N 430.980 4.450 10 20 IICD CCCc1c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1-c1ccccc1 783089860 UGOFQSCPDJDGTJ-UHFFFAOYSA-N 437.519 4.327 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 783315773 IXABHSJYZXXEFL-UHFFFAOYSA-N 432.524 4.316 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(F)cc2OCC(F)F)C2CCCCC2)cc1 784058948 DCMBOVISBJUZPN-UHFFFAOYSA-N 435.446 4.356 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc(OC)c1OC 785587030 WQFWNJJLQAJHNL-MRXNPFEDSA-N 439.512 4.051 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1Cl 789859373 CKEVJLLNKMVOQA-OAQYLSRUSA-N 446.016 4.023 10 20 IICD COC1(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)CCOCC1 790125190 AEQDCUYPYPTVIG-UHFFFAOYSA-N 429.517 4.491 10 20 IICD O=C1CCN1c1cccc(NCc2cc(Br)cc(Br)c2O)c1 790944496 ZSZAJBPUELJQKW-UHFFFAOYSA-N 426.108 4.266 10 20 IICD CNC(=O)COc1ccc(N[C@H](C)c2cc(Br)cc(Cl)c2O)c(C)c1 794840532 KIHHLGBIDWRXDE-LLVKDONJSA-N 427.726 4.414 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 802610069 SVHGHUMBTIEDBS-UHFFFAOYSA-N 434.540 4.271 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4cccc(C)c4s3)CC2)cc(OC)c1OC 808417228 ZVKRTXCMGIMWMS-UHFFFAOYSA-N 426.538 4.198 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 809145255 PGUNLNVDUJIWGS-ZHZULCJRSA-N 431.554 4.433 10 20 IICD Cc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812379918 ZRSPEPWRNDQHGA-TZIWHRDSSA-N 435.572 4.004 10 20 IICD C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 812437087 QRPJIJZPWXTSRI-HKUYNNGSSA-N 440.519 4.468 10 20 IICD CN(C)CCNC(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 864041469 OWUMBWBUHZAORA-UHFFFAOYSA-N 428.580 4.153 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(F)c1 914790463 PBDNZGHALBTPGI-UHFFFAOYSA-N 425.894 4.362 10 20 IICD Cc1nc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)sc1-c1ccccc1 916671912 SONOOFTVCCTCKP-UHFFFAOYSA-N 426.517 4.416 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1ccccc1OC1CCCC1 918221515 WCVRGMURAFXWMM-UHFFFAOYSA-N 441.547 4.108 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 918741881 MMCHPTBUJMNAIW-JTQLQIEISA-N 439.559 4.317 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 919654985 PZXAIPYPHGTVPW-DEOSSOPVSA-N 434.584 4.230 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2cc(Br)ccc2[nH]1 919969128 OUDPEHORVIUGJE-UHFFFAOYSA-N 442.357 4.069 10 20 IICD Cn1nc(-c2ccco2)cc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1343873142 WIEBJWMGZRVYFH-AWEZNQCLSA-N 431.443 4.072 10 20 IICD CN(C)C(=O)[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1 18191955 VMOKTJQUNCPEDF-HSZRJFAPSA-N 447.874 4.102 10 20 IICD Cc1ccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(O)c1O 109997611 QLIZKXOQHCEZAU-HNNXBMFYSA-N 442.518 4.064 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)CC2)cc1 725868517 WGNRMNWXGQDKIQ-PZJWPPBQSA-N 433.474 4.492 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3csc(-c4ccc(F)cc4)n3)SC2=S)cc1 726627605 OVAVESAADCHLPY-SXGWCWSVSA-N 441.534 4.454 10 20 IICD CCOCc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 726698649 YSOLUTYRLUWMAR-UHFFFAOYSA-N 437.462 4.400 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)CC2)cc1 726713656 PRMPEDZOZODLCC-DEOSSOPVSA-N 441.547 4.194 10 20 IICD C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)(C)c1ccccc1 728002753 HLLIHKUMNOJSBS-OAHLLOKOSA-N 442.471 4.466 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)ccc21 728516000 DIOQJKJLANAQAN-UHFFFAOYSA-N 429.561 4.034 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)ccc21 728758364 HCTIBPZTAJUBCY-UHFFFAOYSA-N 435.474 4.269 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](c1ccc(F)cc1)C1CCC1 729232016 BXPIZXPLHYEDJH-DEOSSOPVSA-N 425.548 4.375 10 20 IICD Cc1ccccc1-n1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2c1CCC2 731859590 XAGDQQPXJBTUEU-FQEVSTJZSA-N 431.536 4.196 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1 731885816 WVMFXYRQNZKHEG-NTKDMRAZSA-N 426.557 4.269 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 732474387 CQKBEOBETNZQKM-HNAYVOBHSA-N 435.565 4.235 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc1 732478641 HXZPVTXWJQFPSZ-UHFFFAOYSA-N 431.536 4.237 10 20 IICD COc1cccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC(F)F 733334505 LAEYOJPKGZFYJG-QGZVFWFLSA-N 426.891 4.410 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 735394133 JFFBWAFSULOHIK-KRWDZBQOSA-N 434.492 4.104 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NS(=O)(=O)Cc1ccon1 742280229 PGOMOAGDTBXDCI-SFHVURJKSA-N 439.459 4.290 10 20 IICD CSc1nc(C)c(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(O)n1 742416647 JMQRZPSGZSLZLI-UHFFFAOYSA-N 428.602 4.230 10 20 IICD O=C(CCc1cnn(-c2ccccc2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799244 VZKCXRUMVFJMHW-IBGZPJMESA-N 440.494 4.192 10 20 IICD Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1-c1cccc(Br)c1 743719889 YRKYRRSPOXKCAS-UHFFFAOYSA-N 440.341 4.458 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](c1ccccc1)N1CCOC1=O 743808253 QDNPFYIVAIYGHV-GOSISDBHSA-N 447.329 4.087 10 20 IICD CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743975815 VSDYFJRGYNOWAG-SFHVURJKSA-N 431.483 4.135 10 20 IICD CCC(CC)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)SC 744376186 WZVDWJSCLKQXTI-UHFFFAOYSA-N 426.494 4.022 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2ccncc2)cc1 746415640 RVVZXEMIXFCWFL-SFHVURJKSA-N 448.542 4.409 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 746747022 CTIHJECQYICQFM-CLOONOSVSA-N 428.548 4.077 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)ccc1F 749009832 KLUXBVYSZXHEQG-UHFFFAOYSA-N 442.440 4.123 10 20 IICD CN(Cc1ccccc1O)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 751238652 AWFMDZKUFVHTGS-UHFFFAOYSA-N 439.356 4.099 10 20 IICD Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)N(Cc1ccco1)Cc1ccccc1O 752088276 ZLZVXVNRCXYEGR-UHFFFAOYSA-N 444.491 4.013 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 753040004 DWSMVNHTXGTWQQ-NZQKXSOJSA-N 425.598 4.207 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 755128269 UYYMRSIVJHTDSH-FUHIMQAGSA-N 429.511 4.278 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2ccc3ccccc3c2O)N2CCOCC2)cc1OC 756361927 IKFULYXSRLFUIE-JPYJTQIMSA-N 436.552 4.287 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1cc(Br)ccc1O 756638589 UUBZWXUANSNSDZ-NSHDSACASA-N 427.726 4.496 10 20 IICD Cc1cc(C(=O)COC(=O)c2cncc(Cl)n2)c(C)n1-c1ccc(Br)cc1 758639188 SPPYJXISBHJLHQ-UHFFFAOYSA-N 448.704 4.340 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)ccc1[N+](=O)[O-] 759156799 DLPBOEVZYISTBV-UHFFFAOYSA-N 443.865 4.320 10 20 IICD CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1 760742927 MOEGMVOLJRDWBN-HNAYVOBHSA-N 430.980 4.485 10 20 IICD CCOc1ccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OCC 760929974 QOZDVWIRTBTQQK-CQSZACIVSA-N 432.904 4.368 10 20 IICD CC[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cc(Br)ccc1O 761500259 USTFRNRRONVZNV-AZUAARDMSA-N 447.373 4.304 10 20 IICD COc1ccc([C@@H](C)[C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765279490 GSSGDUWVEJOIRI-VQTJNVASSA-N 449.574 4.233 10 20 IICD C[C@@H](NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 765453741 SGUPXGPERGJVPW-KOSHJBKYSA-N 447.982 4.040 10 20 IICD COc1cc(O)c(CN(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1OC 768467151 ZZRWQRNQRZTEIV-SFHVURJKSA-N 438.490 4.296 10 20 IICD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cccc(Br)c2O)CC1 768812305 IJKJVMIIGSKIOP-OAHLLOKOSA-N 443.345 4.084 10 20 IICD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 772379832 XWPFLYNHCYEQEN-FQEVSTJZSA-N 427.552 4.031 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)c1 773858971 TXAGWXMLHJGSSZ-QGZVFWFLSA-N 433.508 4.369 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1 775481075 LVBSAGKEUMOLGH-UHFFFAOYSA-N 429.542 4.456 10 20 IICD CSc1nnc(CCCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1C1CCCC1 776131281 IPHMOYGKHHNREJ-INIZCTEOSA-N 430.622 4.174 10 20 IICD COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)cc1Cl 777473895 MKDNSFWRBYWROD-UHFFFAOYSA-N 431.699 4.333 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@H](F)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 778287883 FUUKNINBUMORRV-NHCUHLMSSA-N 429.536 4.015 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 782571090 UIYBTWMIGAPDMR-UHFFFAOYSA-N 425.876 4.419 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccnc1Br)c1ccc(N)cc1 783485539 IREMXYXWDUZISP-AWEZNQCLSA-N 439.313 4.159 10 20 IICD COc1ccc(Br)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784108733 KZOQIGOTTSFTPN-UHFFFAOYSA-N 446.345 4.202 10 20 IICD Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)no1 785965484 RKOKVNQWMHGLAO-UHFFFAOYSA-N 431.286 4.122 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)sc2C1 789758503 STTVHUILVUWFMY-OAHLLOKOSA-N 426.586 4.402 10 20 IICD CN(C)c1ccc(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)c(C(F)(F)F)c1 792851304 CNHSSIRPKGBPIG-UHFFFAOYSA-N 435.490 4.228 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1C[C@H]1c1cccc2ccccc12 797432872 WWPJEBOZMMLAIE-LADGPHEKSA-N 433.527 4.295 10 20 IICD CCCCN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccccc1O 801595927 VNKGOZOEIWILFH-HXUWFJFHSA-N 449.473 4.301 10 20 IICD O=C(COc1ccccc1C(=O)NCc1ccccc1O)Nc1cccc(C(F)(F)F)c1 802777989 VAMVPFYUZMHUCL-UHFFFAOYSA-N 444.409 4.359 10 20 IICD CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ccccn1 804700912 ADYSOYVYHZSJOL-LAUBAEHRSA-N 442.991 4.245 10 20 IICD CCc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1Cl 806680587 UPFVTQQIAOKKJU-UHFFFAOYSA-N 433.936 4.282 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1F 806892546 HZNFELXSQKCILD-UHFFFAOYSA-N 444.532 4.260 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(CN2CCCCC2)c1 857472010 DQKKPBAILYAHNA-HSZRJFAPSA-N 442.003 4.426 10 20 IICD Cc1cc(C(=O)O[C@H](C(=O)N2CCc3sccc3C2)C(C)C)c(C)n1-c1ccccn1 914903970 WNJGNAPWKGGAKB-QFIPXVFZSA-N 437.565 4.317 10 20 IICD Cc1cc(CCNC(=O)N[C@@H](c2ccccc2)c2nccn2C)c(C)n1-c1ccccc1 916220324 DFSXBZDWBWUWHE-DEOSSOPVSA-N 427.552 4.459 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccnc1OCC(F)(F)F 916398576 YZTHUQJDMVSLKU-UHFFFAOYSA-N 436.478 4.355 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1 916623070 AHHFLYYPTVWDRA-UHFFFAOYSA-N 425.548 4.316 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2F)C[C@H](C)O1 916669105 JOICPLZQOQJCBP-STQMWFEESA-N 436.871 4.323 10 20 IICD COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1OC(C)C 918138060 GKOXWNZVBOULJJ-IRXDYDNUSA-N 430.520 4.165 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCOc3ccccc3)cc2F)C[C@H](C)O1 918223279 ZCRSIFMQTWSTBQ-OALUTQOASA-N 429.536 4.050 10 20 IICD COc1cccc(CNc2nc3c(nc2NCc2cccc(OC)c2O)CCCC3)c1O 1330033802 BTZQXNYMGPOOHE-UHFFFAOYSA-N 436.512 4.008 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 17473568 RRPAACUBLOVYGQ-GHRIWEEISA-N 445.522 4.232 10 20 IICD O=C(CN[C@H](c1ccccc1)c1ccccn1)Nc1cccc2c1C(=O)c1ccccc1C2=O 25416787 JOQFFELKOYUHON-AREMUKBSSA-N 447.494 4.175 10 20 IICD C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N(C)Cc1ccccc1O 303381484 NXZJWFOQWLMFSN-NSHDSACASA-N 442.151 4.376 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303795905 VUYMOJCDTVFWGA-QGZVFWFLSA-N 434.502 4.409 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnn3Cc3ccc(OC)cc3)ccc21 590664175 PLSLENMKVXEYHM-UHFFFAOYSA-N 432.524 4.410 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)OC)o3)SC2=S)cn1 726197542 UKBICNKHFJVWFY-VCHYOVAHSA-N 439.518 4.355 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726694214 FXAFKWWVMRSKPT-UHFFFAOYSA-N 448.470 4.046 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)s1 727246366 URWLZWBGLPUFSB-UHFFFAOYSA-N 440.484 4.051 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)cc1F 742652902 FBVQJZXLICJCLG-KRWDZBQOSA-N 441.576 4.209 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccc(F)c2)NC(=O)OC(C)(C)C)cc1 742754546 PTCBHHHJZWFUNU-PBAKHKOTSA-N 427.520 4.287 10 20 IICD Cc1ccc(-n2ncc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2C)cc1 742798756 QICLOVYBONBICR-SFHVURJKSA-N 440.494 4.489 10 20 IICD Cc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c(C)n1-c1ccc(Br)cc1 743874416 TZDIQDUAPIFLGI-UHFFFAOYSA-N 437.301 4.289 10 20 IICD COc1ccc(C[C@H]2CCCN(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)C2)cc1 745796073 NKVSPNFZUCEKAF-OAQYLSRUSA-N 437.584 4.337 10 20 IICD CC[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 745803502 SBGHSHOMNYLUAC-OAQYLSRUSA-N 445.585 4.035 10 20 IICD CC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1c1ccccc1 746416131 UEGWKELASBCHEC-RBBKRZOGSA-N 425.548 4.388 10 20 IICD CC(C)CC(=O)N1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 749197549 DXEJLAUPITWILL-UHFFFAOYSA-N 440.588 4.095 10 20 IICD CCOC(=O)c1c(C)oc2ncnc(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c12 752632065 LEUMHHZCGMONCG-OKILXGFUSA-N 442.491 4.073 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2)cc1 753288604 JIYKODRKNIUSFO-IBGZPJMESA-N 425.426 4.406 10 20 IICD C[C@H]1CCc2c(sc3nc(CCC(=O)N(C)Cc4ccc(N(C)C)cc4)nc(O)c23)C1 756941349 LYDCOKVFWDXQJG-HNNXBMFYSA-N 438.597 4.179 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C/c2ccc(Cl)nc2)cc1 759025379 FTWHNEZEIZZCDE-GXDHUFHOSA-N 449.938 4.392 10 20 IICD Cc1cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(C)n1-c1ccccn1 760033458 CCPDYQONKSSHSG-HXUWFJFHSA-N 427.451 4.304 10 20 IICD COc1cc(Cl)cc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1O 761190641 FQPLRFFRKCDOJW-UHFFFAOYSA-N 428.838 4.031 10 20 IICD O=C1CCCC(=O)N1Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 761228554 LEIXOUIOMARZRM-UHFFFAOYSA-N 436.512 4.236 10 20 IICD C[C@H](c1noc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1)C(C)(C)C 762148041 HFASGUBGPDZPDH-GFCCVEGCSA-N 446.485 4.301 10 20 IICD CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 763574890 LHTZDTDOBOAYQL-MDZRGWNJSA-N 425.520 4.150 10 20 IICD CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2 764357030 QFYNESZKFOUXPC-JXFKEZNVSA-N 428.602 4.322 10 20 IICD O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 764624589 HUUMGQFPZMNACU-QGZVFWFLSA-N 447.413 4.282 10 20 IICD COc1ccc([C@@H]2CCCC[C@@H]2NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1F 765257438 YFPKRYVVQLXLGW-SFLYRZDNSA-N 439.575 4.352 10 20 IICD Cc1ccc(-c2nc(CC(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cs2)o1 768912978 UEMTVNZRWCIPEZ-KRWDZBQOSA-N 445.972 4.394 10 20 IICD CN1CCN(c2ccc(/C=C(\Cl)c3nc(=O)c4ccc(C(F)(F)F)cc4[nH]3)cc2)CC1 771518643 UNXAVTKDAJXMDZ-PDGQHHTCSA-N 448.876 4.431 10 20 IICD CCCc1c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C)c1 772940340 WHITYQHOWOQYTP-UHFFFAOYSA-N 447.583 4.186 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 773769432 UXZCNHUMUMOBCA-NSHDSACASA-N 437.279 4.333 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)c1ccc(N(C)C)cc1 773850224 XPSBNERENOXWFF-ZDUSSCGKSA-N 425.476 4.223 10 20 IICD CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)ccc1O 775500654 WDNFUDHPZYAIJX-PMACEKPBSA-N 431.374 4.429 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1-c1c(F)cccc1F 778527199 XSWBAOQFBOCKTE-UHFFFAOYSA-N 435.474 4.487 10 20 IICD CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl 780788312 VTLQVTMFYYCWDW-UHFFFAOYSA-N 425.131 4.282 10 20 IICD Cc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782425037 NRLDUQACGIGGPM-UHFFFAOYSA-N 425.916 4.475 10 20 IICD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058158 NAYQCSWWDJPHJV-UHFFFAOYSA-N 429.904 4.013 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1OC(F)F 787868690 JNZSBERVRMJESV-FQEVSTJZSA-N 445.510 4.113 10 20 IICD CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](c2cccc(F)c2)C1 800645669 KXVXXSSNFDQGLV-RQMBKDMJSA-N 442.487 4.071 10 20 IICD Cc1[nH]c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2c1C 803327505 GYUHONORBOEYBW-UHFFFAOYSA-N 432.568 4.050 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccc(OC(F)(F)F)c1 809369401 FRQBHAIWJLERSM-HNNXBMFYSA-N 449.473 4.020 10 20 IICD C[C@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(N2CCOCC2)cc1 810207888 PGTZCAMZZCCTKI-INIZCTEOSA-N 445.585 4.447 10 20 IICD COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811702964 IMGVHQFZVAHTPV-UHFFFAOYSA-N 448.310 4.028 10 20 IICD COc1ccc([C@H](Cc2ccccc2)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 811865428 BXEHGKULAIIGBV-SANMLTNESA-N 445.563 4.315 10 20 IICD O=S(=O)(CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccccc1 828604607 VKYLYVIIOJHBBC-IBGZPJMESA-N 428.579 4.295 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 916557321 JXSAKDRHOYXDKJ-UHFFFAOYSA-N 435.480 4.282 10 20 IICD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1 917850425 HMYZREWNIJQJEL-UHFFFAOYSA-N 449.985 4.251 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 919910219 GZKMQAZLSBIRAH-HXUWFJFHSA-N 445.947 4.056 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1F 1321151457 PEFPZLWKSYSSBV-UHFFFAOYSA-N 431.923 4.423 10 20 IICD Cc1cc(C(=O)N(CCC(N)=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1322413080 CUMKAENOPMUQRP-UHFFFAOYSA-N 440.341 4.379 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3c(C)nc(-c4ccco4)nc3SC)CC2)cc1 1324368072 DFPXZXAZEAUPMW-UHFFFAOYSA-N 438.553 4.128 10 20 IICD O=C(/C=C/c1cccs1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1788163954 AFPPDGMIOPYJEQ-CMDGGOBGSA-N 435.505 4.015 10 20 IICD Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 301113421 NWIWUWZHJKZQLJ-UHFFFAOYSA-N 437.475 4.073 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3noc(C)n3)c3ccccc3F)ccc21 303532092 GAKPRIPHJMXYAR-QFIPXVFZSA-N 436.487 4.254 10 20 IICD CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 490401392 PPTFPANBKQJIAM-XMMPIXPASA-N 448.611 4.426 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 726175808 KBJIGKAIVPIMRM-SFHVURJKSA-N 426.517 4.331 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3c[nH]c4cc(Cl)ccc34)CC2)cc1 726708551 CNFREDHNUKVSSZ-UHFFFAOYSA-N 426.948 4.341 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)CC2)cc1 726714239 WMCLYUCFXMHUFD-UHFFFAOYSA-N 425.548 4.467 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 732243373 OMKLGOMNXWXAJY-UXHICEINSA-N 440.588 4.292 10 20 IICD CCSc1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 733845960 JHSNWETWKGKJBB-UHFFFAOYSA-N 428.602 4.141 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 734407349 OSZABYLQLBMBFK-WOJBJXKFSA-N 437.584 4.159 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 734687374 XJCXTUMAQPSTRC-IBGZPJMESA-N 437.519 4.339 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 734687903 FIKHYCIRRZYCOD-UHFFFAOYSA-N 449.382 4.035 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1F 735368448 ACZBXUKUIMXQQO-UHFFFAOYSA-N 436.553 4.064 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)ccc2SCC(F)(F)F)c1 737183211 KEBWILXATWSKER-GFCCVEGCSA-N 442.459 4.180 10 20 IICD COC(=O)CCSCc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 741065461 BKPVGDZPVQKHMN-UHFFFAOYSA-N 425.554 4.181 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)C2CC2)cc1 742525019 VSVLGQJMKUGGSE-SFHVURJKSA-N 435.597 4.165 10 20 IICD COc1ccc(OC)c(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743015752 NHPPSQJIQIVQAD-AWEZNQCLSA-N 437.512 4.261 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 743046505 MGBDQIZFWHFBJT-UHFFFAOYSA-N 439.921 4.386 10 20 IICD O=C(Nc1ccccc1N1CCCC1=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743082111 MXAQQUSWNYWJLU-INIZCTEOSA-N 444.482 4.205 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cc(F)c(F)cc2I)cc1F 743228652 BICJNODYKMLGSH-UHFFFAOYSA-N 449.214 4.096 10 20 IICD COc1ccccc1C1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 743576695 AFSYYNKLBKZEKL-QGZVFWFLSA-N 445.510 4.296 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 746782465 FAWIEMDJFJGGSX-UHFFFAOYSA-N 440.594 4.459 10 20 IICD Cc1oc2c(CN3CCNC(=O)[C@H]3c3ccccc3)c(O)ccc2c(=O)c1-c1ccccc1 748796861 VWFMZQIMDGVGGI-XMMPIXPASA-N 440.499 4.147 10 20 IICD CC(C)[C@@H](CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C 749552690 QTTJXVFFFCRXQC-OAQYLSRUSA-N 432.609 4.368 10 20 IICD O=C(COc1ccc(Br)cc1F)Nc1c(-c2ccccn2)nc2ccccn12 751303166 VSHIOBSJAFVCSO-UHFFFAOYSA-N 441.260 4.315 10 20 IICD Cc1ccc([C@H](NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)C2CC2)cc1 751944082 AIBTVPOPRPJBLW-QHCPKHFHSA-N 435.549 4.049 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)C[C@H](O)c1cccs1 756060475 BFEUZGSYOHYADW-QHCPKHFHSA-N 437.609 4.008 10 20 IICD COc1cc(N2CCN(Cc3cc(C(F)(F)F)ccc3F)CC2)cc(OC)c1OC 761219452 QEKICSYHHAVTOR-UHFFFAOYSA-N 428.426 4.193 10 20 IICD COc1cc(OC)cc(OCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 764291130 XGMJHWCEHMEAEJ-UHFFFAOYSA-N 448.479 4.253 10 20 IICD CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 764353884 RVOCLEGJDVTAHI-UXHICEINSA-N 437.531 4.246 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 765117208 CJDXSSBCDTYOQM-QGZVFWFLSA-N 433.955 4.003 10 20 IICD C[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc(N(C)C)cc1 765288635 YXCCAAWGSXVBFW-SFHVURJKSA-N 441.572 4.221 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)cc1F 765469821 WINVLLJVOKYZJR-UHFFFAOYSA-N 438.425 4.220 10 20 IICD COc1ccccc1CSc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1O 770258786 XGCFWBUMIGZGOK-UHFFFAOYSA-N 436.533 4.290 10 20 IICD C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773229304 OHLLFUMYOBRRCA-IRXDYDNUSA-N 445.405 4.402 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1)c1ccc(N(C)C)cc1 773854098 APSRFFZQKXXMNV-KRWDZBQOSA-N 435.499 4.287 10 20 IICD C[C@@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 775259460 UHTYFDISLJYGAR-RLWLMLJZSA-N 432.564 4.281 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c1 777839051 YOSZJBUPKQUKLB-OAQYLSRUSA-N 445.563 4.499 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccccc1OCc1ccccc1Br 778926462 VHWJRUYCZMEXCT-UHFFFAOYSA-N 428.282 4.369 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 779331475 GMYZVTCCPPEBPI-LJQANCHMSA-N 443.538 4.405 10 20 IICD CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Cc1ccccc1 786710660 OHVVTXSKHCGXMY-OAQYLSRUSA-N 427.564 4.101 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1 788955912 XVFZGQBRQICIOM-QGZVFWFLSA-N 430.618 4.257 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 790416106 PZJAQINTRMGEFZ-QGZVFWFLSA-N 425.934 4.357 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 797639550 FUEWWCWJILBQDJ-SECBINFHSA-N 444.360 4.381 10 20 IICD COC(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C 798043210 LXXQHZMFIPHZFE-UHFFFAOYSA-N 439.512 4.179 10 20 IICD Cc1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 799187567 VBIOOBGZEKUOMB-UHFFFAOYSA-N 432.502 4.036 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nn(-c4ccc(Cl)cc4)cc3C)CC2)cc1F 799248140 QMNHVURHGDHWMW-UHFFFAOYSA-N 443.910 4.336 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Br)nn3C)cc2Cl)C1 800048824 IQXIAMMWVWWOSQ-GFCCVEGCSA-N 425.758 4.002 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 807005937 INDSZULCPALZIV-UHFFFAOYSA-N 443.700 4.325 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1cccc2ncccc12 807836335 UXZLYTJFNXMONN-UHFFFAOYSA-N 428.279 4.066 10 20 IICD Cc1sc2nc(CCC(=O)NCc3cc(Cl)cc(Cl)c3O)nc(O)c2c1C 807836897 TXGSYHRCMSKRBR-UHFFFAOYSA-N 426.325 4.275 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(F)cc(C(F)(F)F)cc1F 810167599 LJTSEHMALCULQK-UHFFFAOYSA-N 432.364 4.014 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 812064290 PRPAYNXZIPVKFA-GOTSBHOMSA-N 435.572 4.147 10 20 IICD C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 815609717 QHUBKLFOMSKHEX-YWZLYKJASA-N 443.548 4.160 10 20 IICD COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccc(Cl)c(Cl)c3O)cn2)CC1 815654903 CEUYJVYZZRVDSB-GFCCVEGCSA-N 425.316 4.156 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)Nc3ccccc3OC(F)(F)F)cc2F)C[C@@H](C)O1 849107146 NSLSLBMTLDNDPR-OKILXGFUSA-N 440.441 4.474 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(-n3cncn3)nc2)c(C)n1-c1ccc(C(C)C)cc1 863898927 VZVGRDFFONXACF-UHFFFAOYSA-N 443.507 4.233 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c(C)n1-c1ccccn1 919076947 OITKOLZAMAUJLA-HNNXBMFYSA-N 427.451 4.144 10 20 IICD CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1 919454176 KICWELIHIARRNH-GOSISDBHSA-N 442.581 4.191 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)ccc1F 1319467398 HJBQVAKHTBRHOK-UNOMPAQXSA-N 431.510 4.049 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)c1 1338915293 IAWWHCQDUUOUPU-KDOFPFPSSA-N 447.373 4.430 10 20 IICD CN(CCCC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1520703811 YSZGBGSTAMCVRT-INIZCTEOSA-N 441.519 4.020 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)CN)cc3)CCC2)cc1 1787961231 MAPNISNZGSZAOJ-SFHVURJKSA-N 444.579 4.437 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccccc1 15035047 CLMDWGGVKDICRI-GDNBJRDFSA-N 433.352 4.289 10 20 IICD COc1ccc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 108282690 PUYFJYSXECWCMD-HZPDHXFCSA-N 434.939 4.350 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CC(C)C)C(=O)Nc3nccs3)ccc21 566905224 GCYRAFZPTTVUBW-LJQANCHMSA-N 442.585 4.144 10 20 IICD O=C(NCCCNCc1ccc(N2CCCCC2)cc1)c1cccc(Br)c1 725851641 SZZHKRXQGXFUED-UHFFFAOYSA-N 430.390 4.349 10 20 IICD CC(C)(C)OC(=O)N1CCC(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 725852649 QNVDFMCGFPVVKW-UHFFFAOYSA-N 432.565 4.322 10 20 IICD C[C@@H]1Sc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2NC1=O 726566513 QSQKIYGGHIHEAC-ZDUSSCGKSA-N 447.507 4.120 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(C)c1 727242989 NTPYFYPPUHJJAX-UHFFFAOYSA-N 431.539 4.276 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cnn(-c2ccccc2)c1 727249487 XXGPCLOBOBHUDK-UHFFFAOYSA-N 448.476 4.398 10 20 IICD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)c1 731363720 LYCNFICMQSQGST-QGZVFWFLSA-N 428.552 4.200 10 20 IICD Cc1ncc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1 732865758 DGZUWTCXXRYNNN-ALCCZGGFSA-N 438.505 4.070 10 20 IICD Cc1cccnc1[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)C 734348085 MRHYOOZCIAURTB-FQEVSTJZSA-N 443.459 4.201 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 735467174 SHDKIASRBMRFHD-FQEVSTJZSA-N 431.920 4.065 10 20 IICD Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 735828401 SIVNWOVAAOWQCO-UHFFFAOYSA-N 449.620 4.495 10 20 IICD O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801364 PWUSAOZQHPSIEL-HNNXBMFYSA-N 448.495 4.117 10 20 IICD CCO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 743567631 RQSKEWYUMXYOTN-QGZVFWFLSA-N 429.565 4.278 10 20 IICD CC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c2C)c1 744843536 OSUNCIURCUTMKX-XDHOZWIPSA-N 442.562 4.363 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 745834480 KIXRUNREXRWNAG-NRFANRHFSA-N 428.964 4.132 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(=O)OC)c3)n2)cc1 745994831 QBCPPHMDJLKREN-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 747858908 SZVBUCLJBRKUAW-UHFFFAOYSA-N 429.317 4.283 10 20 IICD CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 750230553 NGSHYQZGPLKXKX-QZTJIDSGSA-N 438.505 4.164 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCC(=O)c2ccc(F)cc2F)cc1 750875412 UIVJTPGQWBOCGE-HXUWFJFHSA-N 430.495 4.202 10 20 IICD CC1(C)CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)CCS1 751416781 JPGVEXCGLPGZAT-UHFFFAOYSA-N 444.578 4.114 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1cc(Br)cc(Br)c1O 756769623 GVCRVEUTWZJQAF-YPMHNXCESA-N 441.167 4.242 10 20 IICD CCc1c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1CC(C)C 757906850 XWEUJWATWIAIRF-INIZCTEOSA-N 435.519 4.493 10 20 IICD COc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759221263 NMIDRPUAKIKHMH-GOTSBHOMSA-N 446.547 4.318 10 20 IICD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)c1 759591641 CTPJPNJSFRQHPV-SOFGYWHQSA-N 438.505 4.109 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2c(Cl)cccc2Cl)CC1 760157695 BLUGGGOGLSLLEK-UHFFFAOYSA-N 438.330 4.458 10 20 IICD COc1cccc2c1CC[C@@H]2NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 760167651 XCZAVYXXYDQWHE-FQEVSTJZSA-N 431.483 4.252 10 20 IICD COc1cc(Cl)cc(CNCCC(=O)Nc2cc(Br)ccc2C)c1O 761206745 ORMZTBLRYJDKEV-UHFFFAOYSA-N 427.726 4.244 10 20 IICD Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@H]2C)c(C)n1-c1ccc(Cl)c(Cl)c1 763857571 ZOWANQBEKXLYBH-CYBMUJFWSA-N 443.396 4.093 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 765284472 BTTICDWTBQHBSP-QZTJIDSGSA-N 433.593 4.478 10 20 IICD C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 765683640 JWJAGRIYGRDJQV-IAGOWNOFSA-N 431.374 4.342 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@H]1C[C@@H]1c1cccc(Br)c1 765756888 OAOUKMWMIGPDDG-KGLIPLIRSA-N 425.120 4.337 10 20 IICD CN(Cc1cccc(Br)c1O)C[C@H](O)COc1ccc(C(F)(F)F)cc1 768929633 JHZHHQADEQSESF-AWEZNQCLSA-N 434.252 4.045 10 20 IICD CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769859756 SYZOKGTZIZUWOV-LJQANCHMSA-N 442.562 4.404 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NCc2cc(Br)cc(OC)c2O)cc1 770587123 PBVLQVSRKIXNDP-UHFFFAOYSA-N 443.363 4.317 10 20 IICD C[C@@H](OC(=O)CCCC(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 771138355 YKAWAVDAWOIYBW-GFCCVEGCSA-N 433.382 4.065 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc2c(cc1Br)CCC2 772543184 FIFNQPCMRJLENC-UHFFFAOYSA-N 448.336 4.235 10 20 IICD C[C@@H](NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 773081429 RDRVYRJXUMGWGO-SJORKVTESA-N 440.481 4.183 10 20 IICD Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1C(=O)Nc1ccccc1 773855164 FJZXKZKDDGCPJM-SFHVURJKSA-N 444.535 4.129 10 20 IICD C[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 775253633 AEKVRASJIIFMPQ-HOTGVXAUSA-N 436.383 4.358 10 20 IICD CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCOC)c1ccc(Cl)c(Cl)c1O 775540544 LYEHRVWOEIETJI-ROUUACIJSA-N 425.356 4.114 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 780387176 KPJIVFVLBCYPJS-UHFFFAOYSA-N 429.545 4.165 10 20 IICD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 780589366 JAWXDUFAYHTJRX-DEOSSOPVSA-N 444.531 4.154 10 20 IICD CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 782249869 OZHGSJNEMZAFPS-SFHVURJKSA-N 436.531 4.292 10 20 IICD CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)sc2C1 789372634 WMRKUEHZDRGGEN-QGZVFWFLSA-N 440.613 4.149 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(C3(c4ccc(F)cc4)CCCCC3)no2)c1 789815870 BANUVLRIBQQILG-UHFFFAOYSA-N 431.489 4.203 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3C)CC2)cc1 807599945 VJUCGYYITMNDJW-SFHVURJKSA-N 427.545 4.004 10 20 IICD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807675689 ZWPDRQZMBULOLZ-AVRDEDQJSA-N 425.573 4.232 10 20 IICD COCC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCCC1 811970498 DLLLPZCKTDTYLX-UHFFFAOYSA-N 425.520 4.153 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccc(F)cc1 914084207 XYBUMXVPDTYJOO-GHRIWEEISA-N 434.583 4.228 10 20 IICD CC(C)c1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 914460335 KGHMSNOBEIAZHY-UHFFFAOYSA-N 436.531 4.244 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 914577287 MZJHGTODMHPDOL-UHFFFAOYSA-N 444.868 4.329 10 20 IICD Cc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 916968613 YFUFOARCWLSDPN-SKPFHBQLSA-N 439.575 4.201 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)Cc2ccco2)c(C)n1-c1cccc(Br)c1 918070066 YUFPPNOTAUOEML-MRXNPFEDSA-N 431.330 4.031 10 20 IICD CN(Cc1ccccc1O)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 918097045 BEJUICINEISCJQ-UHFFFAOYSA-N 433.346 4.045 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC[C@@H]1Cc2ccccc2O1 918952267 LEVRTHRHWRVHDU-IBGZPJMESA-N 431.448 4.084 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 919656711 HFWPJIRHPKITFB-QFIPXVFZSA-N 426.586 4.422 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCCN(C)c3ccccc3)cc2F)C[C@H](C)O1 919782575 ZMAXZJLYSALGCJ-PMACEKPBSA-N 442.579 4.155 10 20 IICD COc1cc(Br)cc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1O 1320497302 HJAFKYHXYOLWGJ-LJQANCHMSA-N 431.330 4.111 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 726565421 MOQHMSMVGWVLMA-UHFFFAOYSA-N 430.411 4.076 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)c1 726625395 HFVAJZDWZQZLNX-SVKBEJCWSA-N 443.546 4.442 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1 726696707 ZPPLJURHNFOVOP-UHFFFAOYSA-N 436.556 4.158 10 20 IICD CCOC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1Cl 726698009 VQLYKQICDMJBGO-UHFFFAOYSA-N 431.920 4.316 10 20 IICD CCN1C/C(=C/c2ccc(N3CCOCC3)c(F)c2)c2nc3ccccc3c(C(=O)O)c2C1 727263880 IKIPORUEQHUOFT-AQTBWJFISA-N 447.510 4.285 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2F)C[C@@H](C)O1 728597806 SVXISRBHCDYNKS-HHJKRLRDSA-N 448.542 4.423 10 20 IICD CC(=O)Nc1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 729055082 XBKXNYFVICSXQI-UHFFFAOYSA-N 434.540 4.259 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCCCCN2CCC(Cc3ccccc3)CC2)c1 731685702 CPFIUBDFUPVUFB-FQEVSTJZSA-N 439.600 4.496 10 20 IICD C[C@@H](NC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 733642164 DJHAUFUAPYFNBO-LJQANCHMSA-N 426.630 4.168 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1C[C@H]1Cc1ccccc1 741625951 BIDMSOGQPSZADQ-PIUNOOANSA-N 442.631 4.477 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1)C1CCCCC1 742416588 FDFRLVXRSKKFBB-UHFFFAOYSA-N 436.524 4.382 10 20 IICD Cc1cccc(O[C@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742751065 RCFXAGSEJNUZQL-XMSQKQJNSA-N 441.572 4.211 10 20 IICD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)N(Cc1ccco1)Cc1ccccc1O 743429311 JWPXWSJMALVZJG-UHFFFAOYSA-N 449.532 4.346 10 20 IICD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 743564914 QUYPKYFOGIZHPG-PBXXJUDPSA-N 437.584 4.360 10 20 IICD Cc1nnc(-c2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)o1 747564326 BJVOYELAVVYPEQ-UHFFFAOYSA-N 443.454 4.437 10 20 IICD N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(-c3ccccc3)ccc2O)N1)OCCCO4 749700504 LTMWSXIATXPKIC-QFIPXVFZSA-N 427.464 4.067 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)cc1I 750627852 UIJHXGSUOODZKI-UHFFFAOYSA-N 427.261 4.126 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nccn1CCc1ccccc1 751809607 IMJOHVCWNCJOMN-UHFFFAOYSA-N 431.584 4.458 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)CC2)cc1F 753737215 COSQAPKXYUZHBT-UHFFFAOYSA-N 442.535 4.025 10 20 IICD Cc1cc(C(=O)COC(=O)Cc2cc(F)cc3c2OCOC3)c(C)n1-c1cccc(F)c1 753877435 YEHHDUUQVYOPNU-UHFFFAOYSA-N 441.430 4.207 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1 755784956 JJHRBIAWWOQSNC-CYBMUJFWSA-N 430.302 4.148 10 20 IICD C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 759589945 VGYAKGULKRMDSC-AAKUMTKESA-N 433.460 4.260 10 20 IICD COc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1OC1CCCC1 761280483 WCWIRAVIPCJLKH-UHFFFAOYSA-N 444.915 4.340 10 20 IICD CN1CC[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 762622256 CSBPUGVHGRUXNO-WZONZLPQSA-N 435.946 4.237 10 20 IICD Cc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1F 762628668 MASRXWANGMEJRZ-UHFFFAOYSA-N 435.477 4.082 10 20 IICD CCS(=O)(=O)c1cccc(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 763981037 RHMDVFRGDKFQFQ-UHFFFAOYSA-N 428.598 4.108 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 764242093 VKGJRZHMXIQYOD-GOSISDBHSA-N 446.617 4.274 10 20 IICD C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 765329303 IOLLRAJAQAOMEW-IRXDYDNUSA-N 446.389 4.354 10 20 IICD CCN(Cc1cc(Br)ccc1O)Cc1ccccc1OCC(=O)N1CCCC1 769541405 VXSGRWSPPVJTOP-UHFFFAOYSA-N 447.373 4.178 10 20 IICD Cc1nc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 770258791 BBMRYQJXKBMATG-UHFFFAOYSA-N 449.555 4.120 10 20 IICD O=C(Cc1cccc(OCc2cccnc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 770827393 MURRHOTZMVCREN-DEOSSOPVSA-N 432.520 4.117 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2cc(Br)ccc2c1 773058487 HLXXXVRNYRYBFH-UHFFFAOYSA-N 425.326 4.369 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C 773845994 LPWOHVJLNTVLFG-SFHVURJKSA-N 432.524 4.373 10 20 IICD CC[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)ccc1O 775513683 SZVFJDDFLJBRCU-ICSRJNTNSA-N 431.374 4.429 10 20 IICD CSc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 776047209 CBPIMKNOTDGTHH-OAHLLOKOSA-N 449.523 4.042 10 20 IICD Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c(C)c(C)c1O 777651354 RVLCUNKDXVMSJS-HNNXBMFYSA-N 425.934 4.187 10 20 IICD CC(=O)N1CC[C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc2C1 779070668 CRVIJBMQYMWGBA-AUSIDOKSSA-N 429.511 4.340 10 20 IICD Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 781370285 DQVMINVUPYSWGX-VGOFRKELSA-N 425.577 4.251 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncoc1-c1cccc(C(F)(F)F)c1 783910763 LELUUYWCZRMEOS-UHFFFAOYSA-N 449.404 4.266 10 20 IICD Cc1cc(CC(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)no1 785962985 AZUMCCQGCINDHL-OAHLLOKOSA-N 432.423 4.349 10 20 IICD CN(C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 789726557 JSQAGAXPSHQSNL-UHFFFAOYSA-N 439.509 4.274 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C)c(C)n1-c1ccccc1 800746886 AWUWVNQFBZHNIU-HKBQPEDESA-N 433.581 4.263 10 20 IICD Cc1nc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cs1 803676342 FEAUPDFEJDIYAK-JOCHJYFZSA-N 440.613 4.200 10 20 IICD CC(C)(C)c1nc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2o1 807512566 YTWBZCBDSSWPJZ-UHFFFAOYSA-N 436.295 4.393 10 20 IICD COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(Br)c1OC 807837256 IYLRAGFMAQNXSW-UHFFFAOYSA-N 435.101 4.409 10 20 IICD Cc1cc2c(N3CCC[C@@H]3C(=O)NCc3cc(Cl)cc(Cl)c3O)ncnc2s1 807839874 SMCFPRNIAUNYFM-OAHLLOKOSA-N 437.352 4.297 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 808012034 INANALJKTNNIMU-UHFFFAOYSA-N 426.563 4.193 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1cc(Cl)cc(C)c1O)CC2 808705927 VLEDWJVACNOHCV-INIZCTEOSA-N 446.975 4.387 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)c(F)cc1N1CCCCC1 810309895 DDSGQPIVCYTWMR-UHFFFAOYSA-N 448.489 4.253 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 916662772 COBCVCKSFCNFKV-RQZCQDPDSA-N 449.937 4.306 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4cccc(F)c4)no3)cc2F)C[C@H](C)O1 917715933 ZRBXTLWBZHHTMG-GJZGRUSLSA-N 427.451 4.163 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 918081048 XFUPJNZQUZHDLB-QGZVFWFLSA-N 435.572 4.472 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1Br 918309792 HFUFEFZMGFOAPN-UHFFFAOYSA-N 430.346 4.037 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)CC1 920472454 MHZBHKYDWQNLQO-PDGQHHTCSA-N 429.523 4.150 10 20 IICD COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 920872805 IUJAUNCQGCLVCY-MRXNPFEDSA-N 433.936 4.085 10 20 IICD CCOC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(OC)c(Br)c1 1321504281 GNLBPIXEQODVQH-NRFANRHFSA-N 447.373 4.452 10 20 IICD O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1322109687 GIGXMINRBBUCAI-KRWDZBQOSA-N 442.466 4.056 10 20 IICD O=C(NCCSc1ncc(-c2ccccc2)n1CC(F)(F)F)OCC(F)(F)F 78769121 WGDKHDYRFBYGCQ-UHFFFAOYSA-N 427.370 4.493 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 108017078 FZYYENMFMNXZFD-UHFFFAOYSA-N 427.570 4.104 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 108091138 KJOVMJHKTFENTP-INIZCTEOSA-N 437.462 4.133 10 20 IICD Cc1cc(C)c(NC(=O)Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c(C)c1 445354993 YBHQODSNQAOMPU-UHFFFAOYSA-N 446.532 4.059 10 20 IICD CC(C)Oc1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1 726629362 MPSLQRRIGVFSEB-LDADJPATSA-N 433.576 4.283 10 20 IICD CC(=O)Nc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C 726699294 YTYFPSOTRYTSOK-UHFFFAOYSA-N 432.471 4.345 10 20 IICD O=C(NCc1ccc(OC(F)F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726702698 PBRASCVSXNEVAL-UHFFFAOYSA-N 441.425 4.358 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(Cl)c1 730965052 MGEKKXVVHFYQFI-UHFFFAOYSA-N 428.838 4.134 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)cc1F 731346269 UCNLKXMOQSOBOF-UHFFFAOYSA-N 428.483 4.418 10 20 IICD COC(=O)[C@@H]1CC12CCN(Cc1c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc13)CC2 733792288 ZYRCXVQPGRCATI-FQEVSTJZSA-N 433.504 4.249 10 20 IICD O=C(NCCCSc1nccs1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 734358866 RTEQTISJPRSJFZ-SFHVURJKSA-N 439.606 4.447 10 20 IICD Cc1cc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c(C)n1-c1ccc(C(C)C)cc1 735809463 ADLWOVHDZRHLNU-UHFFFAOYSA-N 437.565 4.068 10 20 IICD CCOc1cc(CCCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1OC 736405145 AOEZJEVZPBJBRR-UHFFFAOYSA-N 441.572 4.003 10 20 IICD CCc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nc(C)n1 741983160 MORFRRKPYCNVOS-RVDMUPIBSA-N 432.596 4.029 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc(-c4ccccc4)nc4ncnn34)C2)cc1 742423560 PRZSROPPGSOODR-QGZVFWFLSA-N 436.466 4.474 10 20 IICD Cc1nc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)sc1C 743783260 BCTGJLOXSMDSDS-NTEUORMPSA-N 437.637 4.119 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)CC2)cc1 746315226 LGWOFUYAUCPSFY-ISKFKSNPSA-N 441.547 4.101 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1F 747852603 HHLLVHYYMCHRDZ-UHFFFAOYSA-N 426.878 4.190 10 20 IICD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 748617924 MDJADZRIOCYYOJ-IECBHUPTSA-N 443.563 4.013 10 20 IICD Cc1nn(C)c(=O)c(-c2nc(CN(C)Cc3ccc(N4CCCCC4)cc3)cs2)c1C 750038095 UZLSDPHDFZWGSL-UHFFFAOYSA-N 437.613 4.143 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=O)NCc2ccc(N3CCCC3)cc2)ccn1 750611903 RXKWGALTCPKZRK-UHFFFAOYSA-N 445.523 4.155 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1cccc(Br)c1 753663339 HSJZZWYETPKZGL-QUCCMNQESA-N 445.357 4.067 10 20 IICD COC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756711463 KXURDEJFYSQQIT-NSHDSACASA-N 428.710 4.211 10 20 IICD C[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 758722244 MJLYQLTWSFBUDH-IBGZPJMESA-N 429.520 4.267 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)cc(OC)c1OC 760094518 FVRVGJUMULEILA-HSZRJFAPSA-N 439.556 4.004 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CNC(c3ccccc3C)c3ccccc3C)nc12 760893747 HUVABTAXRLNBEL-UHFFFAOYSA-N 430.508 4.108 10 20 IICD CCCc1c(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1cc(C)ccn1 760965191 HLJLAFRMHSQACM-UHFFFAOYSA-N 448.571 4.327 10 20 IICD COc1cc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OC(C)C 761031621 MLTVBKMGUMCLHU-AWEZNQCLSA-N 432.904 4.367 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cc1 761349561 KSTACFPYVACJQZ-UHFFFAOYSA-N 435.440 4.095 10 20 IICD Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1-c1ccccc1 762643147 YUZYQABXCGAFRK-HXUWFJFHSA-N 443.547 4.315 10 20 IICD C[C@@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(N2CCOCC2)c(F)c1 765148838 FKOJYWHYYQCGRH-QGZVFWFLSA-N 433.518 4.256 10 20 IICD COc1cc(Br)cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 766484814 JLKNWTBBORWIEL-QGZVFWFLSA-N 435.318 4.376 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc4c(c3)CCC(=O)N4C)SC2=S)c1 773897937 KMKZKWPZVDIDBZ-YBFXNURJSA-N 440.546 4.019 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775391329 AURGZLBWYAMETF-QNWVGRARSA-N 437.588 4.083 10 20 IICD C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 777014382 GRAQUBMSDSVABB-IWMITWMQSA-N 442.909 4.362 10 20 IICD C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 779498266 CPADRRTUHDYDKP-YBHKSSGVSA-N 434.467 4.309 10 20 IICD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)/C=C/c1ccc(O)c(O)c1 779518107 WPNWJRQUFMODMJ-ONNFQVAWSA-N 428.286 4.465 10 20 IICD Cc1ccc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2n1 782424046 WRBPNNVHVKHRDJ-UHFFFAOYSA-N 442.519 4.370 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)c1 782796983 VPTKBHJQCPIELT-INIZCTEOSA-N 443.519 4.126 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)cc2)CC1 786262244 KMIGUIVBVCMQLH-UHFFFAOYSA-N 429.520 4.077 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 788306535 IPVQBKZMUXWZSA-UHFFFAOYSA-N 425.920 4.026 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c(C)n1-c1ccccn1 790219964 FTAICZGLMGXYSR-UHFFFAOYSA-N 444.560 4.302 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H](O)c1ccccc1 792037832 DSKOUDKWZFPUQK-PMTLTCCBSA-N 443.563 4.141 10 20 IICD CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(O)cc3SC)cc2c1C 792702866 GJPQOLDPTBMKCC-UHFFFAOYSA-N 438.552 4.010 10 20 IICD COCc1nc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(-c2ccccc2)s1 799680675 SQTSNSGDLFZYAA-UHFFFAOYSA-N 441.528 4.067 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4ccccn4)C3)cc2Cl)C1 799960922 UAWTVSIOOFECSH-PKOBYXMFSA-N 427.980 4.049 10 20 IICD COc1ccc(C2=NO[C@@H](CNC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)C2)cc1 802358526 BUSLNLGZMFFYED-HSZRJFAPSA-N 436.556 4.020 10 20 IICD CS(=O)(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)c(C(F)(F)F)c1 804357623 GESZEBYWOBUPLH-UHFFFAOYSA-N 430.517 4.274 10 20 IICD COc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(Cl)c1 806646921 XROYKFKCVKMUCZ-UHFFFAOYSA-N 444.959 4.074 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 807079393 PQKSEAOIBRHWSX-OAHLLOKOSA-N 438.446 4.489 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](c1cncc(Br)c1)C1CC1 807252668 UBHLQNFTWFLGPF-FQEVSTJZSA-N 430.346 4.379 10 20 IICD C[C@H](NC(=O)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 807677697 RVDMFRGAYGZYEB-HNNXBMFYSA-N 435.490 4.043 10 20 IICD CS(=O)(=O)c1cccc(Br)c1NCc1cc(Cl)cc(Cl)c1O 808090281 XJCBYDIZHRRKQY-UHFFFAOYSA-N 425.131 4.477 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(Br)ncc1Cl 808498254 KFBSUIWQLHDYBQ-UHFFFAOYSA-N 428.677 4.460 10 20 IICD Cc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812379915 ZRSPEPWRNDQHGA-CTNGQTDRSA-N 435.572 4.004 10 20 IICD CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ccccc1O)c1ccc(Br)cc1 815834227 ZHZLWNRLHBBYJI-OAQYLSRUSA-N 449.345 4.211 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 916503302 NIVAOWOXTHGEMO-UHFFFAOYSA-N 426.538 4.030 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C)nc4cc(Br)ccc34)CC2)cc1 916724310 RPSHLNNZKXLIMF-UHFFFAOYSA-N 440.341 4.277 10 20 IICD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918545609 LLRJFVFNEQCNON-HXUWFJFHSA-N 425.529 4.052 10 20 IICD CC(C)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918848394 XXBNHEUZYUVLAN-HDICACEKSA-N 442.531 4.036 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1OC(F)F 919895862 WUOPAYJZUCEKRP-UHFFFAOYSA-N 431.483 4.081 10 20 IICD Cc1csc([C@@](O)(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C(F)(F)F)n1 920252082 IBENMLFCWKTYST-FQEVSTJZSA-N 441.519 4.240 10 20 IICD O=C(CCOc1cc(Cl)ccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 1330999140 XHSDAMAPELXHEA-UHFFFAOYSA-N 441.330 4.179 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3OC(F)F)sc2n1 14152265 RNQGNZHIRKRAOI-NSHDSACASA-N 435.452 4.281 10 20 IICD Cc1cc(C(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)c(C)n1-c1cccc(Cl)c1 195735619 XVELVWJJLPEGBT-UHFFFAOYSA-N 438.336 4.056 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4nc5ccccc5nc4N4CCOCC4)CC3)c2c1 427519275 NVVBDNDFCGIURH-UHFFFAOYSA-N 441.535 4.250 10 20 IICD CC(=O)N[C@@H](CC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(Br)cc1 473275293 QMPJSSCBZZAOKC-IBGZPJMESA-N 442.357 4.133 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)ccc21 486044533 KLSDSJGPCVDIIC-UHFFFAOYSA-N 425.504 4.133 10 20 IICD Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 725864371 OMWOHIPHQXABMS-SVFBPWRDSA-N 425.548 4.447 10 20 IICD CC(C)[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc(C2CC2)no1 727941934 MLXUHCSQDJAKJL-SFHVURJKSA-N 449.502 4.214 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)cc3Br)cc2)CC1 731038129 FTWAUOGDOBWJTF-UHFFFAOYSA-N 441.366 4.303 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1F 731362016 LFIVMRIWMPHOHE-HZPDHXFCSA-N 449.596 4.059 10 20 IICD Cc1cc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(F)cc1 732147764 WHWGXSUPGPGASD-UHFFFAOYSA-N 433.483 4.039 10 20 IICD CN(CCCNC(=S)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccccc1 732724659 RTBGMYXLGBIDIY-UHFFFAOYSA-N 433.643 4.213 10 20 IICD COc1ccc(O)c(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 734018360 OEGZNDBWEDVGNT-UHFFFAOYSA-N 425.485 4.238 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1ccccc1)C1CCOCC1 734540623 JFBWLBGXTYLOBS-QHCPKHFHSA-N 425.598 4.207 10 20 IICD O=C(Nc1ccccc1OCCn1ccnc1)N(Cc1ccco1)Cc1ccccc1O 740453572 JJMXDLMKSVECDC-UHFFFAOYSA-N 432.480 4.495 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccccc1 742797816 HEHHUYHRMAXEMW-KRWDZBQOSA-N 426.467 4.181 10 20 IICD Fc1cc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)ccc1N1CCOCC1 743495366 VGCRJKSHQDDSLB-FQEVSTJZSA-N 434.939 4.163 10 20 IICD O=C(NCCc1c(F)cccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743539868 GBAREYWYVDILKX-AWEZNQCLSA-N 425.426 4.077 10 20 IICD O=C(NC[C@@H]1CCN(c2ccccc2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743550572 CJRSFVACBRKZBS-RBUKOAKNSA-N 444.526 4.083 10 20 IICD C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 743555349 WIHGIYRPKIJWJP-OAQYLSRUSA-N 438.641 4.046 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCO[C@H]3c3ccc(C)cc3)CC2)cc1 743707705 KRROWDGFKUBDQE-DHLKQENFSA-N 437.584 4.393 10 20 IICD CCO[C@@H](C)c1noc(CN(C)CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)n1 744410790 CIQRSIDSBXXTQN-KRWDZBQOSA-N 428.508 4.337 10 20 IICD COc1ccc(C2(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)cc1 745812779 SSVUJPXTIHGKMA-QGZVFWFLSA-N 431.483 4.254 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccc(Cl)c21 746950855 IAZWMQPRZBETEX-KRWDZBQOSA-N 440.975 4.049 10 20 IICD Cc1cc(C(=O)CSc2ncc(CO)n2C)c(C)n1-c1cccc(Br)c1 750005109 KVQQCYPIWQAPFC-UHFFFAOYSA-N 434.359 4.057 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 750627789 JICSSVSOXWWCTH-UHFFFAOYSA-N 438.572 4.345 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(F)c(Br)c2)cc1 750873994 CYTXETGDHMCZJX-IBGZPJMESA-N 449.364 4.405 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)c(F)c2)cc1 750874306 IQIPVLMEHKZXJO-SFHVURJKSA-N 435.337 4.476 10 20 IICD O=C(CCSc1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O 752088547 LRGHUUIXCWNUKC-UHFFFAOYSA-N 425.506 4.468 10 20 IICD CCOC(=O)c1c(C)oc2ncnc(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c12 752632066 LEUMHHZCGMONCG-ZIAGYGMSSA-N 442.491 4.073 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCO1 752853050 VXWFFRDPKBSTLR-QFIPXVFZSA-N 434.588 4.469 10 20 IICD O=C(NCCCNc1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 753149592 JVDNIFHFCCYOOD-UHFFFAOYSA-N 436.478 4.197 10 20 IICD COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 753664757 QCVHGBFTWZDDFC-IAGOWNOFSA-N 434.483 4.159 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(COCCOC(C)C)c3)CC2)cc1F 753882949 CUNSDWWFUFWKBZ-UHFFFAOYSA-N 445.535 4.130 10 20 IICD COc1cc(N2CCN(Cc3cnc(-c4ccccc4)s3)CC2)cc(OC)c1OC 759876634 AXUPHAWSOOVHHG-UHFFFAOYSA-N 425.554 4.158 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)c(F)cc1I 761569389 QDQQCIXIPFSINW-UHFFFAOYSA-N 443.231 4.084 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 766393500 FZBNMCIPXSELAH-UHFFFAOYSA-N 426.561 4.223 10 20 IICD C[C@H](NC(=O)N1Cc2cccc(Br)c2C1)c1ccc(N2CCOCC2)cc1 770357606 FERYVKPVTAIYKP-HNNXBMFYSA-N 430.346 4.072 10 20 IICD CN(C)CCN1CCC(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 772692424 GHDDDUJDQCHAOY-UHFFFAOYSA-N 436.604 4.171 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 772708032 WZBIBMVTYDWTBL-OAQYLSRUSA-N 438.528 4.351 10 20 IICD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773619629 NCEAZNQBBPUSNI-RTBURBONSA-N 437.588 4.130 10 20 IICD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 775261626 WOCGFPXIGCEOET-DLBZAZTESA-N 435.524 4.150 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 775368602 BMAITHZGNRLARO-RDTXWAMCSA-N 425.510 4.084 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3C(=O)c3ccc(C)cc3)c2)CC1 781268472 JZGVJVSNHFTMSX-UHFFFAOYSA-N 441.531 4.147 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 784026204 SCJCAARHTNMZDO-UHFFFAOYSA-N 437.540 4.288 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1 784107690 ACGMQDXJEZPKGO-UHFFFAOYSA-N 437.931 4.270 10 20 IICD COc1ccc([C@@H](CO)N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 784820102 WZNCIWCTAQLJFB-JOCHJYFZSA-N 432.480 4.241 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc2)CC1 787871954 JIKBKEVZDRVVHW-FQEVSTJZSA-N 437.584 4.204 10 20 IICD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788909287 GRKCTJLXWFOQAU-OAHLLOKOSA-N 434.367 4.429 10 20 IICD CCN(CC)c1ccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1F 790602308 TZDONQCCIMJWBS-UHFFFAOYSA-N 432.483 4.384 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 799035790 LJNYAXUATVMGOI-SOFGYWHQSA-N 425.378 4.497 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(-c2cccnc2)cc1 808353639 BXBCSNRBULHSJL-IBGZPJMESA-N 442.563 4.183 10 20 IICD Cc1ncc(/C=C\C(=O)N2CCN(C(=O)/C=C\c3cnc(C)s3)c3ccccc32)s1 809238659 MTOMBSLYFWGUCW-XOHWUJONSA-N 436.562 4.323 10 20 IICD C[C@H]1CN(c2ccc(CNCc3cn4ccc(Br)cc4n3)cc2F)C[C@H](C)O1 810131642 NMDYGUGYXBCWGD-GJZGRUSLSA-N 447.352 4.139 10 20 IICD COC(=O)c1c(NC(=O)c2ncn(C)n2)sc(C)c1-c1ccc(Cl)cc1Cl 812895164 VWCIHXRTOINATF-UHFFFAOYSA-N 425.297 4.198 10 20 IICD CCOc1ccc(OCC)c(NC(=N)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 849070217 KSBXVEIAZIVNQV-IRXDYDNUSA-N 444.551 4.373 10 20 IICD CCCC(=O)NC1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 917110040 MXYLSLJNLYOMIN-UHFFFAOYSA-N 447.526 4.259 10 20 IICD CCOc1ccc(SCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917202529 LNNOHQBLLLVYHX-IAGOWNOFSA-N 432.561 4.247 10 20 IICD CCOC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1Cl 918053344 RSCCGAKZEVQBAE-QGZVFWFLSA-N 432.904 4.435 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C(C)C)cc1 918198299 HCPLKQZDXFDOCC-XMMPIXPASA-N 425.573 4.100 10 20 IICD O=C(NCc1cccc(Oc2ccccc2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918213542 OOZHHTNZHHIPCC-UHFFFAOYSA-N 435.499 4.454 10 20 IICD CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918217579 GOLGKBKDEYISOB-UHFFFAOYSA-N 425.426 4.023 10 20 IICD Cc1ccccc1C1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCOCC1 920026444 YUUKPHWUTMUBHL-WOJBJXKFSA-N 440.559 4.112 10 20 IICD O=[N+]([O-])c1cc(CNCc2cc(Br)c3c(c2)OCO3)ccc1N1CCCCC1 920415081 FHBCQJJEZADTHQ-UHFFFAOYSA-N 448.317 4.366 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 1318096273 SPOXEEKLAFWOMK-UHFFFAOYSA-N 448.485 4.289 10 20 IICD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)ccc1O 1845399118 SJIYZOWCZFJXAX-UHFFFAOYSA-N 443.547 4.239 10 20 IICD COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 10906890 OLUIZVHVMJRRFE-UHFFFAOYSA-N 446.547 4.383 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 26763676 MNLRCMYFAJOITB-WQRHYEAKSA-N 445.884 4.343 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 108804450 HDMUJDAFFYXYQK-UHFFFAOYSA-N 444.560 4.367 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1 109983881 KJRDMRDRYFPQRX-UHFFFAOYSA-N 444.579 4.352 10 20 IICD O=C1/C(=C/c2ccc(OCCN3CCCC3)cc2)SC(=S)N1CCc1ccccn1 726197183 NQIKOMFTEKXTGS-FXBPSFAMSA-N 439.606 4.000 10 20 IICD COc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC(C)C 726566202 KLRIEISXJLFEAD-UHFFFAOYSA-N 434.483 4.483 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-c2ccccc2)nc1O 726566974 JCRGKOWJKAJWPP-UHFFFAOYSA-N 439.462 4.454 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc21 728455502 SVBLULXXMFHTPN-UHFFFAOYSA-N 425.554 4.196 10 20 IICD Cc1nc(CN2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)oc1C 728559715 DPZFFFUJUABVRU-UHFFFAOYSA-N 430.346 4.231 10 20 IICD COC(=O)CCc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 729579108 XEQNBFARLZJHJT-UHFFFAOYSA-N 447.482 4.184 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 730607763 LHWKJNUXSDCRDK-UHFFFAOYSA-N 445.972 4.150 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1cc(C(C)(C)C)no1 731037001 WLEPBNNZDUQUMY-UHFFFAOYSA-N 442.560 4.388 10 20 IICD Cc1ncc(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2)o1 731131011 AKCJJGIVBVYUJX-UHFFFAOYSA-N 432.524 4.141 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(OC(F)F)c1 734097151 ZNMKSSFGXICBHK-NVNXTCNLSA-N 437.445 4.401 10 20 IICD COC(=O)Cc1csc(N(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 734102689 DEVPHFLMORHGSF-UHFFFAOYSA-N 431.945 4.125 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 740813205 XQCUYNRYHHTGII-UHFFFAOYSA-N 440.587 4.064 10 20 IICD CN(Cc1cc2ccccc2o1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 746562238 ZRECQYBIFVGQFU-UHFFFAOYSA-N 440.411 4.389 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc([N+](=O)[O-])cc1Br 751301730 FBMWILPVSGLIJE-UHFFFAOYSA-N 438.241 4.319 10 20 IICD COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756589212 KFBMIEJXYJXKPG-BTDLBPIBSA-N 430.726 4.210 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 761780607 UHXFKIUGKSGTLN-UHFFFAOYSA-N 434.515 4.486 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c1 761951052 VOCPHDWCSKHTGL-INIZCTEOSA-N 448.523 4.060 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccccc2Br)C1)c1ccc(N2CCOCC2)c(F)c1 765923190 CGUHCWUAFROLTB-AEFFLSMTSA-N 448.380 4.354 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(F)cc2Br)SC1=S 767718658 XETYJJVHLPLJTK-JYRVWZFOSA-N 432.336 4.434 10 20 IICD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 769753303 QQNJQHZKTQVLDF-UHFFFAOYSA-N 444.484 4.043 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(O)c1 770086183 CHBHUBVZDHTORT-GOSISDBHSA-N 442.512 4.266 10 20 IICD CN(c1ccc(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)C1CCCCC1 770418086 DQTISXMQLLXROW-UHFFFAOYSA-N 436.516 4.239 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 771067679 VGCNZDVZPBOTHF-QGZVFWFLSA-N 436.339 4.052 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 771134681 HVCOFLFPBCTQHU-XXBNENTESA-N 428.548 4.461 10 20 IICD COc1ccc([C@@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)cc1Br 772126280 SNMKQJSWUXTSFH-AWEZNQCLSA-N 445.100 4.144 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1-c1ccccc1 775207138 HFOSUBVMEONLMR-UHFFFAOYSA-N 431.539 4.357 10 20 IICD C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOCC2)cc1 775259671 XBWYCMWEZWWAGD-AWEZNQCLSA-N 441.881 4.485 10 20 IICD Cc1cc(Br)cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 776983205 KBCMFWPDYMVDCE-UHFFFAOYSA-N 436.325 4.179 10 20 IICD COc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 778681479 AEGQSZUCSVUSGC-MRXNPFEDSA-N 429.467 4.106 10 20 IICD Fc1cc(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)ccc1N1CCOCC1 779018704 BRONASFUJQXNCA-YADHBBJMSA-N 449.364 4.435 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2Cc2ccccc2Br)c1 779465248 CQHSFBOMCIGNGM-CYBMUJFWSA-N 445.317 4.291 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2nn3cc(-c4cccnc4)nc3s2)C1 782320388 WSYNHOZUURNDAK-QGZVFWFLSA-N 440.960 4.288 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(Cn2cccn2)c1)c1ccc(N)cc1 783482755 JYQIHXQINHPELR-LJQANCHMSA-N 439.519 4.247 10 20 IICD C[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc(C(F)(F)F)c1O 788821715 YREHANIPELAEAW-WHEQGISXSA-N 447.457 4.487 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 789836913 XCOFMSXVSVIIDM-CQSZACIVSA-N 427.888 4.478 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 797633738 SCNLXSVWHNUFJD-CQSZACIVSA-N 427.501 4.148 10 20 IICD CSc1ccccc1[C@H](C)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 799339594 RJPPDPQANWLTOB-KURKYZTESA-N 445.604 4.128 10 20 IICD COc1cc(Br)cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O 800893074 JHFAPXCUWQOAJD-INIZCTEOSA-N 443.382 4.289 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccc(-n2cccn2)c1 806636303 YIVHKSCEGJADRJ-IBGZPJMESA-N 446.551 4.117 10 20 IICD O=C(NCc1ccncc1OC[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 807615665 JWRQIFLDIYERGG-LJQANCHMSA-N 439.556 4.247 10 20 IICD O=[N+]([O-])c1cc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1N1CCCCC1 809790443 IJIQTMXCHRTJNR-XMMPIXPASA-N 427.520 4.151 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2sccc2C1 914447583 CSDLFDUULHBACL-LFIBNONCSA-N 434.633 4.376 10 20 IICD CN(C)c1ccc(CN(C(=O)/C=C\c2ccc(I)o2)C2CC2)cc1 914480972 MBPBIAIXVNNJDQ-BENRWUELSA-N 436.293 4.155 10 20 IICD Cc1ccc(Nc2ccccc2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918670831 ANCOUJQIOHHIDI-NRFANRHFSA-N 442.563 4.370 10 20 IICD Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(C)n1-c1cccc(Cl)c1 919978965 GPMREYZQIGNMFD-UHFFFAOYSA-N 437.927 4.472 10 20 IICD C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc(N2CCOCC2)cc1 920880360 HBWBMCNOFCDHHU-MRXNPFEDSA-N 429.358 4.195 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2F)CC1 1248745739 ATPHVXGTCFTFTG-UYRXBGFRSA-N 431.533 4.122 10 20 IICD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 1319938639 OIMOOHYZKYGCJG-QGZVFWFLSA-N 439.947 4.449 10 20 IICD Cc1cc(Br)cc(CNCCNC(=O)c2ccccc2C(F)(F)F)c1O 1337264315 RJAYTRSRCFEQIU-UHFFFAOYSA-N 431.252 4.002 10 20 IICD CC(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1844950650 NVGYSMJCGPXUMS-UHFFFAOYSA-N 428.916 4.005 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)c2C)cc1 115911600 IOBJYIZEVDRASU-IBGZPJMESA-N 441.572 4.480 10 20 IICD OC1CCN(c2ccc(CNc3nnc(Cc4ccc(Cl)cc4)s3)cc2F)CC1 302508922 NJKMCTJAJLNPCX-UHFFFAOYSA-N 432.952 4.495 10 20 IICD Cc1c(CNC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n(C)c2ccccc12 471612347 NEMHFBPMCBWTND-UHFFFAOYSA-N 445.489 4.369 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](CNC(=O)c4ccccc4)C3)ccc21 482215320 RKOOMDRRGLPCQJ-NRFANRHFSA-N 447.579 4.187 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 725726517 VBKGMCSRLJYXMG-UHFFFAOYSA-N 426.538 4.078 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(-c2ccccc2F)c1 726567872 UZFQBNFRLBAQFI-UHFFFAOYSA-N 430.430 4.012 10 20 IICD CC(C)(C)c1ccc(/C=C2\SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 726626774 LFBAQTDJFXWMOX-PDGQHHTCSA-N 446.619 4.033 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccn3)SC2=S)cc1 726627778 QTZCAHDQOKXOSX-MOSHPQCFSA-N 447.541 4.165 10 20 IICD CC(C)c1nc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 726688118 PMCYBCSJXIKTIU-CYBMUJFWSA-N 448.500 4.226 10 20 IICD CCOc1ccc(OCC)c(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 726901729 DBEQTROFFGIDND-KRWDZBQOSA-N 429.586 4.368 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)CC1 731016673 NKQSXKLZKLZCAS-UHFFFAOYSA-N 436.556 4.364 10 20 IICD CN(C)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1 732283247 SXMLODCTIADZQY-HXUWFJFHSA-N 437.918 4.329 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(Cl)c1 732918290 CIQRDLGXSKEXJW-QGZVFWFLSA-N 425.939 4.447 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 734405792 HIIADHXRHIQQHX-UHFFFAOYSA-N 443.473 4.468 10 20 IICD CC1CCN(c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)CC1 740492747 ZGCRJLXUYBERDR-UHFFFAOYSA-N 434.584 4.119 10 20 IICD Cc1ccccc1CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755928 ZNFUDYIAQARBKT-QFIPXVFZSA-N 425.573 4.376 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)Sc3ccccc3)cc2F)C[C@@H](C)O1 743555246 SZBBQLIFEWSEPZ-KZNAEPCWSA-N 431.577 4.419 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)CC2)cc1 745798889 CNECFGHZZXFKLY-LJQANCHMSA-N 442.991 4.286 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CCc2ccc(F)cc2)CC(C)C)c1 746065435 VOCVSQAFHVXGMY-UHFFFAOYSA-N 442.575 4.267 10 20 IICD Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)C 751082023 OCXARKLHKYDIRI-NZQKXSOJSA-N 436.600 4.283 10 20 IICD C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 751356262 RIHHRNJWPKGHRP-NVXWUHKLSA-N 440.455 4.388 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 752889319 HCAXBORDCLNSOD-RBUKOAKNSA-N 427.511 4.063 10 20 IICD COc1ccc(CN[C@H](C)c2cc(Br)cc(Br)c2O)cc1O 756525874 NZAACKJSRATMAO-SECBINFHSA-N 431.124 4.482 10 20 IICD C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)c(F)cc1O 756593673 LVILLCXMQQCVEC-XXFAHNHDSA-N 446.700 4.103 10 20 IICD C[C@@H](NCc1csc(N(C)C)n1)c1cc(Br)cc(Br)c1O 756638603 UYCQVZNVDDROHZ-MRVPVSSYSA-N 435.185 4.291 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(CCC(F)(F)F)no1 761598524 FTQPGDDWLUUREY-LUAWRHEFSA-N 433.502 4.460 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(CN4CCC(CO)CC4)cc3)cc2)CC1 765014038 FYMGAFYKAAJDOW-UHFFFAOYSA-N 435.612 4.057 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)CC2)cc1 770155397 USDXZDWHXWHDRS-UHFFFAOYSA-N 429.520 4.045 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)cc2)CC1 771842038 HZMVDWBALSQHSQ-UHFFFAOYSA-N 432.543 4.120 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1nc(C3CC3)cs1)c2[N+](=O)[O-] 774212145 ZWKDUUDWNXBNNC-UHFFFAOYSA-N 434.429 4.061 10 20 IICD Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccc(O)c3O)cc2Cl)n1 776639295 YEXLMLNHXQDKIS-CYBMUJFWSA-N 428.876 4.017 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc12 777976563 AKKRVZSVESLBRM-UHFFFAOYSA-N 437.565 4.267 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCC(NC(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 779018268 ABPASZJBXDPPCN-FWYSVENZSA-N 435.584 4.365 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc4ccccc4cc3OC(F)F)c2)CC1 781277525 CRNYIHUOTKGPRK-UHFFFAOYSA-N 439.462 4.362 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1 782672190 PQJXHRQAWSIABY-UHFFFAOYSA-N 445.489 4.430 10 20 IICD O=C(NCc1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 783353268 SYBYKOJWGUPZBV-UHFFFAOYSA-N 443.463 4.314 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cc(F)ccc2Br)C2CCCCC2)cc1 784059134 FVLDCYKHQUFFFN-UHFFFAOYSA-N 434.309 4.475 10 20 IICD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 788092341 WWZUUPANRMCBHA-CTNGQTDRSA-N 446.494 4.194 10 20 IICD COc1ccc2nc(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)sc2c1 788686710 AVHZZAQSLXCXOO-DHDCSXOGSA-N 428.516 4.409 10 20 IICD CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)C1=O 793355225 BKGMEWNDDBTDTA-LJQANCHMSA-N 437.500 4.032 10 20 IICD CN(C)c1ccc([C@@H](CNc2nccc(C(F)(F)F)n2)NC(=O)OC(C)(C)C)cc1 795227385 MMBOFZXMDVTCID-OAHLLOKOSA-N 425.455 4.239 10 20 IICD Brc1ccc(Cn2ccnc2NCc2ccc(N3CCOCC3)cc2)cc1 795806607 YFSWYBUPSHTDRM-UHFFFAOYSA-N 427.346 4.143 10 20 IICD COCc1nc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(-c2ccccc2)s1 799329695 KCAYVXROHISRKJ-UHFFFAOYSA-N 437.565 4.364 10 20 IICD COc1ccc2oc([C@H](C)NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(C)c2c1 804759068 RPQGYPJWTXSOOA-KRWDZBQOSA-N 449.551 4.184 10 20 IICD Cc1cc(O)nc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc12 808274659 UPASSBVJZDOFBQ-UHFFFAOYSA-N 445.441 4.034 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C2CC2)cc1 813803782 OWKRNCFQYDUNSH-OAQYLSRUSA-N 442.604 4.216 10 20 IICD CN1CCN(C(=O)c2ccc(CN[C@H](CCc3ccccc3)c3ccccc3O)cc2)CC1 815560009 WECCKIANHFUIBP-AREMUKBSSA-N 443.591 4.244 10 20 IICD CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 915113673 SKAFYIXNMIJBIP-UHFFFAOYSA-N 445.357 4.288 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 918309172 GRCWQKNNPAVYOL-UHFFFAOYSA-N 436.600 4.366 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)CC2)cc1 1117669369 INLVBFSRCAEXBD-UHFFFAOYSA-N 445.585 4.481 10 20 IICD COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 22155704 GMNIXRDTNPPDSF-UHFFFAOYSA-N 435.476 4.338 10 20 IICD COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 29384686 NKVPEAVVXLZBMQ-UHFFFAOYSA-N 433.464 4.291 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(C)c1OCc1cccnc1 117528630 YZSZTDJTSKHMJO-UHFFFAOYSA-N 449.526 4.183 10 20 IICD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 303892897 SAYAJSPNDKSAEI-UHFFFAOYSA-N 429.586 4.396 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 435619273 TXOVOWAWAKKADI-UHFFFAOYSA-N 444.579 4.283 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 437019452 BCQDKIMDXLEOKO-UHFFFAOYSA-N 426.904 4.204 10 20 IICD CCOc1ccc(CN(C(=O)c2ccoc2CC(N)=O)c2ccc(OC)c(Cl)c2)cc1 511939874 QLZNVVGQBJYRCI-UHFFFAOYSA-N 442.899 4.215 10 20 IICD CN(C)c1ccc(CNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cc1 725860971 YLDBERURJMEHFG-UHFFFAOYSA-N 446.389 4.063 10 20 IICD C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOCC2)cc1 726244656 DZPNWRMXZZPXGO-RBUKOAKNSA-N 442.991 4.063 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4ccc(Br)cc4[nH]3)CC2)cc1 726562159 CYNZEBZVSPWNPO-UHFFFAOYSA-N 428.330 4.338 10 20 IICD O=C1CCc2cc(F)c(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2N1 726696396 PHARDONQJFRDND-UHFFFAOYSA-N 448.445 4.102 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)CC1 731131505 LPHQETZGPKTSQN-UHFFFAOYSA-N 435.446 4.076 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C4CCS(=O)(=O)CC4)n3)c2C)cc1 732932701 ONXZJRCWQYWBKF-UHFFFAOYSA-N 443.594 4.289 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)C1 733334358 HXOFSKRKYRCFAF-GMAHTHKFSA-N 430.976 4.358 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 734672779 XRCFSJWOLLKRHM-GOSISDBHSA-N 431.540 4.269 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 741742918 HDXRHJGRJYMWOC-UHFFFAOYSA-N 440.931 4.116 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)N[C@@H]3CCOc4ccccc43)C2)cc1 743015588 KLQWICWPUDMEFK-DNVCBOLYSA-N 433.524 4.245 10 20 IICD COc1ccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c(OC)c1OC 743283872 HCECRLGZAATYAM-PWDRBQJJSA-N 443.546 4.437 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 743329974 UHPUWUKRHYVECO-HXUWFJFHSA-N 441.597 4.083 10 20 IICD O=C(NCCc1c(F)cccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743539869 GBAREYWYVDILKX-CQSZACIVSA-N 425.426 4.077 10 20 IICD C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 743564974 RMAJPCVAFRMBFL-ICSRJNTNSA-N 442.991 4.206 10 20 IICD COc1ccc(Cl)cc1NCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 743861948 XEIOUASRELGDTK-HZPDHXFCSA-N 449.954 4.220 10 20 IICD CC[C@H]1CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CC[C@H]1c1ccccc1 746382445 NIXOWTLHHZVWSE-HFZDXXHNSA-N 436.596 4.443 10 20 IICD CCOC[C@H]1CCN(CC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)C1 747966520 JFYNZZNBCNYMDI-KRWDZBQOSA-N 430.570 4.197 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 749730075 ICTIGEGEKZCBKI-UHFFFAOYSA-N 441.578 4.268 10 20 IICD Cc1cc(CC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 751339441 QSHZXIIHPYCMDT-QHCPKHFHSA-N 430.976 4.477 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1c1ncc[nH]1 751412525 XSHAUMRCFDVZKQ-WSTOHFRZSA-N 446.623 4.206 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 751555982 UUXAKWYVFOLOOO-UHFFFAOYSA-N 434.334 4.219 10 20 IICD Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1 752524650 HOCYJWRQFFPHSL-UHFFFAOYSA-N 444.563 4.103 10 20 IICD O=C(NCC1([C@H](O)c2ccccc2)CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680479 HCKNPCWRCHPZSX-GHTZIAJQSA-N 445.510 4.070 10 20 IICD Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 759371463 XQUDLRMRSVMTGK-UHFFFAOYSA-N 426.532 4.276 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(c2ccc(F)cc2F)CCCC1 760817895 CNVLQJQOJOLVDG-UHFFFAOYSA-N 447.501 4.334 10 20 IICD Cc1coc(-c2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2C)n1 764234235 UFLIAPMQWSZCSK-UHFFFAOYSA-N 434.540 4.489 10 20 IICD CCOc1ccc(C2(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CCOCC2)cc1 765309698 VOBYKMKVYZQHEH-HXUWFJFHSA-N 442.575 4.460 10 20 IICD CS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cs1 767054337 BLOMNOMFGFGBFU-UHFFFAOYSA-N 443.506 4.363 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C)c2Br)cc1 769258325 CLGFMVYKCMXDAY-UHFFFAOYSA-N 432.362 4.201 10 20 IICD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2c1CCCC2 769562863 RYDKOJNKHYXEPT-JOCHJYFZSA-N 440.540 4.162 10 20 IICD C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 769737382 BCELMNVMGDTZOO-HNNXBMFYSA-N 430.551 4.229 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4F)C3=O)cc2)CC1 771514910 WGNGRBGKYFBVFQ-UNOMPAQXSA-N 431.533 4.122 10 20 IICD CCC(=O)N1CC[C@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)C1 773002662 RDDVWELHEMQYEP-KRWDZBQOSA-N 428.554 4.486 10 20 IICD Cc1nc(NCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2cc(-c3ccccc3)sc2n1 773744349 ABCLVWXACTWDMH-AWEZNQCLSA-N 448.548 4.237 10 20 IICD CCOC(=O)[C@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 775083503 JAJATNDYWIIPAQ-OAHLLOKOSA-N 443.135 4.311 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2nc(O)oc2c1 776743201 DICIZAMVEZDTMY-UHFFFAOYSA-N 439.474 4.317 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 779507371 ALUADZWBCDHUNS-GXDHUFHOSA-N 428.488 4.272 10 20 IICD COc1cccc(N2C(=O)/C(=C\c3cnn(Cc4ccc(F)cc4)c3)SC2=S)c1 780143168 MIZZVEXBARRERA-DJKKODMXSA-N 425.510 4.485 10 20 IICD CC(C)[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Cc1ccccc1 786710659 OHVVTXSKHCGXMY-NRFANRHFSA-N 427.564 4.101 10 20 IICD C[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(Br)cc1O 786982727 RPWPDRDKCYQKGL-KPZWWZAWSA-N 439.300 4.275 10 20 IICD O=C(NCCCSc1nccs1)N1CCC(COc2ccc(Cl)nc2)CC1 789092236 WFHLTZWDTAKRRM-UHFFFAOYSA-N 426.995 4.174 10 20 IICD CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 795110874 FISJJSSUNRYYFB-KRWDZBQOSA-N 437.945 4.008 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1 796646224 DKMKIWYPQLIXGL-UHFFFAOYSA-N 448.470 4.150 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 798989392 NGWYVBUITXORFQ-ZWKOTPCHSA-N 441.524 4.484 10 20 IICD CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccccc4Cl)n3)ccc2NC1=O 799186665 GCLHHXDBVHWJAM-UHFFFAOYSA-N 434.930 4.242 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4c3ccn4C)cc2Cl)C1 800636281 INGBLEDCCINJPP-INIZCTEOSA-N 438.959 4.323 10 20 IICD CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nc(C)cs1 804886079 KGJWJUNUOGZVDW-RDTXWAMCSA-N 449.020 4.225 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCCCn1cc(Br)cn1 807612803 SZPBAGWCHUCDNN-UHFFFAOYSA-N 430.144 4.237 10 20 IICD O=C(CN1CCOCC1)Nc1ccc(N[C@H](CCc2ccccc2)c2ccccc2O)cc1 815610162 CXVDMDXAOZYBAP-RUZDIDTESA-N 445.563 4.449 10 20 IICD COC(=O)c1ccc(OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 914046507 NAJZRPYWZDDCCV-FOWTUZBSSA-N 447.559 4.122 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@H]1c1ccncc1 914605515 BMCZKYRQXIYZCR-SKQHNDAPSA-N 443.619 4.488 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC(F)F)c(Cl)c1 916668821 OYRDAYUYCQSHGA-UHFFFAOYSA-N 439.890 4.472 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 917513769 XUPOAPJTCJTNOT-INIZCTEOSA-N 434.525 4.199 10 20 IICD CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1 1322000976 NLJQUSVKUSQSPA-UHFFFAOYSA-N 447.944 4.182 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C24CC(F)(C2)C4)C3)cc1 1800512459 WVGXDBDPZJLVKC-ANOCDLICSA-N 435.543 4.238 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2[C@H]4SC=C[C@H]42)C3)cc1 1800514015 CVVMEUBVPGYRKU-OCAXILEQSA-N 447.604 4.221 10 20 IICD Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 97569864 TZFGYWIIKNNJSL-HNNXBMFYSA-N 445.972 4.228 10 20 IICD COc1ccc(-c2nc(CN3CCN(Cc4cc(C)cc(OC)c4O)CC3)cs2)cc1 218155051 WAEYILKGXMEPLR-UHFFFAOYSA-N 439.581 4.159 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1Cl 472785003 HGZOSDDRUKFZTM-UHFFFAOYSA-N 434.323 4.447 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2scnc2c1 726077013 KZHRSHMQCJDRKD-UHFFFAOYSA-N 436.459 4.473 10 20 IICD COc1ccc(N2CCC(Nc3ccc(F)cc3S(=O)(=O)C(F)(F)F)CC2)cc1 726594012 DKDKPHZIVYDLRX-UHFFFAOYSA-N 432.439 4.209 10 20 IICD CC(C)(C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)n1cc([N+](=O)[O-])cn1 726663648 HWWDYIDEZZGTHR-UHFFFAOYSA-N 436.428 4.124 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)ccc1OC(F)F 727176770 OQHQJJKTXKOZIK-YBEGLDIGSA-N 444.569 4.476 10 20 IICD COCc1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F 730826285 MUMJBJNCVWZNJK-UHFFFAOYSA-N 437.462 4.042 10 20 IICD COc1ccccc1NC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731037217 XLGLMAKIHKSMMY-QGZVFWFLSA-N 439.556 4.500 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)cc1 731183838 VWXNHVSRJFKCMO-SVBPBHIXSA-N 443.591 4.280 10 20 IICD CC(C)(C)c1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n(C(C)(C)C)n1 732432336 YCEIZZXYWIYFDA-UHFFFAOYSA-N 441.620 4.466 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccnc(-n3cccn3)c2)cc1 739727843 NIWLBVPNDKLNOU-UHFFFAOYSA-N 427.508 4.189 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCC(C)CC4)c3)cc2)CC1 740495468 OOEBQWKOBSUMAI-UHFFFAOYSA-N 448.611 4.414 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1I 742475263 BELXFELRTHVOBG-UHFFFAOYSA-N 438.284 4.351 10 20 IICD Cc1sc(=O)n(CC(=O)NCc2ccc(N3CCCCC3)cc2)c1-c1ccc(F)cc1 742475443 NXAVQENEPSOJBC-UHFFFAOYSA-N 439.556 4.331 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2Cl)NC(=O)OC(C)(C)C)cc1 742750552 DWXVPESKZVVNJE-HXUWFJFHSA-N 431.964 4.331 10 20 IICD COc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1O[C@@H](C)C2 742804709 ARNBRHSLTLZMIM-YOEHRIQHSA-N 432.467 4.019 10 20 IICD O=C(Cc1coc(-c2cccs2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805421 KDGIKCOVPPFVAZ-CQSZACIVSA-N 433.480 4.332 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 742952761 QQSIOPCHPUCLKG-HSZRJFAPSA-N 428.488 4.246 10 20 IICD Cc1ccccc1O[C@@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 743555270 UQAIWPCTEPVBLA-GBESFXJTSA-N 429.536 4.014 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(OCC4CCCCC4)CC3)CC2)cc1 745798773 BFGSOBZIFVRNRP-UHFFFAOYSA-N 429.605 4.435 10 20 IICD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCc1ccc(N2CCCCC2)cc1 751385365 LJVVDONCDHALAU-UHFFFAOYSA-N 435.549 4.388 10 20 IICD CC[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)CCO1 752846027 RAYNBTGVYGNPCP-UNMCSNQZSA-N 435.572 4.004 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](Cc3ccccc3)c3sccc3C)nc12 754360267 CQGYJVBRUKCELW-IBGZPJMESA-N 436.537 4.055 10 20 IICD COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 760016134 KTZKLQNCEWLHTR-SFHVURJKSA-N 434.577 4.087 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc2cc(Br)ccc2s1 773741241 UKAFPWDBYJIJDD-NSHDSACASA-N 435.343 4.150 10 20 IICD COCCCN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 774015128 IIIMVYYQNAGQMQ-HXUWFJFHSA-N 430.530 4.160 10 20 IICD C[C@@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccc(N2CCOCC2)cc1 775254595 LFFJKMJFPFEDDP-OAHLLOKOSA-N 443.345 4.187 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)c1 775370760 QNTKMGZLUHTAOJ-UPCLLVRISA-N 444.959 4.202 10 20 IICD CSc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] 776851883 NGNYPHXPUVFHBK-CYBMUJFWSA-N 437.468 4.317 10 20 IICD OCC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)cc2)CC1 781421337 PVSFKQNFEUYPTP-FPNNDXFKSA-N 433.640 4.286 10 20 IICD Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1 782564418 DXUBAAGBRMCGHG-UHFFFAOYSA-N 433.869 4.135 10 20 IICD COc1c(F)cc(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483385 VIUMPTMYDQADRY-AWEZNQCLSA-N 425.435 4.289 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccc(OC(F)F)c1 787852484 BHTZUGYDGVILAU-QGZVFWFLSA-N 445.510 4.114 10 20 IICD COc1ccc(CN(CCc2ccccn2)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 792951113 DXOHJUXEVIUNAF-UHFFFAOYSA-N 436.531 4.250 10 20 IICD COc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1Cl 793519824 DDNVGBUAWCHXEV-CYBMUJFWSA-N 429.870 4.450 10 20 IICD O=S1(=O)CCCN1c1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796356607 NESAODPYOUDOSB-UHFFFAOYSA-N 447.604 4.079 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(CC(F)F)CC3)cc2Cl)C1 799916199 KILOALRXJAIBES-OAHLLOKOSA-N 428.955 4.105 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 801983652 SWVZCFRLEMRUIX-IBGZPJMESA-N 435.572 4.147 10 20 IICD CC[C@H](NCCc1ccc(S(=O)(=O)N(CC)CC)s1)c1cccc(Cl)c1O 806138147 RTTLTKSVUJXKMR-KRWDZBQOSA-N 431.023 4.421 10 20 IICD O=C(Nc1ccc(F)cc1OC1CCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 806646750 YQDDZSKDIMXAAC-HXUWFJFHSA-N 444.503 4.302 10 20 IICD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 806840526 RKPMVFFOCCCHNB-UHFFFAOYSA-N 434.584 4.231 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F 807006255 LJEPIXFAJVPSNW-UHFFFAOYSA-N 426.847 4.067 10 20 IICD COc1ccc2c(C)c(CCC(=O)NCc3cc(Cl)cc(Cl)c3O)c(=O)oc2c1 807837652 ZIAOUVUCVJCTKF-UHFFFAOYSA-N 436.291 4.371 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1O 810210819 FNZMMVPYJNMJCJ-OXJNMPFZSA-N 435.490 4.354 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1 810347089 QGEMNRDFQATYBM-UHFFFAOYSA-N 441.531 4.340 10 20 IICD Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811703841 IOFQQVCMENEOAL-UHFFFAOYSA-N 432.311 4.328 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)c1cccc(Br)c1 813509144 VLWCWDURWGVJLX-LBPRGKRZSA-N 440.721 4.113 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1O 814171749 RIYNOLMONRSSIU-SJKOYZFVSA-N 426.391 4.290 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 914577954 DJQSGPJSHWVAGU-UHFFFAOYSA-N 428.944 4.421 10 20 IICD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 915061336 RAJKVZQLPDZALI-UHFFFAOYSA-N 439.556 4.290 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(C2SCCS2)c1 915778479 ISXLECUUSHAGET-UHFFFAOYSA-N 427.595 4.020 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccccc1OC(F)(F)F 916228893 OMAUGTPTLZTIQF-UHFFFAOYSA-N 425.476 4.138 10 20 IICD CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 1318054769 RINMJGPLPSYTTI-UHFFFAOYSA-N 429.586 4.147 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1F 1324269547 NNMKKTZGKXRGFL-UHFFFAOYSA-N 448.583 4.214 10 20 IICD CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832519563 KLQQBMATZAMXNI-MIGROESCSA-N 434.964 4.341 10 20 IICD CC(C)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1845502255 FKVOXTHBUHLESS-WKILWMFISA-N 434.964 4.031 10 20 IICD COc1ccc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 10732593 RQLPSBSQYINYPQ-UHFFFAOYSA-N 434.831 4.164 10 20 IICD CN(Cc1ccc(N(C)C)cc1)Cn1nc(CN2CCCC2)n(-c2ccccc2)c1=S 16874547 KEPNSQXIFDQRPD-UHFFFAOYSA-N 436.629 4.155 10 20 IICD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCSc1nccs1 79310604 OBBFMICJUUGHQR-INIZCTEOSA-N 426.007 4.240 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1 108430989 FOVZCDUVKGVSTN-UHFFFAOYSA-N 429.358 4.228 10 20 IICD Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(C)n1-c1ccccn1 303413243 RQOIHJCTDCRWDI-XMMPIXPASA-N 438.531 4.469 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3c(F)cccc3F)N(C)C)ccc21 604340849 MAZYAFITNGUSQJ-QFIPXVFZSA-N 429.511 4.215 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3OC[C@@H]3CCCCO3)CC2)cc1 726696947 GGKSHUXEOUJPSB-QFIPXVFZSA-N 439.556 4.434 10 20 IICD CC(=O)Nc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C 726697587 AGNMMLFBGDIROY-UHFFFAOYSA-N 432.471 4.345 10 20 IICD COc1ccccc1C(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 728484372 AOJLXBOCPFSSAU-UHFFFAOYSA-N 444.443 4.044 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OCC(F)(F)F)nc2)cc1 728837748 YROHZUJWKONYFU-UHFFFAOYSA-N 435.368 4.293 10 20 IICD COCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 729306564 SJGBVGHCTSWODX-UHFFFAOYSA-N 448.567 4.160 10 20 IICD C[C@@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 729344552 XIBYSCSWJZBAIU-HXUWFJFHSA-N 443.547 4.291 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 729594656 RYVBQZWIGXVVQA-DEOSSOPVSA-N 432.593 4.356 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCc2ccccc2C1 730117724 CBNHMZJQWDCVHI-UHFFFAOYSA-N 433.474 4.200 10 20 IICD Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 730199878 HGMLHLPKRJSWOB-LBPRGKRZSA-N 449.488 4.277 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 731282338 MUPZZDGVNCVOIX-QHCPKHFHSA-N 437.584 4.499 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)cc1F 731345574 BJZWHYWUPOKVME-UHFFFAOYSA-N 428.483 4.418 10 20 IICD Cc1nn(C)cc1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 733607100 CLFNNTMYFIYEDK-OAHLLOKOSA-N 431.439 4.166 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 734470400 CFPPBFCKFLQDMG-AWEZNQCLSA-N 438.597 4.145 10 20 IICD CC(C)OC(=O)NCc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 735176059 DBCBQHFJIMJWRZ-OAQYLSRUSA-N 441.528 4.240 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(-n4cccn4)ccn3)c2C)cc1 736857753 XPYGLHBUAHIPMV-UHFFFAOYSA-N 444.491 4.113 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3nc(-c4ccccc4F)oc3C)cc2F)CC1 737556004 WQMOOGRRBOQISP-UHFFFAOYSA-N 440.494 4.000 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CC2)cc1 739946162 VZCCQEBNKDMEDQ-UHFFFAOYSA-N 448.894 4.268 10 20 IICD O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCC1 742476238 PIFKFJDQGBGXOS-UHFFFAOYSA-N 434.584 4.105 10 20 IICD Cc1nnc(-c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)o1 746201230 UOQRXRAKZPDCBP-UHFFFAOYSA-N 428.439 4.045 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2cc(Br)ccc2O)cc1OC 747440028 IZTMLHJREVMMAP-LJQANCHMSA-N 447.329 4.120 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H]1c1ccc(Br)cc1 748715714 YPYBLMPHMWPWMZ-PMACEKPBSA-N 431.399 4.422 10 20 IICD CC[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Oc1ccccc1Cl 748960622 PPRFMYBQUVUYPO-OAQYLSRUSA-N 445.991 4.206 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccnc(OC4CCCCC4)c3)CC2)cc1 749423903 TZDBKKDBJPFBEE-UHFFFAOYSA-N 438.572 4.224 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1 753014179 YQMIUFXCRIVCCD-UHFFFAOYSA-N 437.519 4.122 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3cccc(-c4ccccn4)c3C)CC2)cc1 755136769 KBTHHXMEAXEJMN-UHFFFAOYSA-N 444.579 4.008 10 20 IICD C[C@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Br)cc(Cl)c1O 756476805 VEBFPBJNZACBCK-LBPRGKRZSA-N 432.767 4.323 10 20 IICD C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(Br)cc(Br)c1O 756788528 VYIGXHISOMJJIB-CMPLNLGQSA-N 435.156 4.254 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)CC2)cc1 758448209 GOCPCSJRJPIDRO-LADGPHEKSA-N 441.547 4.365 10 20 IICD COc1ccc(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl 760500870 BICAINRBZVNWIU-UHFFFAOYSA-N 426.900 4.419 10 20 IICD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCc1cccc(Br)c1O 765727541 CDUGKDQIKJRDQR-VBKZILBWSA-N 441.366 4.245 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@@]3(C)NC(=O)OC(C)(C)C)CC2)cc1 765761059 QRORLQCDRDSRBH-PXDATVDWSA-N 445.604 4.254 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H]3CCc4c3ccc(Cl)c4Cl)cc2)CC1 765978036 BOCHTMGHHFZIND-LJQANCHMSA-N 425.381 4.005 10 20 IICD COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 765993821 NABKESUWGIINDG-UZLBHIALSA-N 431.964 4.026 10 20 IICD CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 774846685 RZMWQBQXKZDJRB-HXUWFJFHSA-N 442.512 4.258 10 20 IICD CC[C@@H](C)n1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 778290656 WOZYRNAWHKVKOW-IIBYNOLFSA-N 443.592 4.224 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 778927742 UMJNABLGXGPPTK-UHFFFAOYSA-N 427.844 4.202 10 20 IICD CCNC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 799878558 UPELDZCIPLSHTB-KRWDZBQOSA-N 442.991 4.325 10 20 IICD CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 800855216 BUXBUUZVLMSXKZ-VWLOTQADSA-N 440.540 4.066 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 801947371 WHMAVZFZIJPIBX-NNPDTBDGSA-N 435.572 4.145 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](CC)c2cc(Cl)cc(Cl)c2O)cc1OC 806131712 MFPWHHNKXKQEPZ-QGZVFWFLSA-N 441.355 4.463 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(F)cc1OC1CCOCC1 806645585 JIZCPVNVLFTNRA-UHFFFAOYSA-N 439.281 4.173 10 20 IICD Cc1nc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 808563912 WKCLSJKJSFBQBW-UHFFFAOYSA-N 448.957 4.161 10 20 IICD Cc1cc(CCNC(=O)N[C@H](C)c2noc(COC(C)C)n2)c(C)n1-c1ccccc1 811972595 QUIFZRIHTJSJNT-QGZVFWFLSA-N 425.533 4.005 10 20 IICD C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 815153290 LTLCXUHSGYDVHA-WMZHIEFXSA-N 432.568 4.082 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 820006443 XXHZOEDQVWCETR-GOSISDBHSA-N 440.507 4.279 10 20 IICD COc1cc(OC)c(OC)cc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915733296 KBCKQKDGCUQCKK-UHFFFAOYSA-N 448.479 4.383 10 20 IICD Cn1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(Cl)c1Cl 916457585 GTINJZQYFGLLBE-UHFFFAOYSA-N 436.261 4.117 10 20 IICD CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 916679944 APPVQQACZCQQJR-HOTGVXAUSA-N 444.507 4.329 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 918274769 JJKGWYVVRADJEX-UHFFFAOYSA-N 427.508 4.385 10 20 IICD O=C(Nc1ccccc1Cc1ccccc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294914 MZAFSKWHOVMUIX-HSZRJFAPSA-N 444.531 4.129 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3c(Cl)ccc4cccnc34)CC2)cc1 918746593 KUJPKADEYZUUKL-UHFFFAOYSA-N 441.984 4.479 10 20 IICD FC(F)(F)COc1cccc(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)n1 1320895112 WQSWUQKFDWQBOW-UHFFFAOYSA-N 425.354 4.408 10 20 IICD CS[C@@H]1CC[C@H](N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1329772231 GUWHLCCJKWSJMS-AXAJZXMSSA-N 440.681 4.472 10 20 IICD Cc1cc(O)c(CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1C 23271597 RHFJMYCECSJOSO-UHFFFAOYSA-N 446.473 4.396 10 20 IICD CC(C)c1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 23446382 UVHZQIKDGPWTRD-UHFFFAOYSA-N 448.567 4.288 10 20 IICD CCOc1ccccc1C(=O)NCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 24208130 CEVPNXCPCSPTQM-UHFFFAOYSA-N 437.584 4.244 10 20 IICD COc1ccc(N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)cc1 69579755 LMZRIMZLLQDOON-UHFFFAOYSA-N 431.496 4.031 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c2cnn(C(C)C)c2n1 96995226 SXFFRYJIXUXSRO-OAQYLSRUSA-N 435.572 4.208 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2nc(C)cc(C)n2)cc1 303530537 WLODGJQHGHSNIS-UHFFFAOYSA-N 436.581 4.494 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 728979637 JTXJTAVAYOEQDP-MRXNPFEDSA-N 440.521 4.001 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCCCc3cnc4c(C)c(C)nn4c3)ccc21 729198907 DIBRITJBMFVREF-UHFFFAOYSA-N 434.540 4.354 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(CCN4CCOCC4)cc3)cc2)CC1 731105602 LRDPYRNABUSKGT-UHFFFAOYSA-N 436.600 4.119 10 20 IICD Cn1ccnc1-c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 736971488 HTLRMDMSIYVKMM-UHFFFAOYSA-N 441.482 4.479 10 20 IICD Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 737512115 NWUKZCOVCMNZAP-GJZGRUSLSA-N 441.478 4.472 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 738299690 QFRMFBRQHMXELS-DEOSSOPVSA-N 439.600 4.346 10 20 IICD CC(C)CNC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl 741061716 FNDDMEDOLUCMJV-UHFFFAOYSA-N 426.948 4.424 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 742111783 AKHUZSZGNRWNPV-ICSRJNTNSA-N 426.561 4.302 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cccc3cccnc23)NC(=O)OC(C)(C)C)cc1 742750546 DURMOMGMOYKLQS-OAQYLSRUSA-N 434.540 4.297 10 20 IICD O=C(Nc1ccn(Cc2ccccc2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743115075 SQYNTYABQLBVAP-GOSISDBHSA-N 441.482 4.323 10 20 IICD Cn1ccnc1-c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743141570 VSWCPYSHEWLEON-GOSISDBHSA-N 441.482 4.479 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)nn1 743191012 AUHFHRANKYZAEQ-UHFFFAOYSA-N 447.539 4.108 10 20 IICD C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 743554628 JMBPBMDOBVOGAI-IFMALSPDSA-N 433.474 4.071 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CSc1ccc2c(c1)OCCO2 743807776 FWGCMOKITWRUOC-UHFFFAOYSA-N 438.343 4.067 10 20 IICD C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 746187794 UNWKIABTIXHKRJ-MBSDFSHPSA-N 426.532 4.308 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 749636047 KTSXXRYMGHKZDS-UHFFFAOYSA-N 447.539 4.069 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1F 753738879 MKLIPYFMTVVYKT-UHFFFAOYSA-N 443.519 4.073 10 20 IICD C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756618281 RWHWBGUTGCWVDN-QRQCRPRQSA-N 426.494 4.144 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 757249932 AHKLCKJHUVTXQA-UHFFFAOYSA-N 435.471 4.203 10 20 IICD COc1cc(N2CCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)cc(OC)c1OC 759222449 ZYIHQWNVYFJQEO-NRFANRHFSA-N 426.557 4.191 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2C)ccc1Br 759225106 XPCJEKJCEQHAKQ-UHFFFAOYSA-N 444.285 4.118 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1C[C@@H]1c1cccc(Br)c1 761223623 LGLXPDXNIREXDD-CVEARBPZSA-N 435.705 4.128 10 20 IICD C[C@@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 764760160 CCFRDHOCRAZTDW-HOYKHHGWSA-N 447.982 4.040 10 20 IICD C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1 764788834 BZRAZHRUXMDEBD-YJBOKZPZSA-N 432.362 4.007 10 20 IICD O=C(Nc1ccc(C(=O)NCc2cccc(Br)c2O)cc1)OCC(F)(F)F 765727832 PNWJUGPRJKEOPW-UHFFFAOYSA-N 447.207 4.196 10 20 IICD CCOCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 765854497 LIIXALSGHZBPFR-KRWDZBQOSA-N 425.520 4.153 10 20 IICD C[C@@H](NC(=O)CSc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 766403614 BXZMGFDJSFEHMG-OAHLLOKOSA-N 435.387 4.255 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(F)c1F 766521273 HEMQVPWYWLLKDG-ZDUSSCGKSA-N 443.416 4.381 10 20 IICD C[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]1c1ccccc1 769922726 KFMFJIZVDHEFEC-XOBRGWDASA-N 428.535 4.088 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)NC(=O)OC(C)(C)C)cc1 777300570 FBTUQQWDQKVRRQ-FUMNGEBKSA-N 437.675 4.288 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4c(Br)cccc43)cc2)C1 783502895 BBZDUWGOJMCFNN-VGOFRKELSA-N 442.401 4.318 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 785542535 DQSLBCQGTKEJKY-UHFFFAOYSA-N 430.479 4.046 10 20 IICD COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1C(F)(F)F 790957392 ADABMYWLYGWOKP-UHFFFAOYSA-N 435.446 4.458 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)N(C)c2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1 795248381 BEKIDFMUROUVFO-FQEVSTJZSA-N 430.524 4.304 10 20 IICD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 802092067 AXQQNKIHDOQWMU-UHFFFAOYSA-N 448.470 4.049 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1ccccc1Sc1ccccc1 804945693 NQTSEZDKENWWEW-UHFFFAOYSA-N 443.572 4.147 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc(-c2ccccc2)c1 807057421 FDEKRVHLIZSJGT-UHFFFAOYSA-N 425.282 4.077 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccccc1Oc1ccccc1 807386899 OZABMIUCZHLGDC-UHFFFAOYSA-N 441.281 4.202 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl 807511285 KCTAXIMKEHTBGG-UHFFFAOYSA-N 431.703 4.395 10 20 IICD COc1ccc([C@@H](O)C2CCN(Cc3cc(Br)cc(OC)c3O)CC2)cc1 812774815 XSSZCNQSAXAUCP-HXUWFJFHSA-N 436.346 4.118 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c1 815835569 XVOMSPXQGSXYOJ-ZDUSSCGKSA-N 429.904 4.289 10 20 IICD C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N[C@H](C)C(N)=O)c2C1 838629893 YWOFPSKISCVVDK-BXJFVYROSA-N 442.563 4.027 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)c2c(C)nn(C)c2C)sc(C)c1-c1ccc(C)cc1 843358878 ZMPOXNIUIVVDGZ-UHFFFAOYSA-N 439.537 4.380 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)c1c(F)cccc1F 857472316 KEMAYKFFEPVBHI-AWEZNQCLSA-N 430.829 4.196 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 916457850 OXJLNFSDGJIBOE-UHFFFAOYSA-N 449.385 4.126 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccc1-n1cccn1 916631486 HSRMIBGYSLGOTC-UHFFFAOYSA-N 445.445 4.049 10 20 IICD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 917697779 ORSPWMOLVIJAHI-GOSISDBHSA-N 427.570 4.102 10 20 IICD Cc1nn(C)c(C)c1-c1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n[nH]1 919322220 LEOYQLJYCNHJOK-UHFFFAOYSA-N 449.486 4.013 10 20 IICD CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1116228737 RWIWDGMWZDMADS-UHFFFAOYSA-N 439.427 4.124 10 20 IICD CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)n1 1323391363 ZOOFXUGSOVYYKU-UHFFFAOYSA-N 429.480 4.104 10 20 IICD Cc1nc(C)c(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)s1 1842415126 RUKWLQWFRZEMTP-UHFFFAOYSA-N 448.592 4.298 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(NCCc2ccccc2)s1 10607354 CHXAEXLGFOKAFR-UHFFFAOYSA-N 441.626 4.009 10 20 IICD C[C@@H](c1ccccc1)n1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O 23645861 HTLHMHSPUVJCCW-HNNXBMFYSA-N 432.501 4.392 10 20 IICD Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 110524015 RQBFZTHIIIXOOA-IRXDYDNUSA-N 438.547 4.271 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)n1CC(F)(F)F 117739224 BHTLTTLBWHNCEZ-GASCZTMLSA-N 441.469 4.350 10 20 IICD CCc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)CC2)cc1 482547397 FQMOTGYESHQDIS-UHFFFAOYSA-N 447.579 4.065 10 20 IICD CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 581515428 QDFMVYRXNICTMY-DEOSSOPVSA-N 446.532 4.008 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC1=S 727176470 KYDSJHGXCBFNBU-LSCADSNKSA-N 434.627 4.033 10 20 IICD CN(C)c1ccc(CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1F 727602689 XQEZOEGTESMRJG-UHFFFAOYSA-N 428.335 4.293 10 20 IICD COc1cccc(CNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1O 727763027 YJBSEEAXLWHZTE-UHFFFAOYSA-N 429.270 4.281 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc(-c2cccc(Br)c2)n1 728697359 FFDSVLQQAFTWDU-YBEGLDIGSA-N 426.295 4.034 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c1 728945761 IOVYGUSEDVAVII-FHWLQOOXSA-N 425.573 4.439 10 20 IICD Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)n1-c1ccc(Cl)cc1 733977897 PVAMKTCDTCKMPT-UHFFFAOYSA-N 433.899 4.284 10 20 IICD CN(C)c1ccc(CN(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)C2CC2)cc1 740486599 SNTDPBCQDRXZCU-UHFFFAOYSA-N 430.593 4.263 10 20 IICD CCOc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])cc1OCC 741058898 YOEWNEGKWOMIJJ-UHFFFAOYSA-N 426.473 4.090 10 20 IICD Cc1c(Br)cccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 742557690 WJBDIGKLKVPCIW-ZIAGYGMSSA-N 435.337 4.440 10 20 IICD COc1cc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC 745503773 NKODKJKAWABVEC-QGZVFWFLSA-N 429.561 4.460 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)o1 748091603 FETBANMUNIERTM-UHFFFAOYSA-N 426.903 4.342 10 20 IICD Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(N(C)C)n1 749991996 BALHOGUMKNDSHW-FOWTUZBSSA-N 446.623 4.138 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1O 750044712 JGTYBLCWYUOWOZ-ZDUSSCGKSA-N 446.960 4.239 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 754750229 VSZXIYSPXYIEEA-OAHLLOKOSA-N 426.561 4.291 10 20 IICD C[C@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 756515042 BSAXYOSYAAUBSA-IFXJQAMLSA-N 439.434 4.043 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3cc(F)ccc3O)c2)cc1 756584328 SGQDPZMWAVJKMQ-HNNXBMFYSA-N 430.501 4.192 10 20 IICD COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc(Br)cc(Cl)c2O)C1=O 756741537 GIRFLDJYRVZRBQ-NHYWBVRUSA-N 439.737 4.273 10 20 IICD CCCCN1CCc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc21 761024975 OVDKMKIPKQMQIQ-UHFFFAOYSA-N 447.535 4.315 10 20 IICD CN1CC[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 762622251 CSBPUGVHGRUXNO-FDDCHVKYSA-N 435.946 4.237 10 20 IICD O=C(NCc1ccc(OCC(F)(F)F)cc1)NCc1cccc(Br)c1O 764762438 RLTKNZHTDHBJLD-UHFFFAOYSA-N 433.224 4.095 10 20 IICD O=C1Cc2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc3c2N1CCC3 764950370 JNMSWLIKKITKAV-UHFFFAOYSA-N 445.953 4.100 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3cccc(N4CCOCC4)c3)cc2F)C[C@@H](C)O1 765126658 LNZUMMCQOIINOK-ZCNNSNEGSA-N 427.564 4.127 10 20 IICD CCOc1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OCC 765250151 BDZFASDFCMVQQA-RXVVDRJESA-N 425.573 4.037 10 20 IICD CCC1CCC(N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)CC1 766881105 ZOZVVJSRGVPWEL-AATLZSDMSA-N 426.605 4.031 10 20 IICD Cc1cc(C(=O)N2CCOC3(CCOCC3)CC2)c(C)n1-c1ccc(Br)cc1 769394582 TXWRKPWIPCQYHK-UHFFFAOYSA-N 447.373 4.268 10 20 IICD C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769637481 IJCKMUYIBLGAQG-ZDUSSCGKSA-N 434.514 4.227 10 20 IICD CS(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1C(F)(F)F 775038585 WUPLSQFGNUNMPU-UHFFFAOYSA-N 426.504 4.389 10 20 IICD CC[C@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cc(Br)ccc1O 775565066 CPLYUIYTGCTCPJ-KSSFIOAISA-N 426.376 4.366 10 20 IICD C[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccc(N(C)C)cc1 776243479 CBZFNYPKPFICEQ-OAHLLOKOSA-N 444.963 4.233 10 20 IICD COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nc1Br 781647172 SGEPFUAAYYJJHI-UHFFFAOYSA-N 446.267 4.123 10 20 IICD CSCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 782424961 LAWZJJQUXFICKC-UHFFFAOYSA-N 437.565 4.376 10 20 IICD O=C(NC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1)Nc1ccccc1 782706734 OXHOXFXYQHPJCH-QHCPKHFHSA-N 435.572 4.173 10 20 IICD COCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc21 782845748 SYXHYGBMDGYRGB-UHFFFAOYSA-N 438.572 4.121 10 20 IICD Cc1ccc(-c2ncccc2NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 782914964 RWOJJVATANRLPI-SFHVURJKSA-N 449.580 4.142 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cc1 786054528 XZWQJLLGHGZBFW-OAQYLSRUSA-N 446.016 4.023 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1 786262254 KQPSRDXOFYGUBQ-UHFFFAOYSA-N 429.520 4.077 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3nc(Br)ccc3F)cc2F)CC1 788594483 NCIBLSZQEOQQCR-CQSZACIVSA-N 439.348 4.115 10 20 IICD CS(=O)(=O)c1ccc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 789906720 AVKHATYZEVIABN-LJQANCHMSA-N 428.579 4.425 10 20 IICD CN(C)c1ccc([C@H](CN[C@H]2CCC[C@H](c3ccnn3C)C2)NC(=O)OC(C)(C)C)cc1 790491678 XDLWZLRJNIVELR-ONTIZHBOSA-N 441.620 4.368 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 791249905 LFPKXXDEZQCTOO-UHFFFAOYSA-N 448.567 4.491 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c1O 794829352 RDOKVNPYXFMBEA-MEBBXXQBSA-N 442.151 4.103 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)c1 796789916 JTKRQBZTNBCPJH-CYBMUJFWSA-N 428.872 4.439 10 20 IICD Cc1ccc(CNC(=O)NCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 798337620 WGDFVKOULITELK-HXUWFJFHSA-N 431.536 4.290 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1O 800498430 JYFHIGHSPZBJGW-CYBMUJFWSA-N 432.318 4.391 10 20 IICD CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ccccn1 804700915 ADYSOYVYHZSJOL-UWJYYQICSA-N 442.991 4.245 10 20 IICD CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 807848245 SPLZMQCRXMELFJ-GOSISDBHSA-N 446.389 4.235 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 808093884 XPHWNIOMFAJWFO-MRXNPFEDSA-N 442.339 4.106 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCN(c2ccccc2F)C1 810318991 TWGTXPXWTXJMEA-MRXNPFEDSA-N 433.474 4.039 10 20 IICD Cc1ccc(CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 810448073 IDONTUBYPJTBHU-HXUWFJFHSA-N 431.602 4.437 10 20 IICD Cc1nn(C)c2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)ccc12 812983776 GRNIXBRFGAFUSC-QGZVFWFLSA-N 427.508 4.197 10 20 IICD Cc1nn(C)c2cc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc12 812991776 OAFJGOJPBOXGSQ-UHFFFAOYSA-N 429.471 4.274 10 20 IICD COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(=S)N(C4CC4)C3=O)cs2)cc1 814284171 FDOQXJSJIRAYEB-SXGWCWSVSA-N 431.564 4.200 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S 915852552 WBDRPYWMHUIFRF-LCYFTJDESA-N 432.336 4.434 10 20 IICD COc1ccccc1S(=O)(=O)Nc1nc(-c2cccc(Br)c2)cs1 916102311 YUVPAZHKQPXASB-UHFFFAOYSA-N 425.329 4.382 10 20 IICD O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2c(c1)OCO2 916232332 NMGRFUUSLMQAHN-DEOSSOPVSA-N 429.476 4.023 10 20 IICD COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1OC(C)C 918138058 GKOXWNZVBOULJJ-CALCHBBNSA-N 430.520 4.165 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1OC 918365011 JZGFUKCKHGZPOD-UHFFFAOYSA-N 433.555 4.178 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCN(CC(F)(F)F)CC1 918411823 MUSFPFXQTVFZMZ-UHFFFAOYSA-N 433.434 4.137 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(N2CCCCC2)c1 920188305 JRWCMNIVLZCOOF-UHFFFAOYSA-N 434.584 4.264 10 20 IICD CC(C)n1ncc2c1[C@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CCC2 1116629037 HRYIEXCQWYEDMH-HXUWFJFHSA-N 447.530 4.411 10 20 IICD CC(C)(C)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nn1 1318681490 LEAWVHIZLQOVHR-OWBHPGMISA-N 446.623 4.456 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2cc(F)ccc2c1Cl 1324121325 OBURFOSBWKMPAW-ZDUSSCGKSA-N 437.876 4.009 10 20 IICD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 1338278261 ZKWGRXBKZUYJHH-UHFFFAOYSA-N 438.572 4.311 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(c3nnc(S)n3C)CC2)c1 1338794870 WVECJPXYKLCTMT-UHFFFAOYSA-N 429.977 4.185 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(F)F)n[nH]2)cc1 1816840741 MBVOCKGVVIXTGM-LJQANCHMSA-N 441.482 4.388 10 20 IICD CCNC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)c1 11158563 APAWYGMARLRMFH-UHFFFAOYSA-N 435.911 4.371 10 20 IICD Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 16313928 IDWPKMPCNMKLPW-UHFFFAOYSA-N 445.418 4.305 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(Br)cc1 25468556 WJQFTPHPBDZRQD-UHFFFAOYSA-N 427.346 4.281 10 20 IICD CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)SC1=S 212761454 NWRJTYDFPOYIJF-AUWJEWJLSA-N 425.507 4.327 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Br)ccc1F 303030999 PTIHWRJOWKLJGL-UHFFFAOYSA-N 441.366 4.399 10 20 IICD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 323120567 SGYFZIKGSPTYJF-UHFFFAOYSA-N 442.074 4.171 10 20 IICD CC(C)c1nc(C2CCN(C(=O)Cn3c4c(c5ccccc53)CN(C(C)C)CC4)CC2)no1 560931488 PHTGJBSYIXWFQC-UHFFFAOYSA-N 449.599 4.320 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)SC2=S)cn1 726986000 IYWFFBHWQPYWBA-PGLQMZEQSA-N 429.567 4.093 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccccc3OC(F)F)n2)cc1 727242576 CGPUTDSGRXQMHP-UHFFFAOYSA-N 439.465 4.171 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)ccc21 728467879 VFHNFNLVZNBGIP-UHFFFAOYSA-N 435.568 4.266 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3CCSc4ccccc43)ccc21 728637842 SNSCBGBJFSCKCH-UHFFFAOYSA-N 438.549 4.200 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 728755809 AZNUERGWRGFNIU-UHFFFAOYSA-N 435.474 4.487 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3coc(-c4cccs4)n3)cc2F)C[C@H](C)O1 729947962 NAWCHUOIHMGGRC-GJZGRUSLSA-N 429.517 4.015 10 20 IICD CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731048363 KPAQPDAMLMANCZ-FQEVSTJZSA-N 436.600 4.451 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)cc1F 731408658 AWFVQPSZIGCHBH-UHFFFAOYSA-N 446.573 4.258 10 20 IICD CCc1cc(O)nc(-c2ccc(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nc2)n1 731662097 AIFBJRIRXUAHLL-HZPDHXFCSA-N 437.519 4.171 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 732476635 RAQHORPRZQYENJ-KRWDZBQOSA-N 432.362 4.355 10 20 IICD Cc1cc(CC(=O)Nc2cccnc2N2CCC(O)CC2)c(C)n1-c1ccc(Cl)cc1 733362665 VOFYSLMRQVDZEE-UHFFFAOYSA-N 438.959 4.285 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734008564 GBFCWYHDKWRTRV-SFHVURJKSA-N 448.489 4.264 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)c2cccs2)c(C)n1-c1ccc(OC(F)F)cc1 735388759 DMTGETVXEUXVCD-UHFFFAOYSA-N 425.478 4.414 10 20 IICD COc1cc(OC)cc([C@@H](O)CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 735692940 TTZUCEAYCUKPIZ-QHCPKHFHSA-N 442.943 4.157 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)c2)CC1 739599928 YUHKAMQMWWVITO-UHFFFAOYSA-N 435.977 4.079 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1OCC1CC1 741072566 YAGJPUOBJCNGGY-UHFFFAOYSA-N 427.520 4.145 10 20 IICD COc1cc(N(C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc(OC)c1OC 741795936 URIYVNCVNISHPQ-UHFFFAOYSA-N 427.328 4.114 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1 743284453 MXLAPPVZBLKSFX-SQVRNEIYSA-N 427.547 4.437 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(OC4CCCCC4)CC3)cc2F)C[C@@H](C)O1 747856082 GFOKOROCKYKXRM-RTBURBONSA-N 447.595 4.463 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(CN(C)Cc4ccccc4)c3)CC2)cc1F 753739372 REEVHPQOCDZWEI-UHFFFAOYSA-N 447.554 4.429 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1 756537490 ZSRDLYYKSHGRMM-CZUORRHYSA-N 426.579 4.004 10 20 IICD C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1O 756599339 ZJUNUYGCTMYAGS-CQSZACIVSA-N 432.929 4.487 10 20 IICD COc1ccc([C@H](N[C@H](C)c2ccc(F)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622404 WUYPUTMPEFADBY-CMJOXMDJSA-N 429.513 4.384 10 20 IICD CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Br)cc(Br)c1O 756664334 NNFGFKAJLOVURJ-VIFPVBQESA-N 447.171 4.073 10 20 IICD CNC(=O)CCOc1ccc(N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1 757591320 DLBOGLYRFXPNFQ-LLVKDONJSA-N 427.726 4.496 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Br)cc2-n2cncn2)cc1 758158283 GKZWBNLMQQJBMK-UHFFFAOYSA-N 442.361 4.148 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)cc(OC)c1OC 760093672 AZKTXCRVNGZWIX-QHCPKHFHSA-N 441.572 4.331 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1 761967083 GYDYJQHKPRLWTF-CQSZACIVSA-N 434.330 4.089 10 20 IICD CCc1csc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2)n1 762466098 AVTDSIVWFDNVSY-UHFFFAOYSA-N 435.553 4.393 10 20 IICD C[C@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765602730 WJUFWZVBGBZZNF-ZWKOTPCHSA-N 438.012 4.474 10 20 IICD Cc1ccc(C)n1-c1ccc(-c2nc(CC(=O)N3CCn4c3nc3ccccc34)no2)cc1 771057969 TZFHLJWEVNRVQW-UHFFFAOYSA-N 438.491 4.083 10 20 IICD Cc1ccc(CNC(=O)c2nnc(CN(Cc3ccc(N(C)C)cc3)C3CC3)s2)cc1 771792133 WJSHSEIPFOUOCP-UHFFFAOYSA-N 435.597 4.007 10 20 IICD CCOc1ccc(-c2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)cc1OC 772778085 ZNJSGBWQMILIDH-UITAMQMPSA-N 427.478 4.385 10 20 IICD CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 773103790 LBQFZUVYGJSXAJ-HFRGRHLUSA-N 437.563 4.281 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Br)ccc1O 775490345 CBNFAFJFROOZQL-JXFKEZNVSA-N 446.389 4.097 10 20 IICD Cc1cc(Br)cc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O 776058276 JCNODPKYOZIGFD-HOTGVXAUSA-N 447.373 4.002 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 777939545 DZRCTQACVOSQLZ-QVKFZJNVSA-N 434.367 4.286 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2)n1 783316779 MNWUQNGLCIMFEX-UHFFFAOYSA-N 434.540 4.400 10 20 IICD COC(=O)c1csc(-c2cccc(CNC(=O)NCCCSc3nccs3)c2)n1 790425387 QJDSKAPQABDIDW-UHFFFAOYSA-N 448.595 4.035 10 20 IICD Oc1ccccc1CNCc1cc(I)c(Br)cc1F 798494461 OIGCYZSZPZWVTF-UHFFFAOYSA-N 436.062 4.188 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 801633526 MBTASESXADFFIC-UHFFFAOYSA-N 440.588 4.377 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)c2ccccc12 806493784 DPRVREQXRCABCC-MJGOQNOKSA-N 448.542 4.241 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 807512863 MQOCNDABWCKKEK-UHFFFAOYSA-N 427.259 4.024 10 20 IICD CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 808488023 YKOOGDSLPGKXMY-BOPFTXTBSA-N 443.455 4.155 10 20 IICD COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811705384 TXVLRQYBKFXDJV-UHFFFAOYSA-N 448.310 4.028 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2C)c1 812279916 WLKRDCHJGMOSBD-GOSISDBHSA-N 435.490 4.242 10 20 IICD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1C 812562111 KLOKWYOGWMKRAG-UHFFFAOYSA-N 431.495 4.071 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1(S(=O)(=O)c2ccccc2)CCCCC1 813685756 QTDPWNRKJYEGNB-UHFFFAOYSA-N 442.364 4.492 10 20 IICD Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1CC(=O)O 871792487 CWBAAAYURCXFKG-UHFFFAOYSA-N 444.597 4.050 10 20 IICD O=C(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Nc1ccc(F)c(F)c1 915720841 FRCBXAFWRCMBMK-UHFFFAOYSA-N 437.406 4.074 10 20 IICD CN(C)C(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 915753484 DGQVROCSRBCKSP-UHFFFAOYSA-N 429.480 4.059 10 20 IICD CC(=O)Nc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1C 916680384 IZGLLKFGQQPICG-IYBDPMFKSA-N 428.508 4.028 10 20 IICD CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1ccc(OC)cc1 917117788 VSADECXQDJPRBB-AOYPEHQESA-N 449.595 4.302 10 20 IICD Cc1nc2cc(F)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2nc1C 917712225 VZRKCHVXVYLYLD-KBPBESRZSA-N 440.494 4.068 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)C1 917834609 LCOKNIPNWKBGAY-LJQANCHMSA-N 439.987 4.170 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C2CC2)cc1 918456501 KVNPHEYIKAVARX-UHFFFAOYSA-N 449.551 4.314 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)c2ccccc12 919958062 RYVUELYHIAVUGT-UHFFFAOYSA-N 448.566 4.109 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1116954306 SMFGMHHLSHRXIV-OFNKIYASSA-N 435.572 4.004 10 20 IICD CCOc1ccc(OCC)c(NC(=S)NCc2cccc(OCC(F)(F)F)n2)c1 1324770668 CIIDUYLULLRMPF-UHFFFAOYSA-N 429.464 4.307 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CC(F)(F)C2)C3)cc1 1800511717 FTROPRFAWYXERT-QQFNCUIESA-N 441.522 4.391 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Cl)c1OC 23724606 BFVHCTDNJUTYNL-NVNXTCNLSA-N 435.910 4.461 10 20 IICD CCOc1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 110360058 JCZGKDCXJQBMJB-UHFFFAOYSA-N 442.556 4.290 10 20 IICD O=c1c(Cl)c(NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccc(Cl)cc1 301109989 VBBUIZDLMMMMDD-UHFFFAOYSA-N 449.313 4.127 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)N3CCc4sccc4C3)ccc21 482709927 XGKLEBLGJYYKMO-INIZCTEOSA-N 425.598 4.143 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cnc2ccc(Br)cn12 577446072 CSMYZAWLZTXTBI-YRNVUSSQSA-N 427.689 4.404 10 20 IICD CCN(CC)CCOc1ccccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 726697642 AZBALMJBYOQLRX-UHFFFAOYSA-N 440.588 4.206 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(Br)cc1 727740776 UOROXHCWFXHIAR-UHFFFAOYSA-N 446.389 4.187 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3sc(-c4cccs4)nc3C)cc2F)CC1 730194848 RCEZVRLJPOOQTO-UHFFFAOYSA-N 444.601 4.391 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)c(C)n1-c1ccc(C(C)C)cc1 733588124 MUTINFUWFWVTNP-UHFFFAOYSA-N 443.521 4.254 10 20 IICD Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)n1-c1cccc(Cl)c1 733885507 HEEVYMSETQIGDU-UHFFFAOYSA-N 433.899 4.284 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 734404556 KKGZWCJFAYNAAA-MCADVSAISA-N 425.617 4.034 10 20 IICD Cc1nnc(-c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c2)o1 743899430 UTMIWWYUTXBNMF-UHFFFAOYSA-N 447.539 4.069 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(F)cc1Cl 751921205 YGXOJSQQZVRULO-NSHDSACASA-N 433.892 4.293 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C(C)C 753468687 WWXWCMXTPCICOR-GJZGRUSLSA-N 429.536 4.332 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@]34CCC(=O)N3c3ccccc3S4)ccc21 754550491 QZSAMGLZJGWREB-RUZDIDTESA-N 440.480 4.030 10 20 IICD CCc1nc([C@H](C)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 754789779 GAHWODNCIDWFGK-UONOGXRCSA-N 433.533 4.159 10 20 IICD C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)cc(F)c1O 756483907 ZJFQHDZIYGINJQ-JTQLQIEISA-N 436.730 4.072 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 757405997 PPIFMSRYYQBGDR-XMMPIXPASA-N 437.609 4.008 10 20 IICD COc1ccccc1[C@@H](CNC(=O)NCCCSc1nccs1)N1CCCCC1 759568385 MWHNXXMTJNNKHI-GOSISDBHSA-N 434.631 4.160 10 20 IICD C[C@H](NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(N2CCOCC2)c(F)c1 764874342 DKPHOKHZCQYHCO-HNNXBMFYSA-N 426.458 4.229 10 20 IICD C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 767780800 LXSMZRRPKVYPJY-HOTGVXAUSA-N 432.362 4.407 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773844945 FAUSZYAABAJXPZ-CQSZACIVSA-N 437.462 4.376 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)ccc21 774184515 CBBGTZFUXXOWBH-UHFFFAOYSA-N 442.604 4.002 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C2CC2)cc1 775215495 BKVCIOZDXFPRSU-JOCHJYFZSA-N 425.960 4.165 10 20 IICD Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc(Cl)n1 778938604 WHNCFLUTQQTQJD-GOSISDBHSA-N 432.952 4.105 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897225 WHJGBZQVLHTPCZ-UHFFFAOYSA-N 432.524 4.186 10 20 IICD CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 783889533 GLCGJSDCBXULOC-QHCPKHFHSA-N 446.507 4.077 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 785749131 DYMVUHKXVYXNDJ-LJQANCHMSA-N 449.551 4.151 10 20 IICD COc1ccc(CNC(=O)CCCCc2ccc(I)cc2)c(O)c1 794383491 POCSRXBWKDTQJW-UHFFFAOYSA-N 439.293 4.035 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 794853185 ULJRGKWAHSLTER-UHFFFAOYSA-N 437.005 4.399 10 20 IICD CC(C)Oc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)ccn1 800636629 LWYFZBOKKUXVCT-INIZCTEOSA-N 444.963 4.013 10 20 IICD CCc1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)sc1C 800637406 YDFSOIFXUOYGJE-ZDUSSCGKSA-N 434.993 4.159 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(C4(C)OCCO4)CC3)cc2Cl)C1 800718865 DULCNFYTPXJONX-KRWDZBQOSA-N 435.996 4.261 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccn(Cc2ccc(F)cc2)c1=O 806345422 XJSHYGVUOHMVEY-UHFFFAOYSA-N 436.270 4.370 10 20 IICD COC(=O)Nc1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 807492426 HQOWMIMLKVNFPW-UHFFFAOYSA-N 436.512 4.436 10 20 IICD C[C@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(N2CCOCC2)cc1 808305017 AXEWJNKAKQBUGE-HNNXBMFYSA-N 440.341 4.325 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1 812053993 NPLAOORFURUYLF-UHFFFAOYSA-N 438.329 4.426 10 20 IICD C[C@@H]1CCCN(c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)ccn2)C1 812457132 DRQVOTQFAKZAOU-YKSBVNFPSA-N 436.600 4.205 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1F 812885120 KLKQSHYSCNHWIF-QGZVFWFLSA-N 441.551 4.152 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccncc2)nc2ccccc12 917707435 GDEVIKJFYWTPDS-UHFFFAOYSA-N 442.494 4.203 10 20 IICD Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917714731 OKICCVITHGTGJU-ZIAGYGMSSA-N 429.517 4.394 10 20 IICD CCN(CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C 918214356 RWXZZAFKLJZTBR-UHFFFAOYSA-N 432.609 4.465 10 20 IICD O=C(Nc1ccccc1Oc1ccccc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294878 LSMPQEUUAKZYIJ-NRFANRHFSA-N 446.503 4.331 10 20 IICD CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H](C)c1cc2ccccc2o1 919911739 SDYROBAZPPQTDR-RXVVDRJESA-N 448.567 4.427 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920870781 DQHJFDOENVYDES-HNNXBMFYSA-N 430.936 4.408 10 20 IICD Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 920880760 GNRYYACQWDAJOX-KRWDZBQOSA-N 437.565 4.358 10 20 IICD CCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 1117110561 NPPUMIQQPHPPQN-UHFFFAOYSA-N 443.613 4.472 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c1 1323886765 LQDNDSIIFIJQMH-UHFFFAOYSA-N 427.957 4.407 10 20 IICD C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1791243887 DZJQZVCDVOYSPJ-XCJMYRHZSA-N 434.492 4.083 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1Sc1ccccc1 71939560 UANLOQVYJRNDIS-UHFFFAOYSA-N 437.540 4.263 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(Br)cc1F 109375842 HZTGFGLTUVLERT-UHFFFAOYSA-N 435.337 4.016 10 20 IICD NS(=O)(=O)c1cccc(Nc2ccc(NCc3ccccc3)c(Cl)c2)c1[N+](=O)[O-] 302011869 CWIYATRTJHLHMJ-UHFFFAOYSA-N 432.889 4.251 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2c(C)c3ccccc3n2C)cc1Cl 471224518 ZYNDTJBOCKSOPR-UHFFFAOYSA-N 439.972 4.438 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc(C)c1Br 472774954 HPPJJECVQHHQMX-UHFFFAOYSA-N 428.330 4.121 10 20 IICD CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)C2=S=C(c3ccc(F)cc3)C=C2)cc1 499444212 OCJAQTXBFXCZAN-UHFFFAOYSA-N 431.554 4.174 10 20 IICD CC1=CC(NC(=O)c2cccc(F)c2)=S=C1C(=O)Nc1ccc(-c2ncco2)cc1C 565802790 IIOFVKKPNPUUNO-UHFFFAOYSA-N 435.480 4.153 10 20 IICD COc1cccc(OC)c1Oc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)cn1 725846510 HCWNWOWPPAQISL-UHFFFAOYSA-N 445.859 4.448 10 20 IICD C[C@H]1CCCC[C@@H]1OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612458 ZZUDYGZWSSRJLO-JXFKEZNVSA-N 425.520 4.151 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cc(-c4ccccc4)on3)cc2F)C[C@@H](C)O1 726848409 AAKYRPAJCHPXCG-CALCHBBNSA-N 438.503 4.094 10 20 IICD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2 729654460 NYIVIOZZLDHEOV-BQYQJAHWSA-N 436.439 4.172 10 20 IICD C[C@@H](NC(=O)COc1ccccc1OCc1ccccc1)c1ccc(N2CCOCC2)cc1 730750863 ROTWORGDFBLDBP-OAQYLSRUSA-N 446.547 4.358 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 730902448 HUUKMTGCKGABEH-FQEVSTJZSA-N 445.560 4.258 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 731280471 ZSJWYFZMGGUDDH-BGYRXZFFSA-N 425.573 4.123 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1F 731346333 VMTJQKPSOJZADZ-ACCUITESSA-N 437.559 4.240 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1F 731363513 IAMJRGBCKKYIIH-UHFFFAOYSA-N 428.552 4.102 10 20 IICD CCOC(=O)c1sc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1C 731844572 KFFMMYDTMVRIGA-UHFFFAOYSA-N 428.510 4.173 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1OC 732204123 DHCXUSIWKKFBMQ-SFHVURJKSA-N 426.557 4.340 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1 734552809 RMUZCZLECONQCA-UHFFFAOYSA-N 449.488 4.357 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 734687166 MAQBCBFHIKCMJD-FQEVSTJZSA-N 432.362 4.107 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc4oc(CC(C)(C)C)nc4c3)ccc21 737168184 ZKKKVWIGYTWQLU-UHFFFAOYSA-N 434.540 4.054 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2cccc(Br)c2)CC1 740916415 CROIKJITGPPQKS-UHFFFAOYSA-N 426.358 4.356 10 20 IICD CCN1CCN(c2ccc(CNCc3cn(-c4ccc(Cl)cc4)nc3C)cc2F)CC1 742370220 XBXOUTNMLOIRLT-UHFFFAOYSA-N 441.982 4.405 10 20 IICD COc1ccc(-c2n[nH]cc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 742619894 ZQYQVGPNJVUDIR-UHFFFAOYSA-N 442.466 4.086 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 743475277 ZZSWFTMMHLBOBJ-ICSRJNTNSA-N 447.583 4.004 10 20 IICD C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1C(F)(F)F 745221956 JHHUHWUUUVFRFO-INIZCTEOSA-N 436.474 4.467 10 20 IICD Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)C[C@@H](C)O2 747890041 HPHCQVFBCCICLR-CQSZACIVSA-N 442.427 4.106 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3nc(C4CCCCC4)no3)CC2)cc1 753006718 ZRDPACOWTHPYOT-QGZVFWFLSA-N 427.549 4.109 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 753274451 YVOOZMZADTVUGL-FQEVSTJZSA-N 439.453 4.137 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1F 753740860 WZECLYLNVCENQJ-UHFFFAOYSA-N 429.492 4.144 10 20 IICD Fc1ccc(Cl)cc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 753849275 RBOOHPDGBXTLKX-UHFFFAOYSA-N 429.902 4.025 10 20 IICD COc1ccc([C@@H](N[C@H](C)c2cc(OC)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756620627 LHGKKAUYSMGDFH-VOIUYBSRSA-N 441.549 4.253 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)cc1 757252217 UELWIAQYLFJHJR-UHFFFAOYSA-N 431.544 4.245 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@]3(CO)C[C@H]3c3ccc(F)cc3)cc2)CC1 758679025 JZJHEIZOSRJXAJ-ZCYQVOJMSA-N 425.548 4.027 10 20 IICD Cn1nc(C(F)(F)F)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1Cl 758910148 HUADONUZBNGQQZ-UXBLZVDNSA-N 447.847 4.196 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2c1cccc2C(F)(F)F 760095291 SFWCHIIHYLVPAK-UHFFFAOYSA-N 437.437 4.078 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(CCCO)[C@H]1CCCc2ccccc21 763077530 RYWREWUOVRQKHO-DEOSSOPVSA-N 439.625 4.211 10 20 IICD COc1ccc(N2CCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)cc1F 763843665 SVFQNEMJHCYURB-UHFFFAOYSA-N 428.533 4.147 10 20 IICD C[C@H](NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 765453742 SGUPXGPERGJVPW-MHECFPHRSA-N 447.982 4.040 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1 772142278 KBRPLFBGLUJXQI-OAQYLSRUSA-N 434.521 4.426 10 20 IICD O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 775221658 RNEFBFOIYFPTGR-QFIPXVFZSA-N 438.911 4.435 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)c(Br)c(F)c1)c1ccc(N2CCOCC2)cc1 775380236 WXGJZDZNNXYGPY-GFCCVEGCSA-N 440.288 4.447 10 20 IICD C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc(N(C)C)cc1 775407735 UXABHOYTLMOFDP-CYBMUJFWSA-N 431.309 4.331 10 20 IICD C[C@H]1CN(c2ccc(CNCc3cnn(Cc4ccc(F)cc4)c3)cc2F)C[C@@H](C)O1 780508141 GDJKEONYCGELIS-HDICACEKSA-N 426.511 4.113 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cccc(C)c3F)sc2C)s1 781645548 CXZZTXCRKJOKBP-UHFFFAOYSA-N 439.559 4.064 10 20 IICD COC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Cl 782793221 PFKZCPVFBNXKOK-UHFFFAOYSA-N 433.936 4.400 10 20 IICD Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1 782934646 UCUQQYUNTOTDQM-UHFFFAOYSA-N 445.880 4.413 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(N)cc1 783486573 OOFSSSKDYODEKV-LJQANCHMSA-N 439.519 4.247 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)C2CCCCC2)cc1 784061602 QIROZFJBZNNKAW-UHFFFAOYSA-N 437.931 4.412 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 788954860 MQODODSKUIFGSR-LJQANCHMSA-N 431.989 4.156 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](c1cncc(Br)c1)C1CC1 790671474 GYYFIKGFJOTSRU-FQEVSTJZSA-N 429.362 4.395 10 20 IICD Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccc1Br 791060160 OAPQJTHCEMITFQ-INIZCTEOSA-N 447.373 4.267 10 20 IICD CC[C@H](C)n1ncc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C 792475224 GRIUCAMIFDADLT-AWEZNQCLSA-N 439.482 4.340 10 20 IICD Cn1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)s2)cn1 800791318 LNBNRNVKVZWVKO-PXNMLYILSA-N 427.532 4.253 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 805297200 GHUVQRSGRDLEMU-IBGZPJMESA-N 426.561 4.399 10 20 IICD CSCc1cccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 807741257 KRXUXYQOIXRYKI-UHFFFAOYSA-N 426.582 4.233 10 20 IICD CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 807847731 HZJNVXQQKIAXER-SFHVURJKSA-N 446.389 4.235 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1 810042861 LKQZOFMUDVVLLH-UHFFFAOYSA-N 448.548 4.309 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 812034757 LVJKBEFYKFTFMW-HXUWFJFHSA-N 448.615 4.062 10 20 IICD COc1ccc(N2CCC(NCc3cnn(-c4ccc(Br)cc4)c3)CC2)cc1 812843711 SMWDMBYATLSVGK-UHFFFAOYSA-N 441.373 4.402 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)[C@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 814106019 NMFYSUOAIFVLFY-JEZSTIGHSA-N 432.561 4.067 10 20 IICD O=C1/C(=C/c2cc(Br)c3c(c2)OCCCO3)SC(=S)N1C1CCC1 814185930 RDMLIVRFSJNNOL-ZROIWOOFSA-N 426.357 4.364 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 817115670 WVNPGDNXSVZQFZ-UHFFFAOYSA-N 446.551 4.075 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CCSc3ccccc31)c2[N+](=O)[O-] 822250129 HLDKPNJBIAFHGV-GOSISDBHSA-N 444.468 4.337 10 20 IICD CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCc2ccccc21 916631876 LJZYUJYXXAJXIU-OAQYLSRUSA-N 433.474 4.371 10 20 IICD CCOc1ccccc1-c1nn(CN2CCCN(c3ccc(OC)cc3)CC2)c(=S)o1 917487387 JPVVCTRIHSPKQR-UHFFFAOYSA-N 440.569 4.450 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2F)C[C@@H](C)O1 917710693 DDUJARYGIJHQSK-OKILXGFUSA-N 427.432 4.024 10 20 IICD CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918048333 SFVZJRAALAPENY-ZIAGYGMSSA-N 448.926 4.373 10 20 IICD Cc1cc(C(=O)NCCc2cn3c(n2)CCCC3)c(C)n1-c1ccccc1Br 918062757 MSQNSCMYFCYJCN-UHFFFAOYSA-N 441.373 4.362 10 20 IICD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 921244709 MMEXOTUEFBDTAZ-PGRDOPGGSA-N 443.975 4.263 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1)c1cc(O)nc(O)c1 1788427754 MVZVNBYQTGXYMR-UHFFFAOYSA-N 437.883 4.208 10 20 IICD CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CCCC1 1823706058 HBMLSHMGIXAFFX-GFCCVEGCSA-N 449.960 4.014 10 20 IICD CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1847618343 PJBYCVHPUYJJIH-ZJOUEHCJSA-N 442.943 4.006 10 20 IICD COc1cc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC 302479323 XTOWBQXIGYUZPP-UHFFFAOYSA-N 442.299 4.254 10 20 IICD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 472801251 FTVMIMBSKMMFJY-UHFFFAOYSA-N 443.551 4.359 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 726707139 OETXKQCFEGJCNY-UHFFFAOYSA-N 434.544 4.067 10 20 IICD CSc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 727094622 SCQKSIQFDSRKDT-UVTDQMKNSA-N 435.621 4.485 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c([N+](=O)[O-])c1 727248335 ATVHZVPTGXARPY-UHFFFAOYSA-N 440.846 4.081 10 20 IICD COc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 728838915 AKANIVSUBHXKSX-UHFFFAOYSA-N 432.446 4.152 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 729064067 OGBJGHRJRKJSIL-AWEZNQCLSA-N 447.516 4.493 10 20 IICD CC(C)COc1ccccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 731329158 RKJVSSWGPQQBQN-UHFFFAOYSA-N 431.536 4.466 10 20 IICD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1F 731356820 URQITOJHOPIICB-UHFFFAOYSA-N 435.565 4.135 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 734524802 IIRRVHYVCNUJPX-UHFFFAOYSA-N 440.588 4.128 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCOc2cc(F)ccc21 735641574 OHOSNUURGYNWQT-SFQUDFHCSA-N 448.566 4.294 10 20 IICD CC(C)OCCCNC(=O)C1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 738077947 YORBOICSYDVJAO-UHFFFAOYSA-N 428.573 4.161 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](CN3CCCC3)C2)c(C)n1-c1ccc(Br)cc1 739789867 YLUNUVUMTSFSFU-SFHVURJKSA-N 430.390 4.415 10 20 IICD C[C@H](Oc1ccccc1F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749980 KTNHDANPFZJKIS-JXFKEZNVSA-N 445.535 4.041 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 743068396 IWOBLUHGODDXTO-UHFFFAOYSA-N 445.585 4.319 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 743142842 GNCALEDRUXVLKD-UHFFFAOYSA-N 430.306 4.302 10 20 IICD CCCc1c(C(=O)N(C)Cc2ccccc2O)nnn1Cc1cccc(Br)c1 743311097 CGZOULVLPKPSGX-UHFFFAOYSA-N 443.345 4.019 10 20 IICD CCCC[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)Nc1cc(C)on1 743485761 UVTXZNUFPCKFBU-VQIMIIECSA-N 436.503 4.340 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 745798241 XOBZYLXDUYGMNT-HXUWFJFHSA-N 432.609 4.320 10 20 IICD CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 746214864 BJTCSHVBLFLBTE-UHFFFAOYSA-N 439.453 4.413 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)c1 747799011 WKLQEMXICQNCPZ-QHCPKHFHSA-N 436.596 4.190 10 20 IICD Cc1oc2c(CN3CCN(Cc4cscn4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 748070729 XABRHKLTYSNSIW-UHFFFAOYSA-N 447.560 4.248 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)cc1 751125988 FILNDBREVQATOH-UHFFFAOYSA-N 429.548 4.174 10 20 IICD COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)n[nH]2)cc1OC 752086307 ILQSXGWNGNEZJB-UHFFFAOYSA-N 433.464 4.235 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1c(F)cc(F)cc1Br 753060921 JLRQGNJVFLSZML-UHFFFAOYSA-N 440.288 4.228 10 20 IICD Cc1cc(C(=O)Cn2nc(C(F)(F)F)ccc2=O)c(C)n1-c1ccc(OC(F)F)cc1 754729624 CQQIBMJXCFEZRP-UHFFFAOYSA-N 441.356 4.154 10 20 IICD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 755493626 PUGCYHGHKPUBCW-UHFFFAOYSA-N 447.447 4.082 10 20 IICD O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 756077718 SNNMBFPMGROWIK-AVRDEDQJSA-N 445.519 4.141 10 20 IICD CSc1nnc(CCCN[C@@H](C)c2ccc(Br)cc2O)n1CC(C)C 756572421 GJVBMCGZCPFFDU-ZDUSSCGKSA-N 427.412 4.408 10 20 IICD C[C@H](NC1CCN(Cc2ccc(Br)cc2)CC1)c1cc([N+](=O)[O-])ccc1O 756658080 GNURWOFNXIOZJJ-AWEZNQCLSA-N 434.334 4.378 10 20 IICD C[C@@H](NC[C@H](CO)Cc1ccco1)c1cc(Br)cc(Br)c1O 756662275 ZSOGJUPLGGXOOK-GHMZBOCLSA-N 433.140 4.012 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)OC)cc3)SC2=S)c1 758416939 UEOQYCPMIHIRML-YQNUULROSA-N 443.546 4.431 10 20 IICD Cn1ncc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1Br 759630602 CRFUJPRPMIIJCP-UHFFFAOYSA-N 442.273 4.394 10 20 IICD C[C@H]1CN(c2ccc(CN3C(=O)CN(Cc4ccc(Cl)cc4)C3=O)cc2F)C[C@@H](C)O1 761088177 AQIRVPPCDHOXKQ-IYBDPMFKSA-N 445.922 4.057 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccccc1Oc1ccccc1 765928293 XJKGHZSPKIOQJV-UHFFFAOYSA-N 441.281 4.202 10 20 IICD CC(=O)Nc1cccc(-n2cnn(CN3CCCc4cc(OC(F)F)ccc43)c2=S)c1 766351475 NYPQFCLKEAPXFH-UHFFFAOYSA-N 445.495 4.373 10 20 IICD Cc1nn(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1-c1ccccc1 766638748 WWENYJSFEIJLPK-UHFFFAOYSA-N 440.494 4.245 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)cc1Br 768342205 QUSKICCQJRBSMO-UHFFFAOYSA-N 435.337 4.096 10 20 IICD O=C(N[C@H](c1ccccc1)C1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769637939 YBGBOYKQCLHGHJ-HXUWFJFHSA-N 428.535 4.136 10 20 IICD COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)cc1 773025582 QNGZMYITXPQYSD-LJQANCHMSA-N 445.563 4.111 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1 774361523 GHPSUPONUQEXAV-UHFFFAOYSA-N 442.924 4.200 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Oc2ccccc2)c(F)c1 785424090 DULRBXBSXNWDRV-KRWDZBQOSA-N 435.499 4.178 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1Oc1ccncc1 787451995 FENPLWVRGYYKJK-UHFFFAOYSA-N 430.508 4.037 10 20 IICD COc1ccc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c(C)nc2c1 790157026 DRYJDQMNFNLQOT-HSZRJFAPSA-N 433.552 4.439 10 20 IICD CC(C)(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1 791155674 QCHNILWEEUUXEJ-ASNKMWSDSA-N 438.640 4.003 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)s1 797150511 OCUYTIMBAIPELA-BBBLOLIVSA-N 445.358 4.022 10 20 IICD O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 800047545 NHEQVHPWSCDVKR-UHFFFAOYSA-N 438.892 4.213 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1 800637060 SOMRSWZVALBOOS-INIZCTEOSA-N 444.963 4.013 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)C2CC2)c(OC)c1 802060235 GTTUVQJKYQATCH-INIZCTEOSA-N 429.536 4.419 10 20 IICD C[C@H](NC[C@@H](O)c1cccc(Br)c1)c1cc(Br)cc(F)c1O 802316099 JFRBMKIALIDIRV-BJOHPYRUSA-N 433.115 4.441 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](CC1CC1)c1ccccc1 806295809 UCOPFFXUERUNKL-IBGZPJMESA-N 445.357 4.161 10 20 IICD CC(=O)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1[C@H](C)c1ccccc1 808014473 KRVDWUXWUMJTSX-GFCCVEGCSA-N 445.338 4.019 10 20 IICD O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1)c1ccc(F)cc1 808114417 XICFHRHCIOPOQW-UHFFFAOYSA-N 438.839 4.377 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@](CO)(c2ccccc2)C1 813034790 YNFNYNOQLDOELY-VWLOTQADSA-N 428.492 4.203 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c(c1)OCCO2 913962232 LLUGCIKTFDTDLV-SFQUDFHCSA-N 446.575 4.139 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 915264858 ITNBLDGBGRGOLF-NRFANRHFSA-N 446.389 4.131 10 20 IICD CCN(CC)Cc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 916400557 GBBWHIMAMZACSE-QHCPKHFHSA-N 425.573 4.125 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1ccc(=O)n(C)c1 916438563 QBGKTQODWSNMOZ-LJQANCHMSA-N 429.442 4.311 10 20 IICD C[C@H]1CN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn34)cc2F)C[C@@H](C)O1 917087330 ZCVZPDKNLWOLSM-CALCHBBNSA-N 432.503 4.156 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(OCc2cccnc2)cc1 919895212 GWLNYBCYUZHFPS-UHFFFAOYSA-N 442.563 4.445 10 20 IICD O=C(COc1ccccc1-c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970427 BGLMBTXFLYQFIY-UHFFFAOYSA-N 434.511 4.149 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c(s1)-c1ccccc1OC2 919970759 XIAQKPCPAYOVNY-UHFFFAOYSA-N 438.524 4.338 10 20 IICD Cc1c(Cl)cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 921117599 UFNJPDVQETUGRN-OAHLLOKOSA-N 435.355 4.325 10 20 IICD Cc1noc(-c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)n1 1251501883 FFPBKEBCTJHBPB-UHFFFAOYSA-N 428.439 4.045 10 20 IICD COc1cccc2cc(CNC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)oc12 1318280213 GTPJUGVUHAYJMA-HOTGVXAUSA-N 441.503 4.194 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sc3ccccc3c2s1 1320692903 RJUARGLFOMBSHW-AWEZNQCLSA-N 441.530 4.431 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC(C)=O)c(OC)c3)SC2=S)cc1 1100184 UTCGHHQGBFYAJV-WQRHYEAKSA-N 445.518 4.044 10 20 IICD CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 111102422 QPLYMRQUAWJALE-JOCHJYFZSA-N 449.517 4.241 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1 116582441 UQDJBCTXCSPJTP-HXUWFJFHSA-N 438.959 4.413 10 20 IICD Cc1cc(C(=O)NCCCOC[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 302944589 KUSXPJQGDAOWNP-IBGZPJMESA-N 435.362 4.172 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1F 303297016 CFADRBGKLAUAKW-UHFFFAOYSA-N 440.563 4.084 10 20 IICD Cc1cc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c(C)n1-c1ccccn1 725727551 ZKGORUGXFGFAGG-FQEVSTJZSA-N 440.341 4.465 10 20 IICD CC(C)N(Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 726237256 WYRHUCDSBVBUSQ-UHFFFAOYSA-N 446.389 4.406 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cnnc4)cc3)c2C)cc1F 727517971 HOJCVKJGMUETQG-UHFFFAOYSA-N 432.455 4.162 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2Br)c1 728836253 XWRZXPXIMSIKSU-UHFFFAOYSA-N 438.325 4.193 10 20 IICD CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 729604509 BPOPTFRTZJUULW-FQEVSTJZSA-N 430.593 4.000 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)cc2)C1 729948373 ZNRJGKAWLMPQJN-HXUWFJFHSA-N 449.501 4.264 10 20 IICD Cc1ccc(Cc2nnc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)s2)cc1 731114304 NEJMQLSOGWEPAK-IBGZPJMESA-N 438.553 4.356 10 20 IICD COc1ccc(-c2n[nH]c(CNC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)n2)cc1 732454877 DWISRLOUVAVALK-UHFFFAOYSA-N 448.571 4.249 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](c3c(F)cccc3F)N(C)C)cc2)CC1 734668731 GQVWETOABXJYDE-JOCHJYFZSA-N 430.543 4.303 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl 736007882 XZWIZTSZEFWQPY-UHFFFAOYSA-N 433.961 4.123 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 738459941 IVJVDZGMSVPRAJ-GHTZIAJQSA-N 439.531 4.028 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3COc3ccccc3)c2)CC1 739766282 OMMQFHKARHOSMU-UHFFFAOYSA-N 429.520 4.220 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(c3cccc(Cl)c3)CC1)c2[N+](=O)[O-] 740809430 NPBJPURNAPBSRI-UHFFFAOYSA-N 446.846 4.443 10 20 IICD C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742597129 NLGJZSWTFXQYEQ-IIBYNOLFSA-N 429.536 4.410 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 743094071 HJNBTPFTSKQPPN-UHFFFAOYSA-N 428.554 4.309 10 20 IICD O=C(NCc1coc(-c2cccs2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743516592 IEDUFIYULJIMTK-CQSZACIVSA-N 448.495 4.473 10 20 IICD CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743529955 BTZXPOGJOCIVGF-HNAYVOBHSA-N 446.498 4.276 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1F 743597575 DSGCFROKOBITJN-AWEZNQCLSA-N 429.471 4.421 10 20 IICD Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)NCc2ccccc2O)cc1 748461412 XLYIEZNZTRABSI-UHFFFAOYSA-N 447.535 4.498 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(CCCN2CCCC2)CC1 752150795 UNBLEVCYXCYQJU-UHFFFAOYSA-N 430.662 4.037 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 755985928 PVUCYCFQIRLNIS-UHFFFAOYSA-N 429.292 4.296 10 20 IICD COc1ccc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cc1O 756525882 NZAACKJSRATMAO-VIFPVBQESA-N 431.124 4.482 10 20 IICD C[C@H](NCC1(c2ccc(Br)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1O 756526119 PVXHYXQKQHTWQA-AWEZNQCLSA-N 435.318 4.462 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2CCC(F)(F)F)C2CC2)cc1 757255831 KGYRERMQQTXZOL-UHFFFAOYSA-N 433.474 4.377 10 20 IICD COc1cc(Br)cc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1O 758578184 BHKJUPGVEHUDKG-TZIWHRDSSA-N 438.337 4.166 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(C(=O)NCCc2ccccc2)cc1 758587235 VVSUBIQWHXXHCO-UHFFFAOYSA-N 440.594 4.420 10 20 IICD CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 759568214 KUMYXYDUUSRXEP-OAQYLSRUSA-N 427.564 4.340 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(Br)c1 761341639 HQXTVSXLRBKFIY-UHFFFAOYSA-N 440.300 4.282 10 20 IICD C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)OC(C)(C)C 762783820 IAEARTDYHDDJGK-POKNLVKOSA-N 441.596 4.003 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2cc(F)c(Br)cc12 762791457 XLRQBACSFXNVNA-UHFFFAOYSA-N 431.309 4.004 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(N3N=C(Cc4ccccc4)CC3=O)cc2)cc1 763955024 TYKROZQFXHYDRJ-UHFFFAOYSA-N 426.520 4.018 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)n1 764527066 OCJINYFHVMJWNS-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CCn1c(-c2ccc(C)cc2)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S 764864230 IZFXBTJDZDWAEN-UHFFFAOYSA-N 437.613 4.336 10 20 IICD C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 765874100 FKRCMJNKZWUAHN-MZNJEOGPSA-N 425.548 4.300 10 20 IICD COc1ccc(N2CCC(NCc3ccc(N(C)C(=O)c4ccncc4)cc3)CC2)cc1 766073453 WFPAOUAAYCYHQW-UHFFFAOYSA-N 430.552 4.125 10 20 IICD O=C(COc1ccccc1NCc1cc(Br)ccc1O)Nc1cccnc1 767194730 MFIFVNGZRIEQKD-UHFFFAOYSA-N 428.286 4.179 10 20 IICD C[C@@H]1c2ccsc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769628823 SLQLXJTZYXDRLC-GFCCVEGCSA-N 434.564 4.076 10 20 IICD Cc1cc2c(F)c(OCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc2[nH]1 769842671 HDPKNISSRFYDER-HOTGVXAUSA-N 443.494 4.063 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 770809237 MCXSNAXYLCARBO-UHFFFAOYSA-N 441.495 4.305 10 20 IICD C[C@@H](NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)c1ccc(N2CCOCC2)cc1 772670628 BMFOMUJGEIFWEZ-OAHLLOKOSA-N 441.482 4.085 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(C)s3)n2)c(F)c1 773364306 FPYMPRURNCFSNQ-UHFFFAOYSA-N 425.532 4.387 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(N(C)C)cc1 773858916 SWRBTBDWWVSLIP-GOSISDBHSA-N 440.563 4.478 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(c4ccc(N(C)C)cc4)CC3)CC2)cc1 776130968 HCQJDDWQXUUBRB-UHFFFAOYSA-N 436.600 4.319 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCCc2cccc(O)c21 778951735 VKYYUHHQCALJGD-GHRIWEEISA-N 444.603 4.415 10 20 IICD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896942 RIAIACONGFUFKO-UHFFFAOYSA-N 431.876 4.254 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(OC)c(F)c3C)n2)c1 782927116 SMWQYRAVXOQSLG-UHFFFAOYSA-N 438.502 4.084 10 20 IICD CC(=O)N1CCN(c2cccc(NCc3ccc(OCc4ccccc4)cc3O)c2)CC1 783704620 ZQTRGYNXRRBAQR-UHFFFAOYSA-N 431.536 4.252 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1 784106306 KKWLMZZWRDSDRP-UHFFFAOYSA-N 437.931 4.270 10 20 IICD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 784649519 HGQDUXMXMVSRTC-UHFFFAOYSA-N 437.588 4.284 10 20 IICD O=C(NCc1c(Cl)cccc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O 787873755 FDNKPBBWQSSBKI-UHFFFAOYSA-N 433.291 4.137 10 20 IICD O=C(N[C@H]1CCSc2c(F)cccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O 788461087 SDAGNLLQTIMFGJ-IBGZPJMESA-N 440.496 4.006 10 20 IICD COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c(O)c1 794381426 NLANQZXXOAIKPL-CVDCTZTESA-N 436.533 4.181 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3NC3CCCCC3)cc2)C1 795000829 WNHSSLPNVRAPTN-FQEVSTJZSA-N 434.584 4.063 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cc2)C1 797434685 UTTXHSGJIFVMRX-GOSISDBHSA-N 449.486 4.110 10 20 IICD Cc1sc(Br)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C 799636634 LTQCDRBAGXMVNM-UHFFFAOYSA-N 437.403 4.266 10 20 IICD CC(C)(C)OC(=O)N1CCN(Cc2cccc(Br)c2O)[C@@H](c2ccncc2)C1 800541316 WZMZRNMNHIFNDE-GOSISDBHSA-N 448.361 4.344 10 20 IICD NC(=O)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1N1CCCCC1 802653054 WXFLRFWDYKOUML-UHFFFAOYSA-N 437.544 4.286 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 804683103 VNZZYZQBIUVYHC-HSZRJFAPSA-N 425.548 4.286 10 20 IICD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 805135057 FKWNDADVRUXOBT-UHFFFAOYSA-N 431.341 4.162 10 20 IICD CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCC(F)(F)CC1 806442140 BBPBVMLTALWDTC-UHFFFAOYSA-N 435.437 4.261 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 807192828 RFDMFHHQJPWVLQ-ZJSXRUAMSA-N 438.568 4.113 10 20 IICD C[C@H](Cc1ccc(F)cc1Br)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 808380918 IUENLFNXTGWOQK-CRAIPNDOSA-N 448.380 4.011 10 20 IICD CC(C)c1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n(-c2ccccc2)n1 810269525 HVZVVPBNCNFYPJ-UHFFFAOYSA-N 437.519 4.293 10 20 IICD COCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812087859 PALGKNDGPWONLQ-UHFFFAOYSA-N 447.539 4.063 10 20 IICD COc1cc(Br)cc(CN[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1O 813786805 RCRWLRIYTQYNQA-INIZCTEOSA-N 441.366 4.043 10 20 IICD Cc1cc(C(=O)N(C)Cc2nncn2C(C)C)c(C)n1-c1ccccc1Br 817062426 GUTRXAAAIPHYGX-UHFFFAOYSA-N 430.350 4.301 10 20 IICD C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1c(F)cccc1F 914491746 KZWSTVIRLBHJIH-LLVKDONJSA-N 436.370 4.139 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 916497857 ZGQCFQALYYSMBI-QGZVFWFLSA-N 438.597 4.149 10 20 IICD CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)c1C(F)(F)F 917311170 NEQCESLQHQQYSY-UHFFFAOYSA-N 447.413 4.046 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccn(C)c(=O)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 919267978 OGWQXQPURNDUBI-UHFFFAOYSA-N 433.291 4.139 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sc3cccc(F)c3c2C)cc1 1252821432 CLUASGMNAJBZOR-UHFFFAOYSA-N 442.559 4.301 10 20 IICD COc1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c(C(N)=O)cc1OC 1318159806 CMRRYPXRTHSUTE-UHFFFAOYSA-N 427.888 4.116 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl 1325762053 HJCPEXRIRBXECF-GKUQOKNUSA-N 438.307 4.099 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1)c1cc(O)nc(O)c1 1791535847 OPNNXYFQMUXSOV-RTWAWAEBSA-N 443.503 4.044 10 20 IICD COc1ccc(CN(C)c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1F 22011065 SSXBDPFGVAGHBW-UHFFFAOYSA-N 444.213 4.058 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2F)C[C@@H](C)O1 108448041 QSPBGDBMYIANEL-CEYNDMKZSA-N 448.542 4.423 10 20 IICD C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 109190900 HAQRIKZDCBKYFW-QGZVFWFLSA-N 435.549 4.328 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](CN3CCN(C)CC3)c3ccccc3)c2C)c1 110692537 VVQIGIOPVVSEMU-SANMLTNESA-N 430.596 4.121 10 20 IICD COc1ccc(Cl)cc1NCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 115302812 MFYIXABUCDFJLD-FQEVSTJZSA-N 431.964 4.034 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CCn3ccnc3)C3CCSCC3)ccc21 673471821 PAIURNZVVALHFX-UHFFFAOYSA-N 440.613 4.139 10 20 IICD Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCC3)c(C)c1 730178164 OWNJJABCPPHQPL-FQEVSTJZSA-N 444.579 4.305 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1F 731345684 FKITUEILKSNDTP-UHFFFAOYSA-N 440.544 4.240 10 20 IICD C[C@](O)(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)cc1F 734077285 MUKUOYVQRXGBFJ-QHCPKHFHSA-N 438.434 4.343 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)ccc1F 737379069 DCJQDPRTNWRKII-UHFFFAOYSA-N 425.894 4.362 10 20 IICD NC(=O)C1CCN(c2cccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)c2)CC1 740609177 GJYXMZVHSABXJJ-UHFFFAOYSA-N 449.532 4.089 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(F)cc1OCC1CC1 741072531 WOOCFXDHGBYBGW-UHFFFAOYSA-N 431.483 4.036 10 20 IICD CC(=O)NC[C@@H]1CCCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 742615573 OHEIESRSGAJTMG-MJGOQNOKSA-N 447.526 4.115 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl 742798357 MCKQSTIEQDZMJX-LBPRGKRZSA-N 425.819 4.248 10 20 IICD CCOc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 742987030 IDSDKIFKRZFHKB-UHFFFAOYSA-N 439.503 4.427 10 20 IICD Cc1nccn1C[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 745868146 YEVQKJDNALADJS-AWEZNQCLSA-N 429.362 4.428 10 20 IICD Cc1nnc(-c2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)o1 747572403 VMXQUZGPZRXSLF-KRWDZBQOSA-N 443.454 4.437 10 20 IICD CCOC(=O)c1sc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)nc1C 750674019 WBZDBFUPTUYSBS-UHFFFAOYSA-N 431.558 4.378 10 20 IICD CSCC[C@@H](N[C@H](C)c1cc(Br)cc(F)c1O)c1nnc2ccccn12 756365216 NYOWYQYCNCECJU-IAQYHMDHSA-N 439.354 4.482 10 20 IICD C[C@@H](NCCCNc1ccccn1)c1cc(Br)cc(Br)c1O 756641391 GQYODGHQQKJWPC-LLVKDONJSA-N 429.156 4.465 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3OCC(F)F)cc2F)C[C@H](C)O1 762220276 OOBZQRLDATVQSV-GJZGRUSLSA-N 437.462 4.405 10 20 IICD O=C(NCCCSc1nccs1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 763031010 YGVMUVADOPATEF-UHFFFAOYSA-N 430.643 4.323 10 20 IICD CC1(c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)OCCO1 767785575 XAEVYFQPFYVNJT-UHFFFAOYSA-N 431.554 4.135 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 769155181 OTRJJIIMGYOZJZ-HXUWFJFHSA-N 429.948 4.186 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(N(C)C)cc1 773847066 NCJSMWVUPWNALC-KRWDZBQOSA-N 442.519 4.301 10 20 IICD CC[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1O 775531750 CADBDFXCAWSEOV-KRWDZBQOSA-N 425.348 4.258 10 20 IICD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(Br)cc(C)c1O 775701006 AGTIRXDTPGSFLX-GOSISDBHSA-N 433.346 4.383 10 20 IICD Cc1nn2cc(S(=O)(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cnc2c1Cl 776081877 COKWWFBQAXJYPR-UHFFFAOYSA-N 445.913 4.362 10 20 IICD COc1cc(Br)cc(CN2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c1O 783593785 HBYNOFOMBKNQDR-HOTGVXAUSA-N 441.366 4.137 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl 785192726 ONNOCXRVKWPIET-UHFFFAOYSA-N 447.663 4.074 10 20 IICD CCC1(CC)Oc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2O1 787482448 RLLSINOIJQDMAY-UHFFFAOYSA-N 425.529 4.475 10 20 IICD CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 787869801 DHHZISPEOJVJQJ-IBGZPJMESA-N 425.573 4.154 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnc1Br 788444423 CMXZQFIQQACJAJ-UHFFFAOYSA-N 446.267 4.123 10 20 IICD CN(C)c1ccc(CN2CCn3c(CCc4ccccc4)nnc3C2)c(C(F)(F)F)c1 792830279 GNKDIQDZZZZPMF-UHFFFAOYSA-N 429.490 4.164 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(Br)n1)c1ccc(N)cc1 793039769 BPQFIWZSWFXNRN-CQSZACIVSA-N 439.313 4.159 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(Br)c1Cl 801944565 YUQJCTZBYQMYBI-UHFFFAOYSA-N 442.716 4.400 10 20 IICD CC(C)c1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 806008245 QYQWTHUBWJYSBW-HXUWFJFHSA-N 439.600 4.285 10 20 IICD CC[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(Cl)cc(Cl)c1O 806134596 ZYCFLGIPGMDHJM-KSSFIOAISA-N 439.339 4.064 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1csc(-c2ccccc2)n1 806846970 DQLHCRRCNJOTLL-UHFFFAOYSA-N 434.565 4.398 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 808094773 ZHGPIMNPYXHIOF-INIZCTEOSA-N 442.339 4.106 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)c2C)c1 811940248 TYUXDDGFEOTNKT-UHFFFAOYSA-N 427.451 4.398 10 20 IICD CN(C)c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(F)(F)F)c1 863986422 AXOATNRWLRBVQC-UHFFFAOYSA-N 427.492 4.168 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 918440381 QUWOXWYOUQQHCB-UHFFFAOYSA-N 445.544 4.394 10 20 IICD O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969506 ODQUNMCQCGDZDB-UHFFFAOYSA-N 448.538 4.209 10 20 IICD C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1116065453 ZEWRNYQUEILAFA-IBGZPJMESA-N 439.579 4.165 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)nc1-c1ccccc1 1321690994 UGLOYBLXXPPOME-UHFFFAOYSA-N 443.550 4.283 10 20 IICD CCOc1ccc(N2CCN(C(=O)CCC(=O)CCC(=O)c3ccc(C)s3)CC2)cc1 1324626894 KUTDTODLRSBIBD-UHFFFAOYSA-N 442.581 4.116 10 20 IICD CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1339200044 ZZRSQMLTGIVKPB-HNNXBMFYSA-N 435.519 4.119 10 20 IICD CCCCN(Cc1c(O)ccc2cc(Br)ccc12)[C@@H]1CCS(=O)(=O)C1 14261256 CXVIOWQZKCWAMO-MRXNPFEDSA-N 426.376 4.097 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCSc3ccccc3)cc2F)C[C@@H](C)O1 108440519 HDYWKALAUXTDCZ-HDICACEKSA-N 431.577 4.421 10 20 IICD COC(=O)c1sc2nc(C)nc(NC3CCN(c4ccc(OC)cc4)CC3)c2c1C 301148169 BSSMKMVTFRFWOX-UHFFFAOYSA-N 426.542 4.184 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(S(C)(=O)=O)cc(C)c3C)ccc21 484873181 MHBYUSBWIMHJLP-UHFFFAOYSA-N 428.554 4.177 10 20 IICD Cc1cc(-c2nc([C@@H]3CCN(C)c4ccccc43)no2)ccc1NC(=O)C1=S=CC=C1 547052708 GELUHQBKNCUYJU-GOSISDBHSA-N 430.533 4.233 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(NCc3cc(-c4ccccc4)ccc3O)CC2)cc1 725845119 MAAKIUJBTKUMDE-UHFFFAOYSA-N 436.577 4.311 10 20 IICD COCCCN1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 726984918 COQWHCSYSJPCIF-UHFFFAOYSA-N 448.405 4.087 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 728980243 YTOMYJXUSNYKLQ-INIZCTEOSA-N 440.521 4.001 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 729578215 LPXQLHIGXRQXFP-UHFFFAOYSA-N 432.524 4.489 10 20 IICD NC(=O)[C@@H]1CCCN(Cc2cccc(CNCc3cc(-c4ccccc4)ccc3O)c2)C1 731041112 SAURBHVJXOZPQH-XMMPIXPASA-N 429.564 4.046 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2I)cc1F 731346816 XDUJKYYZKGCBFQ-UHFFFAOYSA-N 444.263 4.346 10 20 IICD COc1cc(C)sc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 733842726 XLSDXTPWYASWQP-CYBMUJFWSA-N 449.484 4.025 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCS[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 735581880 KROWJAOJPVOYOD-PMAPCBKXSA-N 443.588 4.439 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl 741096978 HSHMZZPKTBNLBC-UHFFFAOYSA-N 427.932 4.006 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)CC2)cc1 741447677 XALRKYOVJFNVMT-UHFFFAOYSA-N 434.540 4.109 10 20 IICD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 741665455 MPLZLXVONKNQGT-UHFFFAOYSA-N 443.975 4.433 10 20 IICD CC(C)n1ncc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc21 746770723 RUHNJHFMGQJONS-UHFFFAOYSA-N 425.508 4.039 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2OC)c1 747476625 WUYMKMKCTYOFLG-OAHLLOKOSA-N 436.464 4.018 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(Br)ccc2F)cc1 748809540 XVXDQVVBUYPSOI-UHFFFAOYSA-N 427.339 4.008 10 20 IICD COc1ccc(O)c(CNC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 749573335 XCLILBWESUEUSE-UHFFFAOYSA-N 425.529 4.016 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 751412526 XSHAUMRCFDVZKQ-WTNDLDAUSA-N 446.623 4.206 10 20 IICD Cc1cc(CC(=O)N2CCC(OC[C@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1 751919503 ODWLDXAEYXXREO-IBGZPJMESA-N 430.976 4.334 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 753637324 QFHHCFINQZAWAV-CQSZACIVSA-N 435.505 4.141 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 759577614 CSCBIKHQFBFBRK-AUNFYEFLSA-N 436.291 4.325 10 20 IICD O=C(Nc1ccccc1O[C@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760062813 PPJZUXVDWIRRSH-LPHOPBHVSA-N 447.482 4.246 10 20 IICD CC(=O)OCCc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 764698120 HMCAELJFDUVPFD-LJQANCHMSA-N 447.482 4.184 10 20 IICD C[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccc(Br)c21 765255528 RAMIXIIHVASFAI-QLVMHMETSA-N 442.401 4.489 10 20 IICD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)c1 767888419 CPKFXZTXTGHANJ-UHFFFAOYSA-N 427.455 4.081 10 20 IICD COc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CCO2 767946564 GRWKUMFEJRFKTE-FQEVSTJZSA-N 447.482 4.088 10 20 IICD COCCCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 768204246 UINMJRZPGZRKPU-IBGZPJMESA-N 425.635 4.013 10 20 IICD CCCN(C(=O)NCc1ccc(N(C)C)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 769110979 YPCUEFDKGSZNBF-UHFFFAOYSA-N 432.609 4.382 10 20 IICD O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1)Nc1cccc(F)c1 769204846 ANAGVBMUNCQFQF-CYBMUJFWSA-N 436.871 4.127 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773844525 CKZVXGGTLATKGE-LJQANCHMSA-N 431.536 4.456 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 775490177 WIAWPAXXMSVNSY-UHFFFAOYSA-N 442.541 4.049 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 779337010 VDFUVMFPMUACID-DEOSSOPVSA-N 437.559 4.470 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cccc(N3CCCC3=O)c2)cc1 782348426 RATARLPEFWYBCY-UHFFFAOYSA-N 431.536 4.244 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1 782425205 UAYYROICQGPGPU-UHFFFAOYSA-N 449.555 4.215 10 20 IICD CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1 783934838 ZAQZZUMBOODDPR-SFHVURJKSA-N 436.531 4.292 10 20 IICD Cc1ccc(-n2nc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2C)cc1 784057661 AVEXOZDEPFCOMY-UHFFFAOYSA-N 431.540 4.376 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 785293201 DGVHWHAVGJJBCW-MRXNPFEDSA-N 442.581 4.350 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3coc(C4CCOCC4)n3)c2C)cc1F 786719801 CIYDLZRGPNBQAF-UHFFFAOYSA-N 440.471 4.463 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 790712141 BBQHLIJPKMEGKQ-IBGZPJMESA-N 443.613 4.277 10 20 IICD Cc1nc(SC(F)F)sc1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 793732009 SSXUAEWQSPPQJG-CQSZACIVSA-N 428.526 4.222 10 20 IICD C[C@H](NCCCCn1cc(Br)cn1)c1cc(Br)c(F)cc1O 794830141 ZIQAHCNNCXMCBG-JTQLQIEISA-N 435.135 4.384 10 20 IICD Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 794987547 PBBNSAYTOAUWOR-UHFFFAOYSA-N 443.906 4.334 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCCc2sccc21 798047940 XKKBVWDAGOYTAA-UHFFFAOYSA-N 434.564 4.299 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(Br)c(F)cc1O 798940064 QKZFPZYHGGWRHJ-HXPMCKFVSA-N 437.309 4.385 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)ccc1F 799187363 QCMXPVRXYABRFC-UHFFFAOYSA-N 431.514 4.252 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC 801728127 LLJHKZGOLSNPOJ-UHFFFAOYSA-N 438.528 4.488 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3C)SC2=S)cc1 806548497 FFXYYHWOBGTAGG-CPNJWEJPSA-N 429.563 4.465 10 20 IICD COc1ccc(C[C@](C)(O)CN[C@@H](C)c2cc(Br)cc(C)c2O)cc1OC 810255584 NPYAOCROGJXANW-QKKBWIMNSA-N 438.362 4.125 10 20 IICD C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 812861287 ONPZCEZADIDOKH-HNNXBMFYSA-N 436.493 4.464 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1-c1ccncc1 815400026 UPVDHJQMYLPVCU-UHFFFAOYSA-N 428.536 4.253 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 914577010 YVMYHSAGAKFZAE-UHFFFAOYSA-N 426.466 4.215 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 917524895 PWOOKTBXHSYUSO-UHFFFAOYSA-N 425.536 4.332 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(NC(=O)C2CCCCC2)c1 917709247 RSAJDQDXXSTNNK-UHFFFAOYSA-N 439.531 4.111 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 918134077 FSFSEVADHCLQEN-UHFFFAOYSA-N 434.540 4.007 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C[C@@H](c2ccccc2)O1 920238803 XXLMJVLSJSCNFG-FVJVTNMWSA-N 441.547 4.111 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(Cc4cccc(F)c4)n3)CC2)cc1 1254391696 UZZNQLSVZVYEAL-UHFFFAOYSA-N 425.529 4.234 10 20 IICD Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)C2 1317870266 QMTYGKXKPQCIKO-HXUWFJFHSA-N 436.499 4.184 10 20 IICD CN1CCCc2cc(CNC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)ccc21 1338262146 ZPCXHASRFNTCTH-UHFFFAOYSA-N 438.572 4.093 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@H]2CCOC2)cc1 1803352533 OJOVTFPMYMYRCI-INWJIATQSA-N 449.595 4.163 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(F)F)[nH]n2)cc1 1821158771 JBIGRQXXOUDDSP-IBGZPJMESA-N 441.482 4.388 10 20 IICD COc1cc2c(cc1NCC(=O)Nc1ccc(N3CCOCC3)cc1)oc1ccccc12 25892355 FSBGUVITECMHQS-UHFFFAOYSA-N 431.492 4.482 10 20 IICD Cc1[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)c1C(=O)OC(C)C 57512493 QUDFHSGGFPZYSY-NRFANRHFSA-N 441.572 4.084 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3nc4ccccc4s3)cc2F)C[C@H](C)O1 108169721 LAHSZXCEIKGIGN-GJZGRUSLSA-N 445.585 4.458 10 20 IICD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 108289077 KJLLFBNOADUUQQ-GOSISDBHSA-N 427.570 4.102 10 20 IICD COc1ccc2cc(CN(C)C(=O)CN(Cc3ccccc3O)C[C@H]3CCCO3)ccc2c1 302833694 PTJKLTIGCVOXSY-RUZDIDTESA-N 448.563 4.194 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)CC2)cc1 726560805 PQKNPQMGEWQHET-UHFFFAOYSA-N 431.577 4.008 10 20 IICD O=S(=O)(c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1)C(F)F 726594437 LGHLHTAMQGGYCX-UHFFFAOYSA-N 432.439 4.365 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OCC(F)F 726849756 WJWJBMHMFMYIAM-UHFFFAOYSA-N 433.499 4.169 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)CC2)cc1 727604927 YMAGLUONGKVNIX-QFIPXVFZSA-N 447.938 4.240 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc3c(nc2O)CCCC3=O)cc1 732115397 ZDYPVEJPSMMNRG-UHFFFAOYSA-N 445.519 4.228 10 20 IICD CN(C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1 733148064 UNVKPUYTLKLBKR-MOSHPQCFSA-N 441.409 4.414 10 20 IICD COc1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC(F)F 733334148 BPXNSRAYRQBKSI-KRWDZBQOSA-N 426.891 4.410 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 741091963 MBOSEVLRWCUJHI-UHFFFAOYSA-N 429.524 4.202 10 20 IICD CC(C)(C)c1nnc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 743117835 NKWURWPWFHPTPU-LBPRGKRZSA-N 425.505 4.228 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@H]1CCc2ccccc2C1 743286053 ZPPQPTSXGXHSAU-FNNTWHHHSA-N 436.602 4.282 10 20 IICD O=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743599473 DMQXIJKDOPKJOD-IRXDYDNUSA-N 431.483 4.122 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)Cc1ccc(Br)cc1 746401634 DVGAOBATSNSANP-UHFFFAOYSA-N 437.403 4.401 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1[N+](=O)[O-] 749010473 ONMQXFJJOLXQNV-UHFFFAOYSA-N 441.437 4.114 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1Cc1ccccc1 749405445 FBOLKRBQBJGIKF-UHFFFAOYSA-N 435.543 4.183 10 20 IICD Cc1cc(C)n(-c2ccc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2)n1 751406640 QVFQPJITQOSXLR-AREMUKBSSA-N 446.595 4.305 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)c2C)c1 752333574 OHULDLUTBJPHFQ-LJQANCHMSA-N 433.516 4.006 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3nc(Cc4ccccc4)no3)cc2)CC1 752969287 SAUPFZNTTGQBGR-IBGZPJMESA-N 433.556 4.457 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)CC2)cc1 754290811 ISARCRWTJDFHRJ-OFNKIYASSA-N 427.520 4.023 10 20 IICD C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)cc(F)c1O 756456633 ICARCYMPEOZIOU-GFCCVEGCSA-N 441.316 4.245 10 20 IICD CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@@H]1NC(=O)OC(C)(C)C 757375809 UWBHYIRFVBNMSB-QUCCMNQESA-N 426.561 4.255 10 20 IICD C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 757624857 ZDUXPRKXNJNFRF-JXXFODFXSA-N 425.495 4.405 10 20 IICD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1 759577857 DOGIYKYHRJPKPV-OQFOIZHKSA-N 428.441 4.135 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1cccc(OCc2ccccc2)c1 760775429 GBGXNYDYVYXCFA-SANMLTNESA-N 443.547 4.175 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1cccc(Cl)c1)N1CCCC1 761006957 XJJHDRCBFYJORT-LJQANCHMSA-N 448.350 4.300 10 20 IICD Cc1cc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1-c1ccccc1 762533493 DDGKXMPUEYUPMX-UHFFFAOYSA-N 433.527 4.366 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)c(O)c(Br)c2)c1 764157506 PABLNGYWERMORT-MRVPVSSYSA-N 445.107 4.122 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)ccc21 767676335 REMAKYBNBNMCEQ-UHFFFAOYSA-N 441.534 4.027 10 20 IICD O=C(NCc1ccc2c(n1)CCCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 770495951 QUNMLIOSHRRKRD-UHFFFAOYSA-N 430.499 4.030 10 20 IICD CCc1nc(-c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)n[nH]1 770954478 KBEBIHVSIOMGPU-UHFFFAOYSA-N 441.482 4.034 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSCc1ccc(Br)cc1 771201552 KKYXSZGMELJGOG-UHFFFAOYSA-N 449.414 4.178 10 20 IICD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 773752197 WSKLLPNZUNMCQQ-CQSZACIVSA-N 438.436 4.168 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(N(C)C)cc1 776236621 AEFCZPUAISUVAL-IBGZPJMESA-N 430.552 4.134 10 20 IICD C[C@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccc(F)cc1 776253648 NCKNVIFPIUVBAT-INIZCTEOSA-N 433.115 4.054 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3scnc3C(=O)OC)n2)cc1 777665589 LUNKVYRHYHFUNY-UHFFFAOYSA-N 437.568 4.197 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 778919452 DTWULKGJRXJJTM-FQEVSTJZSA-N 446.272 4.436 10 20 IICD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 780276099 CJQMMRSTLUQGQH-NWDGAFQWSA-N 446.381 4.173 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)cc1F 780692278 OIPUNQNWSQKDFH-UHFFFAOYSA-N 429.826 4.443 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 790787842 OTHBGWSPYMJJCB-BGFJZZDESA-N 437.323 4.104 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 791249559 HUMIFZOOEPLESW-KRWDZBQOSA-N 444.959 4.280 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 807193704 GVFOIFIJVXKZTF-HOYKHHGWSA-N 437.559 4.214 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1 808919860 LYKJMJOMDFGGER-UHFFFAOYSA-N 444.535 4.461 10 20 IICD COc1cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc(OC)c1O 809635463 HXPLUVFGEISDHI-UHFFFAOYSA-N 428.529 4.387 10 20 IICD CC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C(F)(F)F)cc1O 810238669 SAIZZPZZULHEFN-GDBMZVCRSA-N 431.252 4.441 10 20 IICD O=C(NCCO)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1Cl 811838389 GQEJYGGGCVTNFT-UHFFFAOYSA-N 435.955 4.237 10 20 IICD OCC1CCN(c2ccc(CNCc3c(F)ccc(C4OCCO4)c3Cl)cc2)CC1 812825837 NPENWWWXDJOKOE-UHFFFAOYSA-N 434.939 4.023 10 20 IICD O=C(NCCSc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 918192661 MGFWVHVPOMIDMS-UHFFFAOYSA-N 434.005 4.140 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)F 918209987 YOGNNBOFYJWTEL-SFHVURJKSA-N 437.462 4.214 10 20 IICD CN(Cc1c(O)ccc2ccc(O)c(CN(C)C[C@H]3CCCCO3)c12)C[C@@H]1CCCCO1 918733407 ZVGDPRTUNATRQR-OYRHEFFESA-N 442.600 4.253 10 20 IICD Cc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c(C)n1-c1ccccn1 920296405 MPHZYEHHOMPTDZ-FQEVSTJZSA-N 440.341 4.465 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](Cc4nccn4C)C3)cc2Cl)C1 1322674118 GZNCLSNEKAYGLB-QUCCMNQESA-N 444.023 4.474 10 20 IICD Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c1F 1785944708 WRUSFXZNINRNPM-UHFFFAOYSA-N 435.455 4.002 10 20 IICD CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1816760652 MGBVCDPFOXFLTH-OAHLLOKOSA-N 434.924 4.216 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 301375474 XEODCBFJUWJRES-UHFFFAOYSA-N 429.446 4.030 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2nc3c4c(ccc3s2)CCCC4)n(C)c2ccccc12 472797793 VMDBEUUKFBQIPH-UHFFFAOYSA-N 432.549 4.230 10 20 IICD Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 725736061 PZSVOBRJJXNTSH-IEBWSBKVSA-N 426.561 4.255 10 20 IICD CN(C)C(=O)C[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccccc1 726241026 SRVAMSNQWVUERR-XMMPIXPASA-N 436.600 4.474 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 726722373 QTFWTUADBHUJBA-NRFANRHFSA-N 449.473 4.179 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)cn1 726985498 AZJISXWTNJBTQE-PBXDPIQXSA-N 428.535 4.054 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3-c3nc(C(C)(C)C)no3)CC2)cc1 727708347 PCBIQSJULWSKMJ-UHFFFAOYSA-N 434.540 4.395 10 20 IICD O=C(CCCc1nc(-c2cccs2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731858750 MXKCPRXMYKVFTR-KRWDZBQOSA-N 427.526 4.034 10 20 IICD Cc1cc(C(=O)NCC[S@@](=O)C(C)(C)C)c(C)n1-c1ccccc1Br 732768400 NUUYKKSHEMJJPJ-RUZDIDTESA-N 425.392 4.134 10 20 IICD Cc1noc(C)c1[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 733764777 PFIDPKDFLHQYDD-MKVLZVNKSA-N 435.596 4.212 10 20 IICD C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 733847273 ZASHKMQMWJEZME-IRLDBZIGSA-N 430.662 4.036 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 734064299 BRDWEUAIZUXOFH-UHFFFAOYSA-N 428.492 4.253 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(OC(F)F)c1 734147206 MMMXMXQDPQDPQO-ZROIWOOFSA-N 431.482 4.143 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(-c4nccc(C)n4)cc3)cc2F)CC1 734655964 QJNKMHVJBKCFDL-UHFFFAOYSA-N 448.546 4.055 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 736986266 KUVOVZYFAAWWHS-IYBDPMFKSA-N 439.491 4.119 10 20 IICD Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 737512119 NWUKZCOVCMNZAP-HUUCEWRRSA-N 441.478 4.472 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCC(O)CC4)cc3)c2C)c1 740963400 WCFYAQRXSIXLHC-UHFFFAOYSA-N 446.547 4.403 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(Br)cc(Cl)c3O)CC2)cc1 741447063 NJOGFVMTYRBMNZ-UHFFFAOYSA-N 439.737 4.216 10 20 IICD CC[C@](C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc(C)cs1 741615559 LTCRMKLTBUPVOQ-QHCPKHFHSA-N 449.488 4.190 10 20 IICD Cc1nc(-c2cccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)cs1 743312393 GLBTVOAMNLHCNM-UHFFFAOYSA-N 425.529 4.149 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 743554515 HACKGXWJBBPQLO-XYJFISCASA-N 425.495 4.310 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1c2ccccc2CCN1C(C)=O 743809432 VXDUIXGGXAWUIV-FQEVSTJZSA-N 445.357 4.039 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)c2C)c1 744647637 MQHVFEJJOMSZAW-LJQANCHMSA-N 429.460 4.245 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(-c2nc(C3CC3)no2)c1 746743209 BVLHZIRPTNLGGT-UHFFFAOYSA-N 433.512 4.081 10 20 IICD COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754534585 ALQTXNGSZCZMNS-AWEZNQCLSA-N 445.496 4.368 10 20 IICD C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O 756758065 DSSWJMUSWBIMJQ-PRHODGIISA-N 429.664 4.012 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 757843577 VAODASBFWXRXCO-UHFFFAOYSA-N 442.519 4.048 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 758417310 UYOXTJITOZLYRH-VBKFSLOCSA-N 429.567 4.236 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)cc2)CC1 760035239 SORSEOXZOCVQCE-UHFFFAOYSA-N 441.539 4.374 10 20 IICD C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761005915 QPBFWDMGKIMYLR-NSHDSACASA-N 428.794 4.470 10 20 IICD Cc1cc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(C)n1-c1cccc(Cl)c1 762247435 RTBPVUWILHDKEP-UHFFFAOYSA-N 443.035 4.378 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc(N2CCOCC2)cc1 762277230 XJERYNFVPKDEQV-OAQYLSRUSA-N 437.584 4.101 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)c(Br)c1 765242926 IQRKXTTXFAIMRG-WMLDXEAASA-N 434.353 4.141 10 20 IICD Fc1cc(CN[C@@H]2CCSc3ccccc32)ccc1N1CCN(c2ncccn2)CC1 765282650 WTIUKYGJUVRRNL-OAQYLSRUSA-N 435.572 4.269 10 20 IICD O=C(NCCCSc1nccs1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765537041 UHRJYTXKTVYVTC-UHFFFAOYSA-N 445.532 4.337 10 20 IICD Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(-c2cccs2)n1 769551496 MLTCIWKNAMKHFD-OQLLNIDSSA-N 427.532 4.253 10 20 IICD CN1CCC(N2CCC(NC(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)CC1 772693154 WPSBMWFEJBNKHN-UHFFFAOYSA-N 448.615 4.456 10 20 IICD CN(C)c1ccc([C@H](CNCc2occc2Br)NC(=O)OC(C)(C)C)cc1 773408865 JTYAJEZMGXMFKN-KRWDZBQOSA-N 438.366 4.464 10 20 IICD COc1cc(-c2nc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cs2)ccc1O 775258567 DZTRRJJSZWSTNH-INIZCTEOSA-N 425.554 4.212 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CNCc3cccc(Cl)c3O)c2)cc1 776175753 ZVEBEACPKRUTNV-UHFFFAOYSA-N 432.929 4.145 10 20 IICD Fc1cc(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)ccc1N1CCOCC1 779018702 BRONASFUJQXNCA-FGZHOGPDSA-N 449.364 4.435 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1 779460822 HLSUHVXQFPSSDN-UHFFFAOYSA-N 437.544 4.117 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCC(F)(F)CC1 788986886 GVNVGKTYOWWOOK-KRWDZBQOSA-N 433.522 4.246 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1 794949292 MLUNNGDJWKAFNC-CQSZACIVSA-N 437.462 4.065 10 20 IICD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C2 796502772 KAORDKFSGZFVHQ-SFTDATJTSA-N 429.649 4.160 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)CCNC4=O)c3C)c2C)cc1 800634180 ZIKISPXXPWIOSZ-UHFFFAOYSA-N 446.507 4.110 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CSc1nnc(C)n1-c1ccccc1OC 801546329 MZMQNDYQOIJBQT-UHFFFAOYSA-N 440.569 4.211 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)SC2=S)c1 839446807 JCEUSOPVSPKYRS-LCYFTJDESA-N 445.012 4.058 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 915831586 KJCVPTNPXQSVNZ-UHFFFAOYSA-N 440.569 4.344 10 20 IICD Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(C)n(-c3cccc(Br)c3)c1C)C2 918047903 ILDFYBZZRUABCC-SFHVURJKSA-N 439.357 4.242 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)n1-c1ccccn1 918141693 ZCOAKOWEPZGULO-HDICACEKSA-N 436.531 4.172 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1)c1cc(O)nc(O)c1 1791535848 OPNNXYFQMUXSOV-SFTDATJTSA-N 443.503 4.044 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(C)n1-c1ccccn1 303530884 RRKQIIICXQKZAN-KRWDZBQOSA-N 439.357 4.260 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H](c2ccccc2)CC1 727601735 UYZASERWXCLCDD-NRFANRHFSA-N 425.548 4.266 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3c(F)cccc3F)ccc21 728637046 HHUVAVNIMKBPBI-OAHLLOKOSA-N 430.451 4.367 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 728835922 PFFQHQIKMLOUOW-UHFFFAOYSA-N 442.563 4.027 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2F)CC1 730133540 YHZQIBNMXCWWFH-UHFFFAOYSA-N 444.982 4.495 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)c1 734702780 DRXBIBUSSROHFP-UHFFFAOYSA-N 433.508 4.117 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(SC)cc1OC 741243899 ATVKXXOBMBSDCD-MHWRWJLKSA-N 441.596 4.272 10 20 IICD CN(C)c1ccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1F 742383065 RZNKVRMIIOOPBS-QHCPKHFHSA-N 430.520 4.314 10 20 IICD CCOC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742805045 FBARMADGNGFLIH-KRWDZBQOSA-N 433.455 4.255 10 20 IICD O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743181530 OYGRNHQZMUIMNH-DYESRHJHSA-N 447.482 4.246 10 20 IICD CN(c1ccc(CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1)C1CCCCC1 743346664 KLRVCRPHQXBMNU-UHFFFAOYSA-N 434.584 4.123 10 20 IICD CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744473166 AKYBLLSIKIAEED-HNNXBMFYSA-N 427.456 4.208 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1)c1ccccc1 745788215 NGXZBGFTPHQNJC-JOCHJYFZSA-N 449.595 4.255 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 746173840 WQZMPVGMQIMFEB-UHFFFAOYSA-N 449.942 4.303 10 20 IICD CN(C)c1cccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 748290151 OUJPVGBYDDCUJO-AQTBWJFISA-N 445.635 4.112 10 20 IICD O=S(=O)(c1cc(F)ccc1Br)N(Cc1ccccc1O)C1CCCC1 751355521 FNFJLNSBQFYFBW-UHFFFAOYSA-N 428.323 4.427 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCCC[C@@H]1C 751945516 RCAZADCZVICMKE-KLHJMIIUSA-N 429.586 4.192 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(F)cc3F)n2)c(F)c1 753155632 PTOLUOWLJKNZTB-UHFFFAOYSA-N 441.456 4.295 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnn(-c2ccc(Br)cc2)c1 768208589 UXSUTAIXSJYEND-UHFFFAOYSA-N 441.373 4.103 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCC[C@H]2c2ccc(F)cc2F)c1 769844853 CXPMZKCVXIVELA-DEOSSOPVSA-N 444.522 4.432 10 20 IICD C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(Cc2ccccc2O)CC1 770508633 COONKZFAOCBJQU-HNNXBMFYSA-N 432.446 4.340 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc2c(cc1Br)CCC2 772541495 AOWXMEBPKKYGAP-UHFFFAOYSA-N 430.346 4.096 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 778535579 OWEDHJMQDXXQDH-UHFFFAOYSA-N 429.948 4.325 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 782688482 YNIICEKVDOLOLZ-UHFFFAOYSA-N 446.617 4.272 10 20 IICD COC[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C[C@H](C)O1 783969781 XKORXTKWWUSTJQ-HOCLYGCPSA-N 443.927 4.363 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCCCO[C@H]3CCC[C@@H](C)C3)cc2)CC1 786261860 GSNIMVFNTSQUIE-BWKNWUBXSA-N 443.632 4.127 10 20 IICD CN1CCC(n2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)n2)CC1 786699353 MNMCIUQANIMZMZ-UHFFFAOYSA-N 436.560 4.043 10 20 IICD CCCCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 789861056 PLENFWOQMIZQBD-HSZRJFAPSA-N 439.625 4.294 10 20 IICD CCC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1 792066055 IATCAOSWNVGBII-FGZHOGPDSA-N 447.526 4.458 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCc4cc(Br)ccc43)cc2)C1 794795893 JLKGGVWAEHBEFJ-AVRDEDQJSA-N 442.401 4.318 10 20 IICD O=C(c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1)N1CCOCC1 795799440 YRTVXBMMLRLLQJ-UHFFFAOYSA-N 427.548 4.334 10 20 IICD Cc1cc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc1Br 796274855 CNGKUVKMJMQOKM-ZBFHGGJFSA-N 436.419 4.372 10 20 IICD CN(C[C@@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1)S(C)(=O)=O 806102054 ZMGWMLKAYHKFAT-KRWDZBQOSA-N 429.546 4.237 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cccc(-c2ccccn2)c1 807694225 DVWRTTCQPPLBBS-UHFFFAOYSA-N 442.563 4.014 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CCC[C@@H]5CCCC[C@@H]54)n3)CC2)cc1 809464629 JFKLIWLACCJFHB-YUXAGFNASA-N 438.572 4.043 10 20 IICD COc1cc(O)c(CNC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1OC 809693805 DRBINMWRFFCBEW-LJQANCHMSA-N 428.529 4.034 10 20 IICD COc1cc(O)c(CN(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1OC 809728062 JBKQEVYKGQHBEB-UHFFFAOYSA-N 433.911 4.491 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2ccc(Cl)cc2)c1 914567013 QYNQAFYHMBLNHW-QHCPKHFHSA-N 428.960 4.418 10 20 IICD O=C(NCc1ccnc(N2CCCC2)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915755887 HSENUPPVKVTHNG-UHFFFAOYSA-N 428.496 4.352 10 20 IICD Cc1ccccc1[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917069666 DTGNLFHUYDVPAL-ROKPMTFOSA-N 439.575 4.201 10 20 IICD O=C(CCCNC(=O)NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cl)cc1 918095839 IXLBTWXPHJIOTE-UHFFFAOYSA-N 447.004 4.111 10 20 IICD CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918218332 VUYZKFNLAXCXEL-UHFFFAOYSA-N 426.319 4.311 10 20 IICD Cc1cc(-c2nnc([C@@H](C)NS(=O)(=O)c3cccs3)o2)c(C)n1-c1ccccc1 1257652119 IEWWKBVTFKAIQN-CQSZACIVSA-N 428.539 4.245 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 1320671074 RHIBHLVQMYRALG-VGSWGCGISA-N 449.503 4.142 10 20 IICD C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccccc1 1791337614 QMQWMLPQXSXEDB-KRWDZBQOSA-N 445.519 4.434 10 20 IICD Cc1oc(CO)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 10725064 DGTUTPQTAJBMPN-UHFFFAOYSA-N 433.407 4.129 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1C 18215376 CFQFJEHFHFLQFY-UHFFFAOYSA-N 437.565 4.100 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-n4ccnc4)cc3)SC2=S)cc1 28963806 XVGZJRNNZUISDE-CPNJWEJPSA-N 435.530 4.455 10 20 IICD CCOc1ccc(C(=O)CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726565937 IJNZVFUHNKAYHJ-UHFFFAOYSA-N 446.494 4.435 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 726847989 QKHJHXDIBUXGGM-AWEZNQCLSA-N 426.542 4.333 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2C2OCCO2)c(C)n1-c1cccc(Br)c1 726945164 LWRYCJINVGSZIU-LJQANCHMSA-N 433.346 4.224 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccn(C)n3)n2)c(C)n1CCc1ccccc1 727245978 DWCRUOFNLXEDOR-UHFFFAOYSA-N 441.582 4.005 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C/C3=S=C(c4ccccc4)N=C3)nc(O)c2c1C 727264642 UORTTZBFQMEKLB-JYRVWZFOSA-N 443.937 4.240 10 20 IICD CCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)cc1 731048268 GADKDHHCIMTFOU-UHFFFAOYSA-N 448.611 4.153 10 20 IICD CCN(CC)Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731131538 MKFFMOMCNFPTBF-UHFFFAOYSA-N 436.600 4.020 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(F)cc1F 732525053 CXORRABEZAHLAE-UHFFFAOYSA-N 444.868 4.329 10 20 IICD C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 733644950 HHIOWSVRAHFJKO-RUZDIDTESA-N 425.548 4.050 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 734687558 IMXNJRWZELEEAC-UHFFFAOYSA-N 449.382 4.035 10 20 IICD CN(c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1)C1CCCCC1 742637050 GJBZYOZESRCGMF-UHFFFAOYSA-N 441.597 4.061 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnc(OCC(F)(F)F)c1 742806230 QQVNCYGJSWQOTC-CQSZACIVSA-N 445.388 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(F)c(COC)c1 745809269 ROQRRPBKIMIKOL-UHFFFAOYSA-N 425.298 4.172 10 20 IICD C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)N(C)Cc1ccccc1O 746363830 KJQDNOPNRWZOFX-CYBMUJFWSA-N 447.322 4.102 10 20 IICD COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 746760699 ZJBTXJXTMQXNNG-XMMPIXPASA-N 439.600 4.491 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccncc3)cc2)C2CC2)cc1 747995368 RQEBWJPPOLRDTO-UHFFFAOYSA-N 430.508 4.070 10 20 IICD C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(F)cc1F 751059192 WYGRBPFYBGZAQC-NSHDSACASA-N 438.477 4.024 10 20 IICD CCc1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1-c1ccccc1Cl 751305996 NNGYKGHRDBGWIR-UHFFFAOYSA-N 443.898 4.445 10 20 IICD CC[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)CCO1 752846026 RAYNBTGVYGNPCP-RBBKRZOGSA-N 435.572 4.004 10 20 IICD C[C@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 753930229 MMIFRWLLMFJSJU-SFHVURJKSA-N 436.581 4.250 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1F 754939741 WNPPFGQWBHEART-UHFFFAOYSA-N 436.487 4.114 10 20 IICD C[C@H](O)C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 759583061 HVWIZRIIDUVKAZ-SXLOBPIMSA-N 447.526 4.111 10 20 IICD COc1cc(N2CCN([C@H](C)C(=O)Nc3cccc4ccccc34)CC2)cc(OC)c1OC 759885620 DWBOYPBQRSNFTF-GOSISDBHSA-N 449.551 4.015 10 20 IICD CC[C@@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(Cl)cc1 760094482 DDDBALIDYXZUJN-LJQANCHMSA-N 447.963 4.349 10 20 IICD COc1cc(Cl)c(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1Cl 761218800 JGMDLXPDCJKNGU-UHFFFAOYSA-N 441.355 4.350 10 20 IICD Cc1ccc2c(c1)[C@H](NC(=O)CCCN1C(=O)/C(=C\c3cccs3)SC1=S)CO2 763755572 OXWWEYUHITVCLE-YCPFAOKUSA-N 444.603 4.288 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1)C1CCCCC1 764234198 DXOLIQNLCVKFRD-UHFFFAOYSA-N 427.570 4.107 10 20 IICD Cc1cc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)s1 765278746 BDRVMKXDPADIEH-QGZVFWFLSA-N 425.577 4.471 10 20 IICD COc1cccc(NC(=O)C[C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 765645914 XNVKHOCGSHVBDE-MRXNPFEDSA-N 433.499 4.272 10 20 IICD COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c1 765871059 CLVLHEPKVWERHR-IBGZPJMESA-N 425.573 4.447 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1 769008862 OJIMDEJBXGSMEL-UHFFFAOYSA-N 432.450 4.454 10 20 IICD C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770382449 TXBIFNZOHLUVKP-HKUYNNGSSA-N 432.565 4.463 10 20 IICD CN(Cc1cccc(N(C)C)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770400078 NFJRQPVPBOYYTD-SFHVURJKSA-N 432.515 4.164 10 20 IICD C[C@H](NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)cc(F)c1O 774397216 RKEWISDGRYEASL-GXSJLCMTSA-N 436.243 4.213 10 20 IICD Cc1cc(Br)cc(CN(C)CC(=O)Nc2ccccc2Br)c1O 775643836 VJAPNURHAHKDCD-UHFFFAOYSA-N 442.151 4.296 10 20 IICD O=C(O)c1csc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776743448 IJXSZJDCRLAYMI-UHFFFAOYSA-N 432.504 4.229 10 20 IICD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccccc3SC(C)C)CC2)cc1 778328007 IXWFVGPCQKHMHK-OUKQBFOZSA-N 439.581 4.039 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1O 779014989 ZJXBIOPBBRBUQW-CQSZACIVSA-N 441.391 4.001 10 20 IICD CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O 779612459 ZPIOHIVCVNIJLH-HSZRJFAPSA-N 437.515 4.169 10 20 IICD COCCO[C@@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 780490055 RBCQKYCUVWXRNG-MRXNPFEDSA-N 443.927 4.365 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)c2)CC1 781271302 JVRWRGOECPEWJB-UHFFFAOYSA-N 430.552 4.323 10 20 IICD Cc1[nH]nc(C(F)F)c1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 781356683 DOGCGOUBFBWTMT-DHZHZOJOSA-N 442.538 4.337 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(F)cc2Cl)cc1 782429271 ZEYXNYKYMOMREK-UHFFFAOYSA-N 429.879 4.306 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 785295387 UKJHEVLVVLNJIT-CQSZACIVSA-N 440.883 4.229 10 20 IICD Cc1nn(-c2ccccn2)c(Cl)c1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 796265854 MOBZSPMPFVHDBK-HZPDHXFCSA-N 443.954 4.272 10 20 IICD COc1ccccc1-n1nccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 797465200 MSSWTQOOPAGOPQ-UHFFFAOYSA-N 446.473 4.026 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 801631935 CUZQUUMXWRVURX-UHFFFAOYSA-N 425.938 4.251 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1CCC(F)(F)F 807512609 ADGUINPTJAEEIZ-UHFFFAOYSA-N 435.229 4.449 10 20 IICD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1O 807837718 BOIMTYXNMQKWLX-UHFFFAOYSA-N 444.322 4.156 10 20 IICD CCc1cnccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807955015 KVEJHOLATZWNKO-IAGOWNOFSA-N 442.991 4.027 10 20 IICD COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 915082702 UIMALJFSMQUEPI-UHFFFAOYSA-N 429.520 4.478 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(NC(=O)C4CC4)cc3)cc2F)C[C@H](C)O1 916673457 IGZJTUHYIICTIZ-HOTGVXAUSA-N 440.519 4.110 10 20 IICD CCOc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1OC 916686870 UZGLNRAZXBNBRV-HZPDHXFCSA-N 431.508 4.168 10 20 IICD O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N(Cc1ccco1)Cc1ccccc1O 917361335 DAHWZFNSKQNQSF-UHFFFAOYSA-N 443.503 4.264 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cccc4cccnc34)cc2F)C[C@@H](C)O1 918199568 HXQNMAZGUSSXAQ-QZTJIDSGSA-N 436.531 4.029 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1OC1CCCC1 919970137 QKGXWLDSTJIANN-UHFFFAOYSA-N 438.568 4.155 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 920233555 FALQHOFRHFTSKM-UHFFFAOYSA-N 442.535 4.156 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc3nc(C)oc3c2)nc1-c1ccccc1 1343470046 GGIGKWOUZKTSQJ-UHFFFAOYSA-N 428.495 4.019 10 20 IICD O=C(CCC1CCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815051828 XFSBJAMDHYHFFN-KRWDZBQOSA-N 446.935 4.361 10 20 IICD CSc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 216343320 KXEZRCNJLIAMEY-IBGZPJMESA-N 429.542 4.204 10 20 IICD CCc1ccccc1NC(=O)CNC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 216485341 ZORHOGQSGCFFNW-FQEVSTJZSA-N 445.563 4.273 10 20 IICD O=c1c(Cl)c(NCc2ccc(N3CCSCC3)cc2)cnn1Cc1ccccc1 301055806 AEFDRPGDTWXZNP-UHFFFAOYSA-N 426.973 4.110 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)n(C)c2ccccc12 472796627 VEGYUDIOKVRMAJ-UHFFFAOYSA-N 434.721 4.158 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1coc(-c2ccc(Br)cc2F)n1 489824510 CZVZKRAJBPFLER-UHFFFAOYSA-N 446.276 4.348 10 20 IICD Cc1ccc2c(c1)N(C(=O)Cc1c(C(=O)N3CCc4ccc(C)cc43)c(C)cn1C)CC2 683836409 JAMYVYOANWJICN-UHFFFAOYSA-N 427.548 4.285 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cn1 726197284 PEBHDZMRAOWXKR-MFOYZWKCSA-N 426.479 4.477 10 20 IICD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 726595096 UGONKGAIXILDPT-UHFFFAOYSA-N 446.454 4.169 10 20 IICD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 726621403 SZLDJBQXEPEXMU-LJQANCHMSA-N 428.964 4.027 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 726722376 QTFWTUADBHUJBA-OAQYLSRUSA-N 449.473 4.179 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c([N+](=O)[O-])c1 727246598 NUPLTNNHYAGQPS-UHFFFAOYSA-N 446.422 4.174 10 20 IICD O=C(CCc1nc2cc(Cl)ccc2s1)NCc1ccc(N2CCOCC2)c(F)c1 730482474 RDXXNKXMXHVVRD-UHFFFAOYSA-N 433.936 4.174 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1F 731373288 JBDCOWQKDHCTFR-UHFFFAOYSA-N 442.560 4.120 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 734670138 FJVDZRWSCPFAME-HXUWFJFHSA-N 434.506 4.154 10 20 IICD CCn1c(C)cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1C 742748999 CKKYTDJZRNWKEN-OAQYLSRUSA-N 428.577 4.187 10 20 IICD COc1ccccc1C[C@H](C)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 743555339 WEFDVUOARBOASR-IPMKNSEASA-N 443.563 4.221 10 20 IICD Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2cccnc2c1C 743889678 RQENAICAZCUWKP-UHFFFAOYSA-N 430.552 4.439 10 20 IICD CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 746365035 HIPMRDZKUVSYPY-IBGZPJMESA-N 425.577 4.078 10 20 IICD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc2c(c1)CCCN2C 746812141 XYHMRSPFHURILH-AHRSHGDUSA-N 437.628 4.042 10 20 IICD CC(C)(C)[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1cccs1 751936534 JKAMEBPOIOLMFU-HXUWFJFHSA-N 443.594 4.438 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](OCCCc2ccccc2)C1 752005882 WTIFYWMHNBGDCX-DEOSSOPVSA-N 439.625 4.173 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)cc1 752190010 FYPRTARAXSWIBQ-UHFFFAOYSA-N 431.520 4.007 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1Br 755983856 PZSHQWMQZDLGFL-UHFFFAOYSA-N 442.331 4.174 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc(Cl)nc2)NC(=O)OC(C)(C)C)cc1 759188021 SHGXIBHPKVHDSU-INWINEHPSA-N 444.963 4.196 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)C[C@H](C)O1 761904008 PBXPKOALYGAKHK-STQMWFEESA-N 426.414 4.175 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3nccc4ccccc34)cc2F)C[C@H](C)O1 764925321 NAVQULXZOFECGA-IRXDYDNUSA-N 439.556 4.396 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2C2CCCC2)NC(=O)OC(C)(C)C)cc1 765684467 OUWAETCTCNCSDP-HXUWFJFHSA-N 441.576 4.060 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl 768175152 RXPAOSYUZPMMBY-UHFFFAOYSA-N 437.323 4.231 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3c(SC)cnn3-c3ccccc3)CC2)cc1F 768997897 GISBISBYNNYCIQ-UHFFFAOYSA-N 441.532 4.096 10 20 IICD CCOC(=O)c1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)o2)cc1 775950231 KGVJGXVRFSUEPI-UHFFFAOYSA-N 438.499 4.389 10 20 IICD CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)cc1 777367926 YEDZTPYSYXURNZ-UHFFFAOYSA-N 429.542 4.254 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3OC)n2)c1 783832783 WXGHBILVABWAKY-UHFFFAOYSA-N 440.930 4.290 10 20 IICD COc1ccc(-c2noc([C@@H](C)OC(=O)c3csc(Cc4ccc(N)cc4)n3)n2)cc1 784671303 LBJZIOWAYOJTED-CYBMUJFWSA-N 436.493 4.293 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800494283 VRFWFEGRSBJCRI-SJORKVTESA-N 436.021 4.335 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1C 800635978 COLPEKXXGAZFSQ-OAHLLOKOSA-N 441.959 4.342 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(F)c(F)c3)cc2Cl)C1 800636251 IBPLLSFEOVMHBP-LBPRGKRZSA-N 439.865 4.249 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCOC4(CCOCC4)CC3)cc2Cl)C1 800719456 KWVCRZPMRIIVSY-SFHVURJKSA-N 435.996 4.057 10 20 IICD Cc1c(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1Cc1ccccc1F 801806690 OVHAZFDKJRETKI-UHFFFAOYSA-N 436.535 4.428 10 20 IICD CC(C)C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 807292399 PXYNUTCSJTXNRK-QFIPXVFZSA-N 425.960 4.236 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 812558607 JGVXRXJVUCHKOF-QHCPKHFHSA-N 444.579 4.248 10 20 IICD CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1c1cccnc1 813662514 YJPWYARZXWRFIH-XLIONFOSSA-N 430.499 4.445 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(O)n2)c(C)n1-c1ccc(OC(F)(F)F)cc1 814473546 MPFYXAVUTDDIOT-UHFFFAOYSA-N 434.370 4.133 10 20 IICD C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 857758282 BZMDNMGAEZECQX-IBGZPJMESA-N 442.629 4.166 10 20 IICD COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 916110608 XDZPBACTGGAAIL-UHFFFAOYSA-N 432.479 4.481 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 916224683 PCWBBFUSCONFNZ-HSZRJFAPSA-N 435.547 4.481 10 20 IICD CCCOc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 916393831 OLFRTGQZNZBYAE-UHFFFAOYSA-N 429.586 4.037 10 20 IICD CC(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C 916677426 PUGKCCFVFHNMOS-GASCZTMLSA-N 428.508 4.028 10 20 IICD Cc1cccc(C)c1OC[C@@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 920319479 CIHSKRQJQBYXLY-QFIPXVFZSA-N 446.507 4.213 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 920867129 NZZRKHSSSGQQMX-NHCUHLMSSA-N 436.600 4.191 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 921239721 YBXABLFSZIDMFT-INIZCTEOSA-N 433.936 4.085 10 20 IICD Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cnc21 1324184921 NRGKWVRNZGYKTG-UHFFFAOYSA-N 446.366 4.261 10 20 IICD CCN(C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1nc2ccccc2s1 96971084 WDFBETPANVXBPW-GOSISDBHSA-N 425.554 4.036 10 20 IICD CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1 108808299 JBDWQBUJNPKRHK-UHFFFAOYSA-N 437.565 4.284 10 20 IICD COc1ccc(-c2nc(CC(=O)NCc3ccc4c(c3)CCCN4C)cs2)cc1OC 109460266 LUSCDFHWYZSLSH-UHFFFAOYSA-N 437.565 4.069 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 109570084 URFHEALAXJYDNQ-SFTDATJTSA-N 429.358 4.048 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1sc2ccccc2c1Cl 216410832 ZRUFFNKQRSZZOG-UHFFFAOYSA-N 429.973 4.399 10 20 IICD COc1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)ccc1OCC(N)=O 237294295 RMWBNBKVQLSCOD-UHFFFAOYSA-N 428.573 4.150 10 20 IICD O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C\c1cn(Cc2cccnc2)nn1 544047238 ZSSHKAPQUQFWMQ-WOJGMQOQSA-N 438.516 4.104 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 726086354 KJRYRHQUUXCPBS-XMMPIXPASA-N 449.551 4.079 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726097404 KCCFKVNZBJOWMQ-UYAOXDASSA-N 430.593 4.122 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(Br)s3)CC2)cc1 726715662 VOORDEHAYMNIJR-UHFFFAOYSA-N 438.391 4.330 10 20 IICD O=C1/C(=C\c2cccc3cccnc23)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801750 MPEPLHUKUVMMRM-XSFVSMFZSA-N 434.542 4.450 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1Cl 726984867 BCJVIALPZOCEPL-REZTVBANSA-N 446.916 4.474 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1Cl 726985873 RDDJVZCCJUCXFN-CXUHLZMHSA-N 439.967 4.158 10 20 IICD CC(C)(C)OC(=O)N(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 727605896 GLDVMAVQYYLMMP-UHFFFAOYSA-N 429.517 4.097 10 20 IICD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccc(OC)c2O)c1 727761175 MJTJBNBZGWNAOW-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)cc1)C1CCCCC1 734525594 YQNHDUJZFXDEHE-UHFFFAOYSA-N 448.611 4.184 10 20 IICD CC[C@@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 741800472 MRUVRJDKPCKMLX-MZKRTTBSSA-N 441.591 4.009 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 742040735 DJCPUBDKDSNRNB-JOCHJYFZSA-N 425.960 4.342 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)cc1 743889823 APAXDDQALBWCBZ-UHFFFAOYSA-N 436.325 4.032 10 20 IICD O=C1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1c1ccccc1F 745816163 BGFFARLMEBJIGT-FQEVSTJZSA-N 425.504 4.181 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCN(CC(C)C)C1 746328638 OOLKHSIEJXYZFA-MRXNPFEDSA-N 426.399 4.054 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nnc(C(C)C)o3)c2C)cc1F 747067481 CEJWBNCCIPCCMB-UHFFFAOYSA-N 427.476 4.407 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 748856327 KESOLIFRTMYXFK-UHFFFAOYSA-N 427.298 4.376 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)c2C)c1 749341142 XCJAPAPQULYPJH-UHFFFAOYSA-N 429.517 4.474 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4ccccc43)cc2F)C[C@@H](C)O1 749931455 NDBZOXBAUFDZGX-LLGFUMIMSA-N 427.520 4.152 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 750307916 NICCHQCGAQFPDS-UHFFFAOYSA-N 444.535 4.439 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 751302569 NQBSBINSUWVJBD-UHFFFAOYSA-N 428.452 4.157 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1[N+](=O)[O-] 759160552 QAZRSYCNSQIUFJ-UHFFFAOYSA-N 431.495 4.016 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 764894874 MIWVJWAWYWODDY-UHFFFAOYSA-N 437.931 4.111 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)NCc1cccc(Br)c1O 765259836 YOXCAWNHWUWHGQ-UHFFFAOYSA-N 429.698 4.155 10 20 IICD CCO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 770261836 KTLPQIKIAZZQTD-IUKKYPGJSA-N 429.536 4.016 10 20 IICD CO[C@@H](C)c1nc(CN2CCCN(Cc3cc(Br)ccc3O)CC2)cs1 770288416 KUWSNZDKLTXRQU-AWEZNQCLSA-N 440.407 4.027 10 20 IICD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccccc1O 772460576 VNYNOBPRVKFXDA-SFHVURJKSA-N 446.569 4.257 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)c1ccc(N)cc1 773655811 RTPCZZCSOUPKLM-CQSZACIVSA-N 428.414 4.416 10 20 IICD COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 775372478 BWDDUHGXLPWSLY-LSDHHAIUSA-N 439.537 4.392 10 20 IICD COc1cccc([C@@H]2[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC(=O)N2C2CC2)c1 776469557 PVFHLJLRCAOSQC-AZGAKELHSA-N 447.579 4.054 10 20 IICD O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 776743392 HECMOKBVTVKLIN-UHFFFAOYSA-N 440.502 4.097 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccc(Cl)cc1 778391974 HIHVWJRDXRGKAH-FQEVSTJZSA-N 425.916 4.361 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1O 779040932 PZZHNTHRAFYZQU-OAHLLOKOSA-N 446.389 4.334 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780935839 MBBNHKJIVSZNRO-UHFFFAOYSA-N 434.442 4.474 10 20 IICD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 780959293 OUOFGDPDBWKJIA-LJQANCHMSA-N 428.488 4.208 10 20 IICD Cc1nnc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)c2)o1 783484689 FZXFMSKHCNRZJI-MRXNPFEDSA-N 441.491 4.360 10 20 IICD COc1ccc([C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C(C)C)cc1 785542220 DYNSCYZIBMBSEI-XMMPIXPASA-N 437.584 4.061 10 20 IICD C[C@@H](Cc1ccccc1)NC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 786063921 WJDAGVIBTPLELU-INIZCTEOSA-N 437.531 4.137 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1F 789271606 UGVNUIIMIICNRT-UHFFFAOYSA-N 439.539 4.267 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1cccc(Br)c1 796180961 KXBDSMWPNXDPTB-UHFFFAOYSA-N 442.313 4.005 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)c(O)c1 797390538 ISGWNQUQLVWOGR-UHFFFAOYSA-N 436.533 4.089 10 20 IICD CSc1ccc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 799199275 VIOMMVGRNFDWFN-KZNAEPCWSA-N 445.604 4.128 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(-n4cncn4)c3)cc2Cl)C1 799930270 OKCHJSSQWFHFGH-QGZVFWFLSA-N 438.963 4.156 10 20 IICD COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636165 HBMWTOFRCWDBFZ-INIZCTEOSA-N 429.948 4.148 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 801548130 OBYCQLRLIWQACO-KRWDZBQOSA-N 442.560 4.282 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 802609991 PMOGIWGOULEDSK-UHFFFAOYSA-N 427.520 4.289 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 806998724 QLNAHOGTQNNQPK-UHFFFAOYSA-N 440.544 4.391 10 20 IICD COc1ccc(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1 807453692 CZWHRHBGJMKDNA-HXUWFJFHSA-N 428.529 4.309 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)n2)cc1 812317461 HEDRTQRYNPIIBD-UHFFFAOYSA-N 448.469 4.478 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)cc1 819056885 HQPRTYNNUUMZFB-UHFFFAOYSA-N 438.549 4.299 10 20 IICD CCN(CC)Cc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916215703 YAVGWOUQVQONOT-UHFFFAOYSA-N 426.630 4.081 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(Cc4ccccc4)n3)cc2F)C[C@@H](C)O1 916711742 ZTUWVYKSTSUNBW-HDICACEKSA-N 437.519 4.006 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)cc3)cc2F)C[C@@H](C)O1 917710658 CMFRZCUUKDGBIN-HUUCEWRRSA-N 440.437 4.310 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1c2ccccc2Oc2ccccc21 1116669045 DENLSNHMUKUQSD-FQEVSTJZSA-N 447.487 4.016 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(-c4ccc5c(c4)CCO5)cc3)cc2F)CC1 1318340232 LDHHDFDEUVUEEZ-UHFFFAOYSA-N 431.555 4.469 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccnc(OC2CCC2)c1 1339549305 OPJNCHTXXKAMNR-UHFFFAOYSA-N 425.529 4.015 10 20 IICD Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c(C)c1 1803567637 WMMJXRGRTBVFNW-BCDXTJNWSA-N 442.943 4.242 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 18554040 JECLPBAZWFMCCW-UHFFFAOYSA-N 448.495 4.155 10 20 IICD COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 58585185 JKKLYEMCBUCDEV-UHFFFAOYSA-N 441.553 4.126 10 20 IICD Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2F)cc1Br 155783893 VQBWICURQQYRET-UHFFFAOYSA-N 439.100 4.166 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1 302991694 GARMYAHFYFZDOB-UHFFFAOYSA-N 433.577 4.464 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)c(C)o1 727402949 NKEBPNIEXULGSM-UHFFFAOYSA-N 425.554 4.400 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)c1 728982738 PVOWHQOOKBFXRI-CQSZACIVSA-N 443.507 4.207 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1 729061762 KFYDLVCXSJCIQN-CYBMUJFWSA-N 426.419 4.162 10 20 IICD CCn1c(S)nnc1[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 730091421 QUCKJGKMEZYQKB-INIZCTEOSA-N 427.549 4.153 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 730906560 CWLWEBRUIDXANW-SANMLTNESA-N 445.563 4.485 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 731346644 NMFCVKYKWGSBEV-UUOWRZLLSA-N 439.575 4.288 10 20 IICD COc1ccc(C2(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)cc1 731756473 LJMPWVPCVPYDRG-UHFFFAOYSA-N 449.473 4.039 10 20 IICD Cc1ccc(C)n1-c1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)no2)cc1 731786100 NDAZIMKJHYOVRX-UHFFFAOYSA-N 430.464 4.097 10 20 IICD Fc1ccc(CN2CCC[C@@H](NCc3ccc(N4CCOCC4)c(F)c3)C2)c(Cl)c1 732229824 JDAIISSRDWUEGC-HXUWFJFHSA-N 435.946 4.209 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1 732448494 JOTJWZFGOVUSBH-XMMPIXPASA-N 428.621 4.246 10 20 IICD O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 735927187 OFXLPEVLEKUOMM-HXUWFJFHSA-N 436.483 4.206 10 20 IICD Cc1cccc(C(C)(C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 736045136 STSRAFZXKDPDLJ-UHFFFAOYSA-N 428.444 4.344 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)n2)cc1 737382948 WDBHCVQGAQJDMO-UHFFFAOYSA-N 437.543 4.430 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 738299695 QFRMFBRQHMXELS-XMMPIXPASA-N 439.600 4.346 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)c(C)c1 741136584 FOIVPAJNZYPTFB-UHFFFAOYSA-N 443.550 4.493 10 20 IICD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 741709631 ONRWXTCUDRCVQI-KRWDZBQOSA-N 426.517 4.053 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cc1 742755941 ZVDZICYNEUXJBX-NRFANRHFSA-N 437.540 4.424 10 20 IICD CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 745651652 BCCOKSRFCUGOSA-XMMPIXPASA-N 427.564 4.101 10 20 IICD CCOC(=O)[C@@]1(CCSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)CCCC1=O 746139726 BSVBIHOROKWRLM-HSZRJFAPSA-N 444.553 4.126 10 20 IICD Cc1cc(-c2csc(NC(=O)C[C@@H]3C=CS(=O)(=O)C3)n2)c(C)n1-c1ccc(F)cc1 746150192 RXSUVNYYPNRTJW-HNNXBMFYSA-N 445.541 4.244 10 20 IICD CCN(Cc1ccccc1Br)C(=O)NCc1ccc(N2CCOCC2)cc1 746213906 BTICGOOGVSVGET-UHFFFAOYSA-N 432.362 4.017 10 20 IICD CN(C)CCCOC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 748961346 UXSQKUJEVIPKRT-UHFFFAOYSA-N 430.637 4.098 10 20 IICD CCOc1ccc(Cl)cc1CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 756055620 WVZFOQBVTFJCJK-QGZVFWFLSA-N 431.964 4.178 10 20 IICD C[C@@H](NCc1ccc2c(c1)OCO2)c1cc(Br)cc(Br)c1O 756342551 KPSAPVQHZRTGHD-SECBINFHSA-N 429.108 4.497 10 20 IICD C[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)cc(Br)c1O 756581913 DTNLJNXLUPXDSQ-GVXVVHGQSA-N 448.199 4.215 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ncc(Cl)s1 756952228 OFDXHGIYHXGQSK-JXMROGBWSA-N 430.001 4.478 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC([C@@H](O)c4nccn4C)CC3)c2C)c1 760875840 OONXPXUOKGSVEI-RUZDIDTESA-N 434.584 4.073 10 20 IICD Cc1cc(C(=O)COC(=O)C2(O)CCSCC2)c(C)n1-c1cccc(C(F)(F)F)c1 765416540 PCFUHCQCBYSPPV-UHFFFAOYSA-N 441.471 4.097 10 20 IICD Cc1cc(C(=O)[C@@H](C)N(C)CCc2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1 771460430 LDHCAWIAJILBOQ-QGZVFWFLSA-N 428.483 4.231 10 20 IICD CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 781117398 KPINCSWVVSVMTD-UHFFFAOYSA-N 444.579 4.319 10 20 IICD O=C(NC[C@@H]1CCCCN1C(=O)NCCCSc1nccs1)Nc1ccccc1 782730922 ABMJLOBSRQYVHS-KRWDZBQOSA-N 433.603 4.011 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)cc1OCc1ccccc1 785993255 AEIKQTVYMSDNTD-UHFFFAOYSA-N 448.519 4.357 10 20 IICD C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 786927748 QLESQVUPRNKZEG-ZDUSSCGKSA-N 427.398 4.440 10 20 IICD COc1ccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(O)c1 792792180 KGQUCABCISPJOW-UHFFFAOYSA-N 428.492 4.253 10 20 IICD CC(C)(C)Oc1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 793816918 NMLAPMJKXSNQEW-UHFFFAOYSA-N 436.508 4.008 10 20 IICD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(N2CCCC2)c1 795557609 MFPHKCGZANXILW-UHFFFAOYSA-N 429.325 4.181 10 20 IICD CCc1c(NC(=O)NCc2ccc(OC)cc2O)cnn1-c1cccc(C(F)(F)F)c1 797650176 INQHZHDUYHQXIW-UHFFFAOYSA-N 434.418 4.489 10 20 IICD Cc1nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1I 799102727 OSGPJOKTQXWVCX-UHFFFAOYSA-N 432.265 4.049 10 20 IICD CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cccs1 802696651 OFBDNLVKLYNOSW-UHFFFAOYSA-N 425.602 4.059 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1C 806259886 CYLPZCFSUQVORQ-UHFFFAOYSA-N 446.356 4.481 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2nccnc2c1Br 806674284 KSGDIQNOOQCOEN-UHFFFAOYSA-N 427.302 4.298 10 20 IICD COc1cccc(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O 806763747 XVYXTMFJSMDJHC-FQEVSTJZSA-N 428.529 4.309 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 807689588 IJXXIUMIYGHIHR-LJQANCHMSA-N 428.504 4.079 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)SC1=S 810200617 YNARHPITIMJGAV-GDNBJRDFSA-N 434.520 4.389 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cccc(OC)c1F 819518849 HYMJYXGKRCHTDF-UHFFFAOYSA-N 430.520 4.156 10 20 IICD CCOC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 823331371 OKYKAWSWKVFXQP-UHFFFAOYSA-N 433.346 4.272 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)CC2)cc1 915808283 YJUDROFZTANOCU-UHFFFAOYSA-N 447.583 4.343 10 20 IICD Cc1cccc(C2(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CCCCC2)c1 917837538 XXEDNSWSQXLGEE-JOCHJYFZSA-N 433.596 4.215 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2ccc(Br)cc2)CC1 919969478 ZUVKMNQWZVXBAK-UHFFFAOYSA-N 443.385 4.006 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2nnc3n2CCCCC3)c1 1252120840 CIFKCTGEWIEVCE-UHFFFAOYSA-N 425.964 4.428 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790777020 GUKYAYRFHCXLAT-SFHVURJKSA-N 446.956 4.395 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)cc(=O)oc3C)c2C)c1 26012698 UJESOFKASRGPMP-UHFFFAOYSA-N 425.506 4.426 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=O)NCc2c(C)c3ccccc3n2C)ccn1 467962887 JEGAXBXEHHRTNF-UHFFFAOYSA-N 443.507 4.355 10 20 IICD CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC 726626786 FXCVINRPGKMOGE-UYRXBGFRSA-N 442.562 4.379 10 20 IICD CCOc1ccc(OCC)c(NC(=S)N2CCCN(c3ccc(OC)cc3)CC2)c1 726903731 RGLWQQQIKSARGV-UHFFFAOYSA-N 429.586 4.402 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccccc3Cl)sc2C)s1 727249128 OFZAIXNFBXPJPO-UHFFFAOYSA-N 441.987 4.270 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C(=O)N(C)C)c3)c2C)cc1F 728644397 PRRXHGVDWGSSOA-UHFFFAOYSA-N 436.483 4.283 10 20 IICD COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1 728788419 MMSDHHDVLIJKCT-UHFFFAOYSA-N 433.537 4.362 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2)CC1 731049153 NKSCYIDWZLJVOW-UHFFFAOYSA-N 429.568 4.377 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(Cc2ccccc2F)s1 731115628 IJOHOZWKLLFCHA-UHFFFAOYSA-N 443.573 4.143 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1F 731363606 JWWALNULMATFEJ-UHFFFAOYSA-N 428.430 4.007 10 20 IICD O=C(OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)c1cc(O)cs1 732354916 WETLWLIKRZLIMZ-MRXNPFEDSA-N 436.445 4.328 10 20 IICD COc1ccc(O)c(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)c1 734016772 DXDYKRUFDYLKRP-UHFFFAOYSA-N 429.476 4.192 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3OC(C)(C)C)CC2)cc1 734654412 WBTVZLMOOABQLO-UHFFFAOYSA-N 440.588 4.206 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 735438715 CBSUUZGIEGLSID-UHFFFAOYSA-N 429.826 4.448 10 20 IICD COCCCOc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743119231 FKBWFYOMYCKJKD-KRWDZBQOSA-N 449.498 4.494 10 20 IICD COc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cn2)cc1 743196741 UKNNQZRRIJSGOU-UHFFFAOYSA-N 434.496 4.041 10 20 IICD Cc1cc(C)c(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)c(C)c1 743432135 DCPMIZIUFLISAS-NRFANRHFSA-N 432.520 4.492 10 20 IICD C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2ccc(Cl)cc2)no1 743706750 OOLDKKINXJFMTJ-AWEZNQCLSA-N 425.920 4.333 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](C)c1ccccc1 746953007 TYBUMXOPRPTWOR-OFNKIYASSA-N 436.600 4.461 10 20 IICD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)o1 750828531 YGXYQXIFCBBIMK-QHCPKHFHSA-N 431.452 4.409 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)ccc21 752314508 BBYKJMQSZLGOMI-LPHOPBHVSA-N 443.588 4.280 10 20 IICD Cc1ccc(NC(=O)CSCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 754550968 HKLWZGFNTBGPNT-UHFFFAOYSA-N 444.512 4.081 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@@H](C)[C@@H]2CCCOC2)sc(C)c1-c1ccccc1 754570895 UJLOAKPWSQZWDI-MAUKXSAKSA-N 430.570 4.243 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 756693880 SIZQUUNDKSLRAA-HUUCEWRRSA-N 431.499 4.193 10 20 IICD COc1cc(Br)cc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1O 758578178 BHKJUPGVEHUDKG-PZJWPPBQSA-N 438.337 4.166 10 20 IICD COc1cc(N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc(OC)c1OC 759222208 IXILDOQHMKRMSL-UHFFFAOYSA-N 443.302 4.121 10 20 IICD COc1cc(N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)cc(OC)c1OC 761220216 WQWBGHDMJPMASY-UHFFFAOYSA-N 434.536 4.407 10 20 IICD COc1ccc(N2CCC(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 765127759 QJGUZMASGONMNE-KDURUIRLSA-N 427.564 4.207 10 20 IICD OCC1CCN(c2ccc(CNC3CCN(Cc4ccccc4Cl)CC3)cc2)CC1 765287637 RCDXTVNSNYGXKP-UHFFFAOYSA-N 428.020 4.303 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 765659954 PGDLSWXTRYMWAY-ZWKOTPCHSA-N 433.593 4.478 10 20 IICD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(N2CCOCC2)c(F)c1 769007911 LUCNLPSANVUGNM-UHFFFAOYSA-N 426.511 4.256 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(OC(F)F)cn2)cc1 775219638 JFPDXIBRJVKGTM-UHFFFAOYSA-N 430.455 4.254 10 20 IICD Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 779202514 BVVXPXYFVXESMK-WZUFQYTHSA-N 432.727 4.381 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccc(Br)cc1 782863365 WWYARGSAGGNEOU-QGZVFWFLSA-N 433.346 4.272 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl 784025356 ADNDJTOIZMQNST-UHFFFAOYSA-N 443.700 4.325 10 20 IICD COc1ccc(Oc2ccc(CNCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)cc1 784517670 RZOQCXHHHSRUDO-QFIPXVFZSA-N 445.563 4.479 10 20 IICD CC(C)(C)C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 788236370 USBKZMRKRQLFBQ-VXKWHMMOSA-N 438.568 4.194 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(O)ccc3C(F)(F)F)cc2F)C[C@@H](C)O1 788648262 VWBKQVQLCIAQBC-BETUJISGSA-N 426.410 4.094 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)sc2C1 789747834 MGSOFTGWTALWRK-MRXNPFEDSA-N 428.602 4.100 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1ccc(N2CCOCC2)c(F)c1 789891310 VHUHIDIOSDLULK-SFHVURJKSA-N 425.548 4.455 10 20 IICD CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C 792922609 ZQSILBSUIXWTJY-FQEVSTJZSA-N 437.506 4.479 10 20 IICD O=S1(=O)CCCN1c1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 796355558 GSTNALIWBCRBQI-UHFFFAOYSA-N 447.604 4.079 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3csc(-c4cnccn4)n3)cc2Cl)C1 800050382 UWOZTMNIAPHIMJ-AWEZNQCLSA-N 427.961 4.420 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccn3)cc2Cl)C1 800571086 FBUQTVQFJZRYGT-MBSDFSHPSA-N 426.992 4.252 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ncoc1-c1ccc(OC)cc1 809702240 RAMVAQNXDMJUOK-UHFFFAOYSA-N 431.286 4.481 10 20 IICD C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccsc2S1(=O)=O 812652562 HUECFNCQYQHFJF-JXFKEZNVSA-N 447.626 4.187 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(NC(C)=O)cc3)SC2=S)cc1 814273825 CXIBCIVBCRBFPQ-LDADJPATSA-N 426.519 4.228 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(F)c1Br 814620775 GUEILEXSIUVTIB-UHFFFAOYSA-N 432.337 4.373 10 20 IICD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc(C)n(-c3cccc(Cl)c3)c1C)C2 818956632 HCJSYDXAQITEQY-PMACEKPBSA-N 429.992 4.461 10 20 IICD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1O 877856739 UVIQVPPDVKFBIJ-GOSISDBHSA-N 435.883 4.276 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1 916662816 LGYBHGWLEIWFRA-HKWRFOASSA-N 426.563 4.328 10 20 IICD CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 916679961 APPVQQACZCQQJR-IYBDPMFKSA-N 444.507 4.329 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3c(F)cc(F)cc3F)cc2F)C[C@@H](C)O1 917443104 PLMHTCGPFJWSRP-BETUJISGSA-N 442.478 4.265 10 20 IICD COC(=O)CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 917844998 LRNUMJOUQSKTHL-UHFFFAOYSA-N 446.550 4.170 10 20 IICD CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 918100326 YRPCESUYOAJDDI-UHFFFAOYSA-N 441.915 4.377 10 20 IICD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920881828 QNTMFQFVMOSOCH-KRWDZBQOSA-N 438.959 4.221 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2C2CC2)cc1 1792960907 JDGUAFZOXAGUQK-AZCRNNOYSA-N 431.580 4.392 10 20 IICD O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccc(O)c(O)c1 23564569 SBYHITQUMDOAKF-UHFFFAOYSA-N 442.880 4.077 10 20 IICD Cc1ccc(NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1 302833494 NMKMLTXPSCUWQX-QGZVFWFLSA-N 433.346 4.083 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Br)cc1O 726625139 DQFGFYMZAGHRFZ-UHFFFAOYSA-N 441.272 4.155 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 728977939 IJWGWVPZZVUVSD-CYBMUJFWSA-N 438.484 4.340 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@@H](c2ccco2)C1 732128315 AFCVUDUEPUMPQS-RFRKOGIWSA-N 432.592 4.339 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C/c2cnc(C)s2)cc1 732766325 HBJHXDCWJWRZEF-OUKQBFOZSA-N 435.549 4.109 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2F)C[C@H](C)O1 739522954 JXYLUFCWXQDJAK-GJZGRUSLSA-N 429.923 4.433 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)N[C@H]3CCOc4ccccc43)CC2)cc1 741490829 UGTKAANMFHBJEY-IBGZPJMESA-N 433.524 4.245 10 20 IICD Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800900 MLPKMKNODUZVBL-KRWDZBQOSA-N 426.467 4.385 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 743807628 JVOYPCGKIIJGEG-LJQANCHMSA-N 433.346 4.079 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2nc[nH]c2c1 743940871 MELWKANRHAWUGC-MHWRWJLKSA-N 428.564 4.245 10 20 IICD CN(C)C(=O)C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc21 745576393 HYAFMKXZNYPQOY-GOSISDBHSA-N 440.975 4.232 10 20 IICD CNC(=O)CC1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 746670107 LPGXNMJMTMQEAB-KRWDZBQOSA-N 447.526 4.115 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)c3c(C)nn(C)c3C)c2C)cc1 746933441 PKDIYVANDSAMDF-MRXNPFEDSA-N 437.540 4.373 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O 750617327 VGKPJEQJKVMUCW-IBGZPJMESA-N 443.547 4.486 10 20 IICD COc1ccc(N2CCN(C(=O)[C@H](C)c3ccc(Br)s3)CC2)cc1F 753742092 NGFNQZUSQRRTDJ-GFCCVEGCSA-N 427.339 4.111 10 20 IICD C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758815709 SFXVQSKLHSDNTJ-MMOPVJDHSA-N 433.499 4.068 10 20 IICD CCOc1ccc(C2(CNC(=O)NCCCSc3nccs3)CCOCC2)cc1 759570482 PDQPDQQNMGFHTG-UHFFFAOYSA-N 435.615 4.072 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 759589255 QNYPZMSUPDMJPU-IZIDJEDMSA-N 439.464 4.113 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc(OC)c1OC 759885239 BELNLVVAHFYCSA-UHFFFAOYSA-N 425.554 4.158 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O 760027579 AJNFMCRPCOLGSG-LLVKDONJSA-N 432.767 4.371 10 20 IICD CC(=O)c1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1C 760090203 KHVIQSVHXIFHGB-UHFFFAOYSA-N 428.400 4.134 10 20 IICD Cc1nc2ccc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)cc2s1 761710468 XEQMEDSWGANADX-UHFFFAOYSA-N 430.533 4.349 10 20 IICD C[C@@H]1CCCN(Cc2csc(NC(=O)NCc3cccc(Br)c3O)n2)C1 765215997 XQMQSOOMSRZNQS-GFCCVEGCSA-N 439.379 4.165 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 766433899 ZTCORERPONSISH-INIZCTEOSA-N 449.954 4.312 10 20 IICD CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]1c1ccccc1 769720753 VSOOFXDLUKITIT-FQEVSTJZSA-N 442.562 4.478 10 20 IICD Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773763695 YLYZJOWGAFOKJH-LLVKDONJSA-N 431.286 4.185 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 775370549 WAMIYPIFDVRVSI-MSOLQXFVSA-N 447.535 4.181 10 20 IICD COc1cc(Br)cc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c1O 780778800 GECCBBGYDHGKSR-HNNXBMFYSA-N 445.357 4.280 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)c2)CC1 781048032 SVUSCJOEIYLRTD-UHFFFAOYSA-N 448.567 4.126 10 20 IICD O=C(Nc1ccc(SC(F)F)nc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896558 QOEAUQWIWTYZGH-UHFFFAOYSA-N 435.496 4.402 10 20 IICD CCNC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783485826 KVRIWCPPDZNNLY-QGZVFWFLSA-N 445.523 4.143 10 20 IICD Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C(=O)N1CCCC1 784062291 JYYHXPSHOLUZQA-UHFFFAOYSA-N 448.567 4.118 10 20 IICD COc1cc(SC)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 785398362 QZMHDPZAUXGMMH-UHFFFAOYSA-N 448.456 4.353 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)cc(F)c1Br 785871846 AHYLAAJLVDTWEV-UHFFFAOYSA-N 440.288 4.228 10 20 IICD COc1ccccc1CC(=O)N1CCC(N[C@H](C)c2cccc(C(F)(F)F)c2O)CC1 788584691 PKOXFQRIERSDTO-OAHLLOKOSA-N 436.474 4.304 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1C 788748717 YZTNJXPVDXKQSD-UHFFFAOYSA-N 441.333 4.003 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 789305016 HWMZTVSXEWVLBT-NRFANRHFSA-N 434.367 4.067 10 20 IICD COC(=O)c1nc([C@@H]2CCCN2Cc2cc(Br)cc(OC)c2O)sc1C 793235379 OLZDEFNIXDCXTC-ZDUSSCGKSA-N 441.347 4.052 10 20 IICD CO[C@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 794181858 UNFWOSYFTHNBRE-KETLNSEPSA-N 438.640 4.147 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1F 798218522 GDZVOZBOJSTYPO-UHFFFAOYSA-N 438.798 4.439 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C)c3nnc4ccccn34)cc2Cl)C1 799860805 GSYDURHCWPEYMN-HOTGVXAUSA-N 426.952 4.179 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(C)c1F 802610366 WGTXAEPRIMDVKU-UHFFFAOYSA-N 437.309 4.370 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 805023664 ZKPBVNLBSFNABO-RBUKOAKNSA-N 439.522 4.024 10 20 IICD CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2NC1=O 806893804 FDBWPPUWGIWHIN-QLJPJBMISA-N 438.311 4.369 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(=O)n(Cc2ccccc2Cl)c1 807835904 MGFXRJVZSIWPFK-UHFFFAOYSA-N 437.710 4.492 10 20 IICD O=C(CSc1nncn1-c1cccc(Cl)c1)NCc1cc(Cl)cc(Cl)c1O 813682933 NPOZMHGZYUQRSK-UHFFFAOYSA-N 443.743 4.342 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(OC)c(OC)cc1C 819519278 RIIVXXJAXSJEAX-UHFFFAOYSA-N 428.529 4.014 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCN(C)CC3)cc2)cc1 877841898 PAYWICOCCQUIKM-VWLOTQADSA-N 428.536 4.218 10 20 IICD CCN(CC)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCC(=O)NC)cc1 914715969 PJFRSRNVMYRJDL-KNTRCKAVSA-N 442.563 4.044 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCOc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918219909 QSEAVIWHRFHUEQ-HDICACEKSA-N 447.526 4.189 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c(C)n1-c1ccc(Cl)cc1 918640529 UPZWWRCXIRMHPF-UHFFFAOYSA-N 443.960 4.090 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 919968494 AYPXRJUATWCCRG-UHFFFAOYSA-N 447.457 4.205 10 20 IICD CC(C)Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 919969466 YWVRGUZVIIQAJC-UHFFFAOYSA-N 436.596 4.373 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1-c1ccc(C)cc1 1254761097 JSMZPFMDMAVWFE-SFHVURJKSA-N 425.506 4.039 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 1320265765 MSIHTJNUFCIDGR-UHFFFAOYSA-N 443.035 4.237 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1F 1320989446 ROSHSCHSWKQUFH-UHFFFAOYSA-N 425.894 4.362 10 20 IICD Cc1nc(CSCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 1339546313 UBJHGRCYSXDMTG-CQSZACIVSA-N 427.542 4.071 10 20 IICD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCCC1 1814531859 WXNGDFBHTUETJR-MRXNPFEDSA-N 446.935 4.361 10 20 IICD CCOCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1816884250 WZKRPBPZZUOEHB-JOCHJYFZSA-N 449.555 4.160 10 20 IICD Cc1cc(C)nc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1843163983 LKZLCBIIJIOJHE-UHFFFAOYSA-N 442.563 4.237 10 20 IICD COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 115188750 YSKAWDUPGSNATK-UHFFFAOYSA-N 438.480 4.159 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)cc2)SC1=S 727176279 INJTXZCQRDUIKZ-OQLLNIDSSA-N 432.533 4.417 10 20 IICD CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)CCC1 730045733 MRQHMXOBDJZSOM-UHFFFAOYSA-N 437.323 4.043 10 20 IICD CSc1ccsc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 730637275 PYUGXGOCLDZMQT-UHFFFAOYSA-N 437.498 4.041 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccccc4)cc3OCC(C)C)CC2)cc1 730776565 TYKWUMOJXIEAHK-UHFFFAOYSA-N 448.567 4.315 10 20 IICD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCCSc2nccs2)cc1 733971690 BGYMWRYOEAYHQE-CALCHBBNSA-N 447.626 4.224 10 20 IICD Cc1cccc(-c2nnc(S)n2CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 735927672 XGXDEZUOIWPOMJ-UHFFFAOYSA-N 448.548 4.460 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Oc2cnccn2)c1 736480191 XFARZHKGKGGIIJ-UHFFFAOYSA-N 440.450 4.269 10 20 IICD COc1ccc(C2(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCOCC2)cc1 742373471 WRFBSWVTKCQMPG-UHFFFAOYSA-N 425.529 4.389 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(NC(=O)CCN(C)C)cc3)c2C)cc1 743974954 KRUXMFYMIXWHCS-UHFFFAOYSA-N 434.540 4.245 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1-n1ccnc1 745770079 ZMRALVJDFLLEMV-UHFFFAOYSA-N 429.318 4.072 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCOc2ccc(F)cc21 745811929 HWTWONASWJROEW-DNVCBOLYSA-N 435.446 4.219 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 745876306 YJOMBPHOBRFLNI-IBGZPJMESA-N 447.482 4.111 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)c[nH]1 753138901 QNAQKWDFZTXVIQ-AUWJEWJLSA-N 442.440 4.101 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c[nH]1 753139356 SVMNAGDHYZTLKY-VGOFMYFVSA-N 426.441 4.222 10 20 IICD O=C1C[C@H](N2CC[C@@H](C3CCOCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 754686264 IYCSDPGCAKOZNW-XXBNENTESA-N 432.524 4.482 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ncc(Br)s3)cc2F)CC1 756925715 IDNSKJJADJCDFE-ZDUSSCGKSA-N 427.387 4.037 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(OC(F)(F)F)cc1Br 757916416 TXRSTQOXHMFFRQ-UHFFFAOYSA-N 435.196 4.123 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)cc2)CC1 758679012 JZJHEIZOSRJXAJ-ILBGXUMGSA-N 425.548 4.027 10 20 IICD C[C@H](Cc1ccccc1Br)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 760195476 SYIQUWSQBAZIQI-APWZRJJASA-N 447.373 4.477 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 761973241 OPSVASBZVYKOFK-NSHDSACASA-N 430.863 4.334 10 20 IICD Fc1cc(CN[C@@H]2CCCOc3c(Br)cccc32)ccc1N1CCOCC1 765118607 NIOPLDOJCFOWTM-LJQANCHMSA-N 435.337 4.428 10 20 IICD CC(C)n1cc2c(n1)[C@@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CCC2 765885816 XDVZNUYDBPWPMI-FQEVSTJZSA-N 447.530 4.411 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)[C@H](Oc1cccc(Br)c1)c1ccccc1 767774060 PICLHDYHUUEWKI-OAQYLSRUSA-N 442.309 4.339 10 20 IICD CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3C)c2C)nnc1-c1cnccn1 768415306 ZMJILDYIHVGZNP-UHFFFAOYSA-N 432.553 4.446 10 20 IICD COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 769067279 YUIGIOKOWLMOPR-HOYKHHGWSA-N 435.524 4.275 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(c4nnc5n4CCCC5)CC3)c2C)cc1 772967334 JCJHMUOJIDFPRT-UHFFFAOYSA-N 433.556 4.050 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ncc1Br 773656677 ADCMDYPRZWXQHS-UHFFFAOYSA-N 431.334 4.039 10 20 IICD COc1c(Br)cccc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 773910132 WGUKBQKIQALOJG-JLHYYAGUSA-N 444.372 4.304 10 20 IICD COc1cccc([C@H]2[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC(=O)N2C2CC2)c1 776469555 PVFHLJLRCAOSQC-AHWVRZQESA-N 447.579 4.054 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC(O)(C(F)F)CC2)c(C)n1-c1ccc(OC(F)F)cc1 778310856 JASWYKUYPRHQDJ-HNNXBMFYSA-N 442.453 4.359 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(C)c2O)cc1NS(C)(=O)=O 779045947 BRMGKGSAWJPPTR-LLVKDONJSA-N 429.336 4.016 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCc4[nH]c5ccc(C)cc5c4C3)CC2)cc1 779341033 NFWHVYDRNUWOCK-IBGZPJMESA-N 432.568 4.310 10 20 IICD Cc1cc(C)n(-c2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c(C(F)(F)F)c2)n1 779497059 DJECDNPUNDRCDY-XBXARRHUSA-N 431.414 4.249 10 20 IICD CSCCCCCCNC(=S)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 782195625 ILEVLGOOWIWKPL-CALCHBBNSA-N 427.655 4.327 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N(c3ccccc3)c3ccccc3)cc2)C1 782422418 UUWJMYWFOGZXNZ-OAQYLSRUSA-N 428.536 4.436 10 20 IICD CCOC(=O)c1c(C)csc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896440 NYJKRDIYJDKURM-UHFFFAOYSA-N 444.553 4.239 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784062691 RSTXHQFRWHMMDA-UHFFFAOYSA-N 445.523 4.464 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)n1 784106947 AVBJPFVBASBUDB-UHFFFAOYSA-N 447.539 4.352 10 20 IICD COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC(F)F)c1 788885983 QFRROVOXDNJOBA-ZDUSSCGKSA-N 442.409 4.297 10 20 IICD OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1C(F)(F)F 793368923 CLZPTFYMFFACGS-GOSISDBHSA-N 432.845 4.158 10 20 IICD CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCSc1ncc(C(C)(C)C)s1 799305911 OHSRJUGVLOSWAP-UHFFFAOYSA-N 447.669 4.190 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3cccc(C(N)=O)c3)cc2Cl)C1 799993030 BSOQVBQZPKRQGO-MRXNPFEDSA-N 428.964 4.017 10 20 IICD COC(=O)Cc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 800566362 WOTHXXBQTRGWLF-OAHLLOKOSA-N 430.936 4.009 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H](C1CC1)C(F)(F)F 809315230 KNFUHCBSZFFCHX-FWLQQBITSA-N 434.530 4.187 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3c(Cl)cccc3Cl)C3CC3)nc12 810023138 XSCLAPLVSNODKF-GOSISDBHSA-N 435.311 4.159 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)cc1 810351320 JURXYMHXBMUKOO-UHFFFAOYSA-N 425.577 4.140 10 20 IICD Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 857473247 VCUZFGNEGSBEIZ-CQSZACIVSA-N 430.904 4.411 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccn1 914907108 QQSJZWMLCNPBRS-HNNXBMFYSA-N 442.313 4.436 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1 916222909 HSJSUHSZIRORMQ-FQEVSTJZSA-N 440.617 4.211 10 20 IICD C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917251758 GFYPXFSEWCDQKP-LBPRGKRZSA-N 435.505 4.262 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1 919992513 JKDHETJYCMXPHP-UHFFFAOYSA-N 433.556 4.030 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(OC)c3Br)CC2)cc1 1320350010 SLXJROLJOVMCNR-UHFFFAOYSA-N 434.334 4.257 10 20 IICD Cc1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797149558 FQJQKFLWSPLTRE-VILGAWFOSA-N 442.563 4.363 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=COCCC2)cc1 1802400420 YISXERDANPJFMV-VILGAWFOSA-N 433.552 4.040 10 20 IICD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c(C)o1 1842421082 HOQOQFUPGSOWNR-UHFFFAOYSA-N 431.536 4.435 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)ccc21 427152677 LVPTUWLJJYMMQV-QFIPXVFZSA-N 428.573 4.095 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726271510 UWWMQNUWYWHXKZ-QUCCMNQESA-N 444.620 4.462 10 20 IICD O=C(COC(=O)c1ccc(C(F)F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 726666591 UMWMBGMLTQPTMZ-UHFFFAOYSA-N 435.382 4.195 10 20 IICD O=C(NCc1ccc(F)cc1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 727467134 NODLCASLMHCYOL-UHFFFAOYSA-N 437.490 4.344 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727931346 VPLUXXRTIXEMLG-ZWKOTPCHSA-N 435.351 4.365 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1F 731345529 AFYWJOUVQAUEIL-UHFFFAOYSA-N 441.576 4.029 10 20 IICD CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccccc3O)cc2)cc1 731843031 OAILHFZDHNLHAF-UHFFFAOYSA-N 433.508 4.114 10 20 IICD CN(c1ccc(CNC(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1)C1CCCCC1 732455460 MJJCTHBGYZGKJJ-HSZRJFAPSA-N 426.605 4.142 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 734667349 YXRDREZGZUWJNK-UHFFFAOYSA-N 432.515 4.131 10 20 IICD COc1ccc(N2CCC(NC(=O)NC3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1 734864638 JMWNBYSIXVGKTQ-HXUWFJFHSA-N 436.600 4.189 10 20 IICD O=C(NCCCSc1nccs1)c1nn(-c2ccc(F)cc2)cc1Br 735471641 UCOQJKJATJKLFA-UHFFFAOYSA-N 441.351 4.143 10 20 IICD O=C(Cc1csc(-c2ccccn2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801863 TXHPZBMNZDHCTP-HNNXBMFYSA-N 444.507 4.134 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(Br)cc1F 743191593 DMMPPYSITGWYIJ-UHFFFAOYSA-N 448.292 4.073 10 20 IICD O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)ccc2[nH]1 751126265 KIBLURDMQGYGBV-UHFFFAOYSA-N 437.546 4.331 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](COc2ccccc2Cl)C1 754107252 VZXVGAIOLJOJFQ-FQEVSTJZSA-N 443.975 4.177 10 20 IICD Cc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)c1C 756442205 CNYYFMBCKMKOKZ-LJQANCHMSA-N 435.547 4.116 10 20 IICD C[C@H](NC[C@H](O)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756476868 WISWPRJRUVWLBT-VFZGTOFNSA-N 433.115 4.441 10 20 IICD Cc1ccc([C@@H]2NC(=O)N(C3CCN(c4ccc(OC(F)F)cc4)CC3)C2=O)cc1C 761163557 ZTWWZIBCNCVZBS-FQEVSTJZSA-N 429.467 4.167 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3cccc4[nH]ccc34)no2)c1)c1cccs1 761660900 BCZJEIZXMGNFHG-UHFFFAOYSA-N 438.490 4.453 10 20 IICD Cc1csc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)n1 762074022 ODAZCMGCQRDTQA-WQLSENKSSA-N 434.593 4.397 10 20 IICD C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 765078746 FDYLQGLNCYWWHH-GOSISDBHSA-N 432.033 4.420 10 20 IICD COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Br 765246530 URWIUTCXPFCJSP-CRAIPNDOSA-N 446.389 4.010 10 20 IICD CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 767109837 XJKINAGXBSJILT-OVWNDWIMSA-N 434.370 4.077 10 20 IICD C[C@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 775262192 ZJRQSIUGNRXHOR-NRFANRHFSA-N 429.564 4.403 10 20 IICD CC[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1O 775531753 CADBDFXCAWSEOV-QGZVFWFLSA-N 425.348 4.258 10 20 IICD Cc1cc(C(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1cccc(Br)c1 779446855 WBYMOCOFQGITII-UHFFFAOYSA-N 428.334 4.021 10 20 IICD C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1(C)C 780808601 KOOPEFHMFSDDBG-NSISKUIASA-N 445.604 4.076 10 20 IICD O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895853 GFZMMIGVPNJYDJ-UHFFFAOYSA-N 442.466 4.437 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c12 783592629 KMMUIUHXMXGVQU-JOCHJYFZSA-N 435.568 4.383 10 20 IICD Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 792049769 FNKIUFNYNHPBOW-NLFFAJNJSA-N 430.552 4.376 10 20 IICD CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 799363815 PNUSVNZXDKHFHT-HXUWFJFHSA-N 430.593 4.123 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3nncn3-c3ccccc3)cc2Cl)C1 799883975 YHRGAHJXWQZPII-KRWDZBQOSA-N 438.963 4.156 10 20 IICD CC(C)c1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1 800635923 BKIDPRJMTXALLA-AWEZNQCLSA-N 434.993 4.411 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](CC(C)C)c1ccccc1OC 808967614 BYPJPCMVGWNMKI-JOCHJYFZSA-N 425.573 4.013 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 813684264 MXBURQYLPIPMIS-DJKKODMXSA-N 442.302 4.181 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(CN2CCCCC2)c1 857472011 DQKKPBAILYAHNA-QHCPKHFHSA-N 442.003 4.426 10 20 IICD COC(=O)c1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 913931594 OSQDIUIKKSZKQU-FOWTUZBSSA-N 446.575 4.155 10 20 IICD COc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCCCC2)cc1 914846826 VKSOKMSNPCYINO-DEOSSOPVSA-N 432.568 4.455 10 20 IICD C[C@@H]1CN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2)C[C@@H](C)O1 914867177 QKJMLBSODRVJQS-WOJBJXKFSA-N 448.567 4.197 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2cccc(Br)c2)n1 915222672 RAYWJDJSJDCKEP-UHFFFAOYSA-N 425.329 4.382 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(c2ccc(F)cc2)CCC1 916456696 MVHAXABLCCHMIA-UHFFFAOYSA-N 436.449 4.419 10 20 IICD C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916835164 GHHYELWFLUJCFF-OAHLLOKOSA-N 439.453 4.188 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N(C)Cc3ccccc3O)cc2)c1 917308025 XOGGMCYMWCMMBK-UHFFFAOYSA-N 425.506 4.049 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2C)cc1 917846242 MZWIRHFBWKQSNL-UHFFFAOYSA-N 437.474 4.365 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2scnc2C)sc(C)c1-c1ccccc1 919164571 GBTAGPZYNHUDSI-UHFFFAOYSA-N 444.534 4.461 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CC(C)(C)[C@H]3c3ccccc3)CC2)cc1 919899969 CIWHOWRSBMUYCH-XMMPIXPASA-N 436.600 4.000 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1Oc1cccnc1 920190253 ZSDYIISOSHXZMV-UHFFFAOYSA-N 430.508 4.037 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 921237043 CGNWRRPDHQCMCC-UHFFFAOYSA-N 433.936 4.118 10 20 IICD CC(=O)NCCN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(Br)s1 1116917892 PCZVRBPAFAZMNL-UHFFFAOYSA-N 436.419 4.249 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1-c1ccccc1 1251394958 MJLABMPPGXWGNK-UHFFFAOYSA-N 434.511 4.392 10 20 IICD O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1319300067 FTNIFRVGCMTHAH-QGZVFWFLSA-N 429.973 4.369 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(Cl)c3)n2)cc1 1325860814 QETZKOCKHNFLPD-UHFFFAOYSA-N 439.921 4.040 10 20 IICD CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 8760844 KBFMJFWHEASOGG-QRVIBDJDSA-N 434.467 4.136 10 20 IICD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 494585166 SDTDUARPRZWRDP-UHFFFAOYSA-N 441.329 4.048 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCSCC4)cc3C)CC2)cc1 726697237 FPFXHASQKHIDOV-UHFFFAOYSA-N 440.613 4.347 10 20 IICD CC1CCN(C(=S)SCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1 728838925 ASHFRDTVFGBSPY-UHFFFAOYSA-N 447.592 4.394 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccncc3)cc2F)CC1 730132339 BVHUACQQTOHJGH-QHCPKHFHSA-N 439.579 4.190 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(C)cc4C)c4c3CCC4)CC2)cc1 730218467 KVHMPOSTXOAPNJ-UHFFFAOYSA-N 444.579 4.385 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1csc(-c2ccccc2)n1 730932611 MZSPNJFBMMAGRF-UHFFFAOYSA-N 443.531 4.463 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1noc2c1CCCC2 731240559 HTLBHZQKZWVFPW-GZTJUZNOSA-N 448.591 4.340 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(F)cc1F 732526293 YVOXFWOAJIKPHC-UHFFFAOYSA-N 438.477 4.293 10 20 IICD C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 734229426 NCKCTEKYDMDMNP-IBGZPJMESA-N 442.523 4.341 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(OCC2CCCCC2)cc1 741097663 UMXJBOPVTAOELE-UHFFFAOYSA-N 433.552 4.277 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742581449 SHHJMMBXPXCAIC-UHFFFAOYSA-N 448.445 4.398 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 742799444 AVDYCEMFMZSXEH-NHCUHLMSSA-N 443.538 4.285 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC2CCOCC2)cc1 742806563 RQQUVHZVUWRAIM-GOSISDBHSA-N 446.494 4.245 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1C 743045396 IQZYPYLZZBCAIN-UHFFFAOYSA-N 441.376 4.207 10 20 IICD C[C@H](NC(=O)NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(N2CCOCC2)cc1 745179277 IATNTKRWLBOJGN-INIZCTEOSA-N 426.948 4.261 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CC3CCCCC3)cc2)C1 747301394 SCLVJVCQTZKKAS-JTHBVZDNSA-N 426.605 4.033 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 751092513 NKYDFIMLQAFVBM-UHFFFAOYSA-N 444.620 4.382 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)CC2)cc1 751092524 XYYSCQJXOOIRRS-NFBKMPQASA-N 436.600 4.016 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 752856067 FNJJJDIBBRBLNA-UHFFFAOYSA-N 428.580 4.438 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)c(F)c(F)c1F 753083396 LOLHURMPORXLIJ-UHFFFAOYSA-N 426.410 4.245 10 20 IICD COC1CCN(C2(CN[C@H](C)c3cc(Br)c(F)cc3O)CCCC2)CC1 756551982 LKKNQNHLBWOYPP-CQSZACIVSA-N 429.374 4.368 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 756608951 MNSYIGGDXHEJED-ROUUACIJSA-N 438.540 4.017 10 20 IICD CCc1ccc([C@H](C)CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 759242326 XEHFXAUSAQVCMW-GOSISDBHSA-N 426.557 4.117 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)CN3CCC(N4CCN(C(C)C)CC4)CC3)c2C)c1 761123428 MTSVJEDFEKMSDR-UHFFFAOYSA-N 436.644 4.076 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 761973481 QOQOIJYBTDDXEJ-BFUOFWGJSA-N 434.920 4.497 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 765659608 OAAKBVMYQRDRNB-NRFANRHFSA-N 431.483 4.171 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2c(F)cc(F)cc2C1 766941525 WTXTVEQUIGYMHV-UHFFFAOYSA-N 437.437 4.303 10 20 IICD CC(C)(C)OC(=O)NCCN(CCO)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 767503634 QBEMDUIPCAXQBG-UHFFFAOYSA-N 427.505 4.453 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccc(F)cc4F)C3=O)cc2)CC1 771514911 WGNGRBGKYFBVFQ-XDHOZWIPSA-N 431.533 4.122 10 20 IICD CC(C)n1ncc2c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc(-c3ccccc3)nc21 773741180 VZIJREFAKDWVQZ-MRXNPFEDSA-N 430.508 4.451 10 20 IICD COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc2)cc1 775409853 HFRGFUYPVZFVCP-UUOWRZLLSA-N 431.536 4.110 10 20 IICD C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc(N(C)C)cc1 775532508 WHZNEGXQNXLLJI-HNNXBMFYSA-N 447.377 4.234 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4c([N+](=O)[O-])cnn4C)n3)c2C)cc1 777520509 CTDGQIQJYJKBGA-UHFFFAOYSA-N 436.497 4.420 10 20 IICD C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)cc(Cl)c1O 779190667 BWEDXFBBLDCTFU-ZDUSSCGKSA-N 429.369 4.432 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)nn1[C@H](C)C1CC1 783481781 DXHSIETYPIEXFQ-QZTJIDSGSA-N 431.540 4.478 10 20 IICD Fc1cccc(C2CC(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)C2)c1 783549618 SAMXIZPPCAGRLY-UHFFFAOYSA-N 435.522 4.117 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc4nc(-c5ccccc5)oc4c3)c2)CC1 793547297 BLABUFXLZOROFZ-UHFFFAOYSA-N 440.503 4.449 10 20 IICD COc1cccc(C(=O)CCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 794356423 FEEPXJADIOTQJU-GOSISDBHSA-N 446.494 4.435 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c(C)c1 799187552 UVHMJENTCSXXEH-UHFFFAOYSA-N 427.551 4.421 10 20 IICD Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)C2 799995666 SCNACEYSSBNZKT-KXBFYZLASA-N 427.980 4.031 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](Cc4cnn(C)c4)C3)cc2Cl)C1 799995771 VPLQZUIFXPHPGA-PKOBYXMFSA-N 429.996 4.084 10 20 IICD CCc1oc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1C(=O)OC 800793697 UKQDSFNTGSBHFT-PDGQHHTCSA-N 431.535 4.081 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1 800866533 MMKTUQPLDVTMAN-CWTWTGJCSA-N 434.580 4.338 10 20 IICD O=C(NCCCSc1nccs1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 806961873 XOWAJMAIIVYRAV-GOSISDBHSA-N 445.532 4.345 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4ccccc4Br)C3)CC2)cc1 812832340 WMMVNHFSNCKMTL-SFHVURJKSA-N 430.390 4.295 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1 813072804 OOGSMHUKNCGYSU-XMMPIXPASA-N 425.573 4.115 10 20 IICD Cc1cc(C(=O)Cn2cnc(C(F)F)cc2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 813578529 WZOSMUPYCGSONA-UHFFFAOYSA-N 441.356 4.370 10 20 IICD CNC(=O)c1cc(Oc2cccc(NC3CCN(c4ccc(OC)cc4)CC3)c2)ccn1 813789916 AURGBHPARMOASS-UHFFFAOYSA-N 432.524 4.323 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1 815153073 GSEQCHZVZIQHTK-IZTPNPOGSA-N 444.616 4.015 10 20 IICD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N2CCCC2)cc1 915083692 CELMRTIXHKQOKK-LWSGHJBASA-N 437.628 4.260 10 20 IICD CC(=O)NCC1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 917119987 PAWZVWLWFXERAE-KRWDZBQOSA-N 447.526 4.115 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cc3F)cc2F)C[C@H](C)O1 917713504 RNWALHKYTOLVEZ-STQMWFEESA-N 439.300 4.271 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(C(F)(F)F)c3)cc2F)C[C@H](C)O1 918167797 ISPYWFIQNWFKSW-GJZGRUSLSA-N 439.453 4.458 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 920873544 LHCXHYDHLFSLKL-UHFFFAOYSA-N 435.553 4.452 10 20 IICD COc1ccc(Cl)cc1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1116046293 DSKOWXGCRJCMCG-IYBDPMFKSA-N 449.954 4.143 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)OC(C)C)cc1 1798546155 XQJCEBJSOPXNND-HFGNEKBZSA-N 437.584 4.159 10 20 IICD COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 23637309 MCMORWFXPMCNSA-MRXNPFEDSA-N 440.471 4.434 10 20 IICD COc1ccc(C)cc1-n1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O 28848273 CSVLWUVLYORPRF-UHFFFAOYSA-N 448.500 4.089 10 20 IICD CSc1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 303827144 KYHYHAJVLVKSKM-GCJKJVERSA-N 428.598 4.450 10 20 IICD O=C(Cc1cccc(Br)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566999 JYUZSZWGSQGDRQ-UHFFFAOYSA-N 439.300 4.378 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc2c1OCO2 726626606 INQPTLODRCFPSL-CPNJWEJPSA-N 442.562 4.152 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 730593969 XOSWQQHXGZWCJF-UNOMPAQXSA-N 428.535 4.076 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 730902875 JGSACTZERIPKFJ-UHFFFAOYSA-N 442.991 4.471 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccccc3I)cc2)CC1 731016616 NWXFJYMXPKHTLK-UHFFFAOYSA-N 434.321 4.458 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1ccc(Cl)cc1Cl 732241501 KMVHBCLWYDYWKB-LJQANCHMSA-N 440.396 4.079 10 20 IICD CCOC(=O)c1csc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 733968385 QEYLKFKVUJGAOC-UHFFFAOYSA-N 431.945 4.240 10 20 IICD Cc1cc(Cl)cc2nc(SCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)oc12 735234584 MKNZCNTUHCTMKV-UHFFFAOYSA-N 449.935 4.174 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 735682237 UPDMMDSUCXHZKO-LJQANCHMSA-N 440.396 4.079 10 20 IICD O=C(NCC1(c2cccc(F)c2)CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 740065176 ZHMATVNWISSFIG-UHFFFAOYSA-N 433.474 4.427 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCSc2ncccc21 741956500 AXDGPSYOPXXXMI-QINSGFPZSA-N 447.632 4.263 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 742781425 XBGMIPYLMQWMHI-GOSISDBHSA-N 447.535 4.336 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 743080988 QUDWYEAGSVRYLU-UHFFFAOYSA-N 426.542 4.283 10 20 IICD Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1 743554852 MPARJPLZRGPCSC-YDIMBITNSA-N 441.547 4.031 10 20 IICD COCCc1noc(-c2cc(Cl)ccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)n1 753558226 QLZRKTJGMBZBIM-UHFFFAOYSA-N 447.898 4.106 10 20 IICD Cc1cnc(C(C)(C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 754702359 RDMOCEHBRGZQDC-CQSZACIVSA-N 433.533 4.079 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 755081214 GFGJDAQNKCJUKJ-UHFFFAOYSA-N 434.334 4.405 10 20 IICD COc1cc(OC)cc([C@H](N[C@@H](C)c2cc(Br)ccc2O)c2nccn2C)c1 756393214 QXGYBQMSFPLFIR-RBZFPXEDSA-N 446.345 4.346 10 20 IICD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)c1ccc2c(c1)OCO2 756654677 XFMQFSSZQXACDX-GOSISDBHSA-N 445.519 4.323 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1 756770142 TVLINLJJSFLPLJ-LAUBAEHRSA-N 446.588 4.431 10 20 IICD COCCCN(C(=O)/C=C/c1cccnc1)c1cccc(NC(=O)/C=C\c2cccnc2)c1 760617001 SGOUAFOOBYRCLP-PJABCKPXSA-N 442.519 4.211 10 20 IICD Cc1ccc(Br)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 763283968 VJGOMHCOWWSAJC-HUUCEWRRSA-N 435.337 4.440 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 764896408 ZRZBCUPSNAODLU-UHFFFAOYSA-N 428.598 4.196 10 20 IICD C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(N2CCOCC2)c(F)c1 765252595 SEGKGUMOEDOIMJ-SFHVURJKSA-N 434.515 4.160 10 20 IICD Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 765687505 STBOREQAFUNVRH-HNNXBMFYSA-N 428.439 4.045 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C1CC1 768420842 IJGCPHJPBQZGKF-KRWDZBQOSA-N 432.515 4.417 10 20 IICD CCn1nc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c2ccccc21 769917443 BVGOOPPRZCUVEO-OAQYLSRUSA-N 437.588 4.478 10 20 IICD C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(N2CCOCC2)c(F)c1 773133086 QDDTXMVYEBJEGL-DPSWKAHMSA-N 447.982 4.038 10 20 IICD CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCOc3cc(N(C)C)ccc32)cs1 774758399 DVDJELAVPTZQJF-UHFFFAOYSA-N 426.517 4.432 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1F 775050340 HFIGBVKFTURCRY-UHFFFAOYSA-N 432.907 4.252 10 20 IICD CCOC(OCC)c1nnc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n1C 775178826 FPXGPBZNBKMFBN-UHFFFAOYSA-N 446.548 4.408 10 20 IICD Cc1cc(Br)cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O 776254555 ZGWIBMVKDVJHPA-OALUTQOASA-N 439.781 4.278 10 20 IICD C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2N1C(=O)/C=C/c1cncc(F)c1 776978634 VPHXTCYXRZTALC-LIDFJSPQSA-N 446.457 4.250 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC2(CC1)OCCc1ccsc12 778620567 NTAIIULQJRELNV-UHFFFAOYSA-N 443.638 4.075 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)cc2)CC1 779569967 ISCUIMYRTYMTEP-UHFFFAOYSA-N 443.538 4.394 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 782788500 XNPZUXQKZPZGDP-UHFFFAOYSA-N 426.561 4.296 10 20 IICD COc1cc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1OC 783484660 FVVJFRBAEFCQMG-KRWDZBQOSA-N 433.508 4.327 10 20 IICD C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1 783915093 ITVIIZHHUGDVJL-DNVFCKCGSA-N 449.555 4.141 10 20 IICD Cc1cc(Br)cc2c1[C@@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CC2 786795322 CFOZZUGRVYZSIE-NQIIRXRSSA-N 442.401 4.236 10 20 IICD Cc1sc(Br)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 799650273 DRNUGKBTJYRQDQ-UHFFFAOYSA-N 441.366 4.158 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cnn(CC(F)(F)F)c3)cc2Cl)C1 799952621 OHMGGGJPGJMLEJ-AWEZNQCLSA-N 443.901 4.335 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1 800634465 KBWQEAAJWKLCRD-UHFFFAOYSA-N 430.508 4.410 10 20 IICD CCOCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802626217 ZCOLFGHCWZBXPU-UHFFFAOYSA-N 436.604 4.337 10 20 IICD CC(C)(C)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n(-c2ncccn2)n1 806449797 CLZRZADRPJXMQO-UHFFFAOYSA-N 435.315 4.294 10 20 IICD COc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)c1C 806860007 FAOYUUWFSCWCJM-UHFFFAOYSA-N 449.551 4.447 10 20 IICD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2NC1=O 806893801 FDBWPPUWGIWHIN-HWPZZCPQSA-N 438.311 4.369 10 20 IICD Oc1ccccc1CN(Cc1ccco1)Cc1ncc(I)s1 809537978 AEKFWHJUPSNFAI-UHFFFAOYSA-N 426.279 4.249 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 812154343 RASLLMTWMVHOTC-HNNXBMFYSA-N 447.504 4.307 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 914577352 VZOIPGNGUVRQCL-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CCOc1cc2c(cc1NC(=O)NCc1ccc(N3CCSCC3)cc1)O[C@H](C)C2 916625315 BIZUBVYGKNIKAU-MRXNPFEDSA-N 427.570 4.284 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 917698021 WNMRMZIZQILHKK-UHFFFAOYSA-N 425.488 4.335 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccco2)nc2ccccc12 917707735 YUESRGBZMQLUCT-UHFFFAOYSA-N 431.467 4.401 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c2ncccc2c1 917852455 MSHYFRJAVSPAOQ-UHFFFAOYSA-N 425.491 4.196 10 20 IICD Cc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1-c1cccc(Br)c1 918618594 SJYPPSHOCSNUQZ-LJQANCHMSA-N 443.345 4.484 10 20 IICD CCc1cc(=N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 920870154 IAWUDPOATNRILJ-KRWDZBQOSA-N 433.512 4.046 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(C(C)C)cc4)CCC3)cc2)CC1 1324998969 PMCCUQZAJJXRAN-UHFFFAOYSA-N 433.596 4.217 10 20 IICD Cc1[nH]ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800514380 UPROFINJXMPBTC-UADZTWIMSA-N 430.552 4.296 10 20 IICD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)cnc1C 1845398166 GYFUMHNOUKKEBS-UHFFFAOYSA-N 442.563 4.237 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCC(F)(F)C2)cc1 1847221247 QRZHPGHOCTYECC-BVSLBCMMSA-N 441.522 4.345 10 20 IICD COc1ccc(N2CCCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)cc1 301380705 UHHTUPJWALOJTK-UHFFFAOYSA-N 428.536 4.010 10 20 IICD Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(CN2CCSCC2)c1 303001812 HXRVXJYCICRNNP-UHFFFAOYSA-N 438.622 4.367 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3csc(-c4ccc(F)cc4)n3)SC2=S)cc1 726627602 OVAVESAADCHLPY-CXUHLZMHSA-N 441.534 4.454 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCc4c(Br)cccc43)CC2)cc1 727942755 XBUBTRLHNBSDLN-NRFANRHFSA-N 444.373 4.413 10 20 IICD Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)c(C)c1 728523904 HONTZBSVUFWHEZ-NRFANRHFSA-N 434.565 4.260 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 728979414 HKULASDNPHMDBK-MJGOQNOKSA-N 432.520 4.284 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)SC2=S)CC1 733369556 KOTARYCKNAJMSL-MHWRWJLKSA-N 446.579 4.014 10 20 IICD O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1ccc(N2CCCC2)cc1 733888937 OCOGVDXLZZFLFS-UHFFFAOYSA-N 426.870 4.472 10 20 IICD COCCOC1CCN(CC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 735077808 OKRBWERJAVQGLM-UHFFFAOYSA-N 449.389 4.167 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cc2C[C@H]1C 741136175 IHIPMICJDRERHC-QGZVFWFLSA-N 427.570 4.165 10 20 IICD CCN(C)c1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745808422 LLUVHOINERZAFD-GOSISDBHSA-N 432.515 4.212 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 749011322 UQOMFNSLEXJCIW-UHFFFAOYSA-N 441.437 4.114 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3c(F)cccc3Br)cc2F)C[C@@H](C)O1 749323633 IOTXBLAPVACUEP-BETUJISGSA-N 439.300 4.271 10 20 IICD C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 749847721 IGZMUBGHZCDIDE-LJQANCHMSA-N 425.573 4.350 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 753637336 QVTUESCTGJBVIC-QGZVFWFLSA-N 443.503 4.320 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 758037276 YXCPAQQMSWBLJX-UHFFFAOYSA-N 443.960 4.359 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc(Br)cn2C)cc1F 758755035 NOFXMSZZEZEDBF-UHFFFAOYSA-N 425.346 4.115 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC 759200140 PZQGHUJQGHRULP-UHFFFAOYSA-N 439.434 4.085 10 20 IICD CCCc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1cc(C)ccn1 760966337 UJAQUFCDCHHELS-UHFFFAOYSA-N 448.571 4.029 10 20 IICD CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 763574888 LHTZDTDOBOAYQL-GJYPPUQNSA-N 425.520 4.150 10 20 IICD O=C(NCc1cccc(Br)c1O)C1(c2ccc3c(c2)OCCO3)CCCC1 765764631 NEPGWTYGGOLYGF-UHFFFAOYSA-N 432.314 4.054 10 20 IICD CC(=O)Nc1ccccc1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C 769461360 LDCOKSRCDMDGQV-UHFFFAOYSA-N 436.483 4.469 10 20 IICD COc1ccccc1-c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 771064142 IWCXNVQWBLKGLA-KRWDZBQOSA-N 441.915 4.104 10 20 IICD Cc1cc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(C)n1-c1ccccn1 774010955 BLBOVGLQXYISKQ-UHFFFAOYSA-N 447.539 4.430 10 20 IICD CC[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1cc(Br)ccc1O 775533736 NTPSDLXRPYPAEQ-HXUWFJFHSA-N 446.389 4.415 10 20 IICD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2C)c1 779472980 CFPOUAWUSCXMFO-FLIBITNWSA-N 438.505 4.167 10 20 IICD CC1CCN(c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2)CC1 783315424 CYGHGVQTRDOQSR-UHFFFAOYSA-N 436.600 4.365 10 20 IICD CCCOc1ccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c(C)c1 785193282 WFMCLZGFJSNPIT-UHFFFAOYSA-N 449.345 4.239 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 785544569 YWNAMYVAWIALPS-UHFFFAOYSA-N 426.516 4.215 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)cc1 789558986 XFZBXKRJCUJNPT-UHFFFAOYSA-N 447.535 4.227 10 20 IICD COc1ccccc1-c1csc(C2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)n1 790488709 VTVCJPIJPTYPCZ-OAQYLSRUSA-N 438.549 4.330 10 20 IICD CCn1ccnc1[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 797444859 JPDZFDGEMOYGOU-HXUWFJFHSA-N 447.530 4.410 10 20 IICD Cc1ccc([C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 798088212 JXTKFYOIXCHPAU-FOIQADDNSA-N 428.520 4.344 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc([C@@H]4CCCO4)nn3C)cc2Cl)C1 800564409 AZRSCQFSJAXRAL-YWZLYKJASA-N 431.968 4.483 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 801545002 FIZFAGLLBSSKJF-UHFFFAOYSA-N 441.513 4.023 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)cc1)C1CCCCC1 812963229 ZMIJGLQKCXSWAG-UHFFFAOYSA-N 440.491 4.186 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 813589511 AZBMDTZBWNUQAX-JEZSTIGHSA-N 447.576 4.003 10 20 IICD C[C@@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)Cc2ccccc2O1 813622100 LKPVEJCLQNIUFL-MRXNPFEDSA-N 431.483 4.250 10 20 IICD CN(C)c1ccc([C@@H](CN[C@@H](c2nc[nH]n2)C2CCCCC2)NC(=O)OC(C)(C)C)cc1 813863292 BMYWMQJGJVWHSG-NHCUHLMSSA-N 442.608 4.348 10 20 IICD COCCn1c(C)cc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c1C 814284656 UTRDYGYDGMLFMP-ZHZULCJRSA-N 430.595 4.204 10 20 IICD O=C(NCc1cccc(N2CCOCC2)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 815797204 GPMSEOCKUZPKPU-UHFFFAOYSA-N 443.507 4.194 10 20 IICD Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cc(C)n(-c3cccc(C(C)C)c3)c1C)C2 816563739 IQQDQICWCXZIFR-OAQYLSRUSA-N 434.584 4.002 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C2CC2)cc1 914439170 GINCGJYNDURQJI-UHFFFAOYSA-N 435.955 4.421 10 20 IICD Cc1ccc([C@H](C)N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917059634 ARICQDJZMYVGTC-AQNXPRMDSA-N 427.564 4.057 10 20 IICD C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)o1 918220956 NOYJAZBVXKMYQB-HRAATJIYSA-N 441.547 4.377 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)c2ccc(OC)cc2OC)cc1 1318410735 ONCMVBUPRSSKPX-MHZLTWQESA-N 448.563 4.428 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2CCC2)C3)cc1 1780986570 BHBFDBNQGQXIKO-SHQCIBLASA-N 449.595 4.022 10 20 IICD C/C=C(\C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1781710127 DGUFNHNGGUYKEJ-QUGSWUDESA-N 449.595 4.188 10 20 IICD COc1ccc(Br)cc1/C=C1\NC(=S)N(Cc2ccccc2Cl)C1=O 15282164 SFHNXWTUTQEVTQ-DHDCSXOGSA-N 437.746 4.369 10 20 IICD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 24207787 JHOSOLHKNMWCTF-HSZRJFAPSA-N 439.625 4.187 10 20 IICD O=C1NC(=S)S/C1=C/c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 208582276 UVXLQONSRVWTSH-UDWIEESQSA-N 449.557 4.249 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)ccc21 461432009 SGVMPDFLFAOQQU-RPBOFIJWSA-N 445.607 4.499 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 475945674 MSBXYVDMLVOCHC-IBGZPJMESA-N 448.350 4.090 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)ccc21 561679913 QLYISCKDBYJZBI-UHFFFAOYSA-N 427.888 4.141 10 20 IICD Cc1cccc(OCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726610972 PONLNDDZSUPUGM-UHFFFAOYSA-N 433.499 4.334 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 731760059 UBSUHGSXBRCNQC-UHFFFAOYSA-N 427.936 4.230 10 20 IICD Cc1cc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c(C)n1-c1ccccn1 733289074 INMDLZGYSVOZLC-FQEVSTJZSA-N 432.568 4.119 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1(c2ccccc2F)CC1 737037964 VSHIBICNBLDMOA-UHFFFAOYSA-N 437.437 4.170 10 20 IICD Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 738987931 ZZPXLLJTXOEYBK-IRLDBZIGSA-N 438.572 4.117 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCSCc1nc(O)c2ccccc2n1 739700803 MAKVICSEJLDGJA-UHFFFAOYSA-N 438.597 4.462 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2ccn3C)NC(=O)OC(C)(C)C)cc1 742751477 UTWRIJAYBQZINF-OAQYLSRUSA-N 436.556 4.240 10 20 IICD COc1ccc(CC[C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 742760758 RARGJKFHXLMOJL-QRVBRYPASA-N 443.563 4.268 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(Cc2ccc(F)c(F)c2)CC1 743542716 SFAZFCSCDOXTAA-UHFFFAOYSA-N 429.511 4.013 10 20 IICD COc1cccc(OCCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743625183 QUDRJZAZMYVZNI-QGZVFWFLSA-N 449.498 4.034 10 20 IICD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 743900541 KWLCPUBQSQQVHH-UHFFFAOYSA-N 425.598 4.274 10 20 IICD Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 747304076 FXUSZAIBJBBCEN-JPYJTQIMSA-N 433.556 4.316 10 20 IICD CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 747994818 GXPHKQMJSRKVGU-GOSISDBHSA-N 435.528 4.195 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1Cl 748091737 HXDFPBWEUOGUFO-UHFFFAOYSA-N 435.914 4.115 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H]3c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 748825808 ZDRICPWWMXKSKP-YVHKJVDXSA-N 445.966 4.156 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 751937632 SVEJWVKUFCXTRA-ZOCZFRKYSA-N 429.586 4.002 10 20 IICD C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)cc(F)c1O 756355117 NDQHXPWWHQHMKI-WBMJQRKESA-N 429.355 4.079 10 20 IICD C[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc2ccccc2c1O 756433256 CNTTXXJHEVKXLW-IBGZPJMESA-N 433.552 4.057 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 756454951 GRYZTVFMGJRJHC-HUUCEWRRSA-N 433.346 4.118 10 20 IICD C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(Cl)c1O 756710785 DSSVBLWLBMTMLL-BONVTDFDSA-N 427.701 4.403 10 20 IICD C[C@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(Br)cc(F)c1O 757613894 VIMGSEXALHAGJR-LBPRGKRZSA-N 436.325 4.169 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC[C@@H]2CCCO2)c1 757732717 NODNKBOEHZWTEF-DEOSSOPVSA-N 437.584 4.493 10 20 IICD CCOc1c(Cl)cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC 761096813 FVAQWCFZOXQDMU-UHFFFAOYSA-N 439.295 4.071 10 20 IICD C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2cccc(Br)c2O)C[C@@H](C)O1 765251786 LORPRXFQZPTMSO-HUUCEWRRSA-N 448.361 4.086 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Br)ccc1F 765256482 UILKULQXEHIGTA-GDBMZVCRSA-N 434.353 4.141 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2ccccc2)nc1O 771056864 HVGKSIXUUIAMKB-LJQANCHMSA-N 437.927 4.208 10 20 IICD CCC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 771661822 UQMVFZVLPIXGQH-UHFFFAOYSA-N 430.507 4.100 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc(N(C)C)cc1 773615357 WIQGKUVCJYBSNK-QRWLVFNGSA-N 432.362 4.359 10 20 IICD O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 775221655 RNEFBFOIYFPTGR-JOCHJYFZSA-N 438.911 4.435 10 20 IICD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783316447 MUGJRTTYPOVOCO-UHFFFAOYSA-N 439.556 4.038 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NOC[C@H]1CCOC1 788121421 GMUWECNDAOERNG-KXBFYZLASA-N 437.462 4.449 10 20 IICD CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cc(Br)ccc2O)cn1 792190756 YGFIJEBHQROGQP-OAQYLSRUSA-N 430.346 4.107 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)o1 796675617 PILMPZHOXKAXGA-NRFANRHFSA-N 448.519 4.415 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 797746809 LWNGECVLDPSALF-UHFFFAOYSA-N 435.210 4.419 10 20 IICD Cc1cc(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)ccc1I 798499236 WSQOXSPMFCDDPD-UHFFFAOYSA-N 432.645 4.157 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)cc2Cl)C1 800049036 LADBJJWECXOUGR-OXQOHEQNSA-N 425.960 4.062 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 807006378 OXTGSFLHEYOHKX-UHFFFAOYSA-N 434.565 4.478 10 20 IICD COCc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)sc1C(=O)OC 807529205 XIYUSLOKYFHVKY-UHFFFAOYSA-N 433.917 4.389 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 808776126 QDPXHJMCIKVPKY-INIZCTEOSA-N 436.474 4.460 10 20 IICD CC(C)c1scnc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 808912837 BODTYJCZPMHSDX-UHFFFAOYSA-N 428.480 4.444 10 20 IICD CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1O 810212871 GDNJTUIQWYGSQF-ACJLOTCBSA-N 430.492 4.463 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(-n3cnc4ccccc43)cc2)SC1=S 814267774 IMQJQIVQDJNOCY-UYRXBGFRSA-N 437.546 4.180 10 20 IICD COCCCn1c(O)nnc1SCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 844261247 GHFUOJMPWFVOKZ-UHFFFAOYSA-N 426.502 4.166 10 20 IICD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc(Cl)c(F)cc2O)N1 877850385 RSHKPVPRGJRNQZ-HSZRJFAPSA-N 426.875 4.394 10 20 IICD COc1ccc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)cc1Br 917616894 ZJNMKRBKBORWNZ-OQLLNIDSSA-N 437.746 4.369 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(CCN2CCCCC2)cc1 918052715 KDSPPNQDHINUHC-UHFFFAOYSA-N 440.563 4.012 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCC3(c4ccc(F)cc4)CC3)cc2F)C[C@@H](C)O1 918210957 BBZZFBFTGCPNPW-IAGOWNOFSA-N 429.511 4.109 10 20 IICD O=C(NCCOc1cccc(Cl)c1Cl)NCc1ccc(N2CCSCC2)cc1 919922787 MWSNEOVDRIAXQU-UHFFFAOYSA-N 440.396 4.425 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COC(C)(C)C)cc1 1794005765 BKMOWAVNLALBFP-UADZTWIMSA-N 437.584 4.161 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)c[nH]2)C3)cc1 1800514813 CQTLCKNXZOJASZ-QQFNCUIESA-N 434.515 4.127 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc2[nH]c(C(F)F)nc2c1 111041935 ZZEHYOQKACOOQU-UHFFFAOYSA-N 425.483 4.285 10 20 IICD COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC(F)F 237472459 RMOZCQURRQTSSX-UHFFFAOYSA-N 446.416 4.442 10 20 IICD CC(C)c1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1ccccc1Cl 437009465 IJWALNVSDSJHFR-UHFFFAOYSA-N 425.920 4.149 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1COc2ccc(Cl)cc2C1 726565099 ALDWLMWMSGQOAW-OAHLLOKOSA-N 436.886 4.278 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCO4)SC2=S)c1 726625748 NQDIYYWLSFFVDY-APSNUPSMSA-N 435.910 4.492 10 20 IICD CCC(CC)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1 726754210 PCBLQDNRIZNGKW-LJQANCHMSA-N 442.003 4.416 10 20 IICD O=C(NCc1ccccc1O)Nc1ccc(Br)c(I)c1 728126333 WXCJUCBTLMVWFP-UHFFFAOYSA-N 447.070 4.081 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 728142459 NWZVEROPBISGPR-UHFFFAOYSA-N 444.409 4.245 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 728234415 JSHKQNUXDHEKRD-XMMPIXPASA-N 447.535 4.458 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729879453 AXUWNGIJBAITMX-UHFFFAOYSA-N 429.389 4.004 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c1 734072902 UCOHRDBSWKBNDE-UHFFFAOYSA-N 442.924 4.460 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC(F)F 734223280 ZUNVOYLEGYWRPG-UHFFFAOYSA-N 430.407 4.063 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 735870456 YPWMCUMKEBZOJF-FQEVSTJZSA-N 426.517 4.137 10 20 IICD C[C@H]1CN(Cc2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)C[C@@H](C)O1 735927387 QVNNQXULVRKJMJ-BGYRXZFFSA-N 434.536 4.437 10 20 IICD O=C(Nc1ccccc1)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 737405549 HAOGBURUJZCLDM-UHFFFAOYSA-N 439.466 4.411 10 20 IICD O=C(Nc1cnn(-c2ccccc2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 741400174 SNMIJQUUBZCHBG-UHFFFAOYSA-N 427.455 4.264 10 20 IICD CCN1CCN(c2ccc(CNC(=O)/C=C\c3cnc(C(C)(C)C)s3)cc2F)CC1 742644377 DTKWHJLSLGLPJS-CLFYSBASSA-N 430.593 4.051 10 20 IICD C[C@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 743565464 WWSIAZIRJCOSPP-PMACEKPBSA-N 425.598 4.408 10 20 IICD Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)N2CCOCC2)o1 745397718 COISPYIXTIUXQW-QFIPXVFZSA-N 441.572 4.211 10 20 IICD CN(C)C(=O)C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)c2ccc(Cl)cc21 745836838 IEMVIIUEYJBKJK-GOSISDBHSA-N 438.959 4.008 10 20 IICD CCCCN(Cc1ccccc1F)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O 746066332 VOXFCWQHFZFKNX-UHFFFAOYSA-N 428.548 4.368 10 20 IICD COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1 747857302 MFEOHYGRKMPTFR-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CN1CCN(c2ccc(CN[C@H](CCC(=O)O)c3ccc(Cl)c(Cl)c3)cc2)CC1 756369555 YSELJVGNKMCWLO-OAQYLSRUSA-N 436.383 4.441 10 20 IICD COc1ccccc1[C@H](N[C@@H](C)c1cc(Br)c(F)cc1O)c1nccn1C 756394364 VZSBNVXVZMUMIE-BUXKBTBVSA-N 434.309 4.476 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nc(-c4cccc(Cl)c4)ns3)CC2)cc1 758046552 UCMSFGAJJUPMRF-UHFFFAOYSA-N 429.933 4.221 10 20 IICD C[C@H](O)C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 759583047 HVWIZRIIDUVKAZ-DFQSSKMNSA-N 447.526 4.111 10 20 IICD CC(C)OCCCc1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 762225910 MSWHSVZKZYAOKV-QINSGFPZSA-N 437.612 4.323 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 765362423 OLSYMXQUGWMYNC-UHFFFAOYSA-N 444.329 4.166 10 20 IICD CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2cc(OC)ccc2c1 765979813 UOXGCHWYDXTASW-VWLOTQADSA-N 438.593 4.324 10 20 IICD C[C@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(N(C)C)cc1 775403137 GQOITFKTMOFBRG-UUOWRZLLSA-N 431.536 4.197 10 20 IICD CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1O 775551029 GNHWXPZSTGQZJU-OAHLLOKOSA-N 433.313 4.122 10 20 IICD CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1O 775732290 MJPKVVWPDMPEAX-SFHVURJKSA-N 426.257 4.209 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CSc3nncs3)c2C)c1 775963372 BCMNUTSPRKDZQX-UHFFFAOYSA-N 433.580 4.186 10 20 IICD COc1cc(O)c(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC 776051726 KPGNNUBDDUGMFV-UHFFFAOYSA-N 425.447 4.266 10 20 IICD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2C)c1 783317087 UFCFQEXVUNKBSG-UHFFFAOYSA-N 447.583 4.239 10 20 IICD COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(OC)c1OC 783481691 BUEROYDHSPVTIQ-INIZCTEOSA-N 449.507 4.028 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1 790986008 PMQDZLQIOBQXCV-GOSISDBHSA-N 431.602 4.229 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)cc1 793577527 UYLRECSIWWMGOU-RYUDHWBXSA-N 430.339 4.499 10 20 IICD O=C1/C(=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)SC(=S)N1Cc1ccon1 794681062 RCUIJDIKSZSOKS-CHHVJCJISA-N 436.440 4.281 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 796277978 GNNHVXJHZFBULL-IBGZPJMESA-N 435.593 4.008 10 20 IICD Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 797110106 UGAYAXUJROCJTE-OAHLLOKOSA-N 438.911 4.413 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(N2CCCCC2=O)CC1 801849606 XLEFUIMSUXPBHJ-UHFFFAOYSA-N 446.599 4.354 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccc(C(F)F)cc3)cc2Cl)C1 807176844 XVKHVXBIAXOITC-OAHLLOKOSA-N 449.929 4.447 10 20 IICD CN(C)c1ccc(CN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 808112812 LSIJGIBBHTUNNS-UHFFFAOYSA-N 434.989 4.150 10 20 IICD CCOc1cc2c(cc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)O[C@H](C)C2 915933827 PMNDZUBULBORBZ-DYESRHJHSA-N 440.540 4.005 10 20 IICD CCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC 917707615 QGMFKPMCDQNPNT-UHFFFAOYSA-N 436.911 4.043 10 20 IICD O=C(NCc1ccc(COc2ccccc2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918216768 UBIGBSZRSFYQGX-UHFFFAOYSA-N 449.526 4.241 10 20 IICD COc1ccc2nc(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccc2c1 919723459 OZIQGDSXPCWEIE-UHFFFAOYSA-N 444.514 4.111 10 20 IICD C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1)c1ccccc1 919970314 VCMVMAKBNNBHPH-FQEVSTJZSA-N 445.563 4.360 10 20 IICD CC1(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCCC1 920747673 PNZPAQCVQOTRTG-UVTDQMKNSA-N 439.400 4.099 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 920869841 BKCQKTWSIXPALJ-JPYJTQIMSA-N 439.556 4.148 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@H]2CCCC[C@H]2C1 1321732968 PVPFRXMPRMTFKC-AEFFLSMTSA-N 425.495 4.264 10 20 IICD Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccccc3OCC(=O)N3CCCC3)S2)c1 32789105 LSXCAXUFBNWYJI-KGENOOAVSA-N 435.549 4.387 10 20 IICD Oc1ccccc1CN(Cc1nc(-c2cccc(Br)c2)no1)C[C@H]1CCCO1 96971088 ZQQUKBZRDVXFPM-GOSISDBHSA-N 444.329 4.386 10 20 IICD Cc1nc(-c2ccsc2)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 726191016 DOXUVIJPZOLZQK-UHFFFAOYSA-N 425.529 4.149 10 20 IICD Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695362 DGWDKVLRGWQMAN-UHFFFAOYSA-N 446.498 4.089 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 726695409 KDGVDQXUPXRCNG-OALUTQOASA-N 438.572 4.099 10 20 IICD O=S1(=O)CCN(c2ccc(CNc3nc(-c4ccccc4)c4ccccc4n3)cc2)CC1 726967793 APHSODJJKKUBAQ-UHFFFAOYSA-N 444.560 4.144 10 20 IICD CN(c1ccc(CNC(=O)NCCCc2nnc3n2CCCCC3)cc1)C1CCCCC1 727601560 CALPWSHVZKPJMM-UHFFFAOYSA-N 438.620 4.205 10 20 IICD COc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1O 727761346 VUGNIMSNBORQII-UHFFFAOYSA-N 431.495 4.155 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729879587 HMTBGHNKEPLGBP-UHFFFAOYSA-N 441.400 4.196 10 20 IICD COc1cccc(C2(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCCC2)c1 731122784 VQMLTHYWQZVDNW-UHFFFAOYSA-N 437.584 4.185 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 732468256 JAZCVXVZIKVNKN-KNQAVFIVSA-N 441.572 4.491 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 734687016 BWMPFEFZKGJIHX-FQEVSTJZSA-N 432.362 4.107 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)nc1-c1ccccc1 734740932 XNSALRRVVBVMOB-UHFFFAOYSA-N 448.570 4.182 10 20 IICD O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1N1CCCCC1 734843554 NYZGMPSWLFBTJQ-NQIIRXRSSA-N 437.462 4.209 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Oc1cccc(F)c1 741099905 MFBUJCNORQELDP-UHFFFAOYSA-N 431.467 4.249 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(OC2CCOCC2)cc1 741915147 XVSZJMLHRUSVKY-UHFFFAOYSA-N 435.568 4.029 10 20 IICD CCOC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 741942600 FWNJAPYMCQCGRC-KNTRCKAVSA-N 443.547 4.423 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 742475834 OFWORWXBVRPNCS-OAQYLSRUSA-N 439.987 4.499 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnc(OCC(F)(F)F)c1 742806228 QQVNCYGJSWQOTC-AWEZNQCLSA-N 445.388 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(CN2CCOC2=O)c1 743098671 PMGQPNDMZUDBHA-UHFFFAOYSA-N 448.317 4.161 10 20 IICD Cc1cc(C(=O)CSc2nnc(OC(C)C)s2)c(C)n1-c1ccc2c(c1)OCCO2 743817932 UOVHIDQWPYUWGC-UHFFFAOYSA-N 445.566 4.479 10 20 IICD CCN(CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1cc(Br)ccc1O 743873044 HFNOZZQZLPNKKX-UHFFFAOYSA-N 447.373 4.176 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(CCc3ccccc3)C3CC3)cc2F)C[C@@H](C)O1 746947001 SXLBCLBCPYQQMX-RTBURBONSA-N 425.548 4.356 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)o1 748091862 ODBDCXUHIRCPFC-UHFFFAOYSA-N 446.428 4.399 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748705497 KUDGYOCORLUNCE-UHFFFAOYSA-N 426.473 4.382 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(F)(F)F 750897183 XWYHCXLULUFCKE-ZROIWOOFSA-N 449.472 4.092 10 20 IICD CCc1ccc(CC)c(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 752097268 PSSBMMKHSSLBLI-UHFFFAOYSA-N 445.510 4.137 10 20 IICD Cc1cc([C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccnc2)ccc1F 753623430 HHQSZONSMJSRRM-RDGATRHJSA-N 432.543 4.110 10 20 IICD COc1cc(OC)cc([C@H](O)CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756589211 KFBMIEJXYJXKPG-BMLIUANNSA-N 430.726 4.210 10 20 IICD O=C(NCc1cccc(Br)c1O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 765751773 SFDOGSWXOJNJBG-UHFFFAOYSA-N 434.271 4.116 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@@H]1c1cccc(Br)c1 765756890 OAOUKMWMIGPDDG-ZIAGYGMSSA-N 425.120 4.337 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)cc1F 767357919 JNZUEDFPAQLEFA-LHHJGKSTSA-N 425.304 4.398 10 20 IICD C[C@@H](NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccc(N2CCOCC2)cc1 772359360 MDSCECOKWOBBGY-QGZVFWFLSA-N 438.959 4.418 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C2CC2)cc1 775215499 BKVCIOZDXFPRSU-QFIPXVFZSA-N 425.960 4.165 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 775727077 HMPRCYOXOZXBDG-LJQANCHMSA-N 433.911 4.029 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nn1C1CCCCC1 776308848 WLYGOAIOGDXGFY-HDICACEKSA-N 428.552 4.379 10 20 IICD CO[C@@H]1Cc2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1 784080189 YCTAAQZJQQJPLE-FOIQADDNSA-N 440.499 4.015 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 785192410 LSLDEEAEDHCIQM-UHFFFAOYSA-N 445.235 4.161 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 788929017 DXUYBZCLZWDUNQ-UHFFFAOYSA-N 445.538 4.271 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)C2CC2)cc1 789381321 BUAYRLNZTKTXNK-ZWOKBUDYSA-N 438.597 4.242 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCc1ccc(N2CCOCC2)cc1 790542988 UFDHQFZBCUYUJR-UHFFFAOYSA-N 439.556 4.119 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 795613475 YQIKOLVWIMOJNI-UHFFFAOYSA-N 431.904 4.243 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccccc3Br)CC2)cc1 797445109 OJEHJWRKXHXQQH-PZJWPPBQSA-N 444.373 4.282 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3c(Cl)ccc4c3CCO4)cc2F)C[C@@H](C)O1 797666258 KIFTTXYQHJQVFD-OKILXGFUSA-N 433.911 4.349 10 20 IICD CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 799994455 MDFWAUDQIOWIFB-QGZVFWFLSA-N 435.012 4.023 10 20 IICD CCCCN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1O 801596406 YMRZPEMPLXPCHM-UHFFFAOYSA-N 447.461 4.233 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)cc2)CC1 805024104 AMKUQVYWOIBPEP-KRWDZBQOSA-N 429.511 4.037 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C2CC2)cc1 813803781 OWKRNCFQYDUNSH-NRFANRHFSA-N 442.604 4.216 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)[C@@H]1OCCc2sccc21 814679965 UMWNCMTVMMJRRN-WGGBDISSSA-N 428.598 4.272 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H](c1ccccc1)C1CC1)c2[N+](=O)[O-] 824260818 BXUYJYQGGFKJJV-NRFANRHFSA-N 426.428 4.251 10 20 IICD CCN1CCN(C(=O)c2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CC1 864002876 UXEHOSZABBVMNC-UHFFFAOYSA-N 434.506 4.161 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2cccs2)n1C 915118043 JYBMKODZYHNOPK-UHFFFAOYSA-N 429.615 4.139 10 20 IICD O=C(CCc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457446 DRCWQNMONDFSOR-UHFFFAOYSA-N 426.866 4.444 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc4c(cc3Cl)OCCO4)cc2F)C[C@@H](C)O1 916672986 ANAUVANFDLSWKF-OKILXGFUSA-N 449.910 4.186 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1Br 918074269 YYYXVQUJLOJSFD-GOSISDBHSA-N 427.346 4.398 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 918091665 NRXMHVWEDBAEAC-UHFFFAOYSA-N 439.556 4.463 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1ccc(Cl)cc1 918220377 CQOXQCFIQLWMDQ-NRFANRHFSA-N 431.939 4.487 10 20 IICD Cc1cc(C(=O)NCCc2nc(C(C)C)no2)c(C)n1-c1cccc(Br)c1 1318383524 UTDOBJJYIFVTCZ-UHFFFAOYSA-N 431.334 4.336 10 20 IICD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)ccc1F 1790664661 NAILKAYLZKBHOW-UHFFFAOYSA-N 435.455 4.002 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)c2C)cc1 115911597 IOBJYIZEVDRASU-LJQANCHMSA-N 441.572 4.480 10 20 IICD Cc1c(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n(C)c2ccccc12 471231667 LFFLUOHMAWYXNN-UHFFFAOYSA-N 434.565 4.223 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3OCc3csc(C)n3)CC2)cc1 726560853 SSLPWSLZUTXZJQ-UHFFFAOYSA-N 437.565 4.438 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1OC 726628227 ZWWAKEMNNHJDDP-HMMYKYKNSA-N 428.579 4.432 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)n1 727251302 RHJQQDOSILYLTH-UHFFFAOYSA-N 437.502 4.338 10 20 IICD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccc(OC)c2O)c1 727761356 WOQSJNKWZFBAJW-UHFFFAOYSA-N 443.503 4.251 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 728836258 YCJPQFKDFPRRSR-UHFFFAOYSA-N 438.325 4.193 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 728836650 ALFVKQGGBYVTFQ-UHFFFAOYSA-N 447.417 4.051 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)cc1 730669310 YBZCDIAZNCPCBU-UHFFFAOYSA-N 441.532 4.067 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 730909504 PAYDRQLVYNZBON-OAQYLSRUSA-N 430.593 4.218 10 20 IICD O=C(NCCc1csc(N2CCCC2)n1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737307920 METBPGMBQFNNRH-UHFFFAOYSA-N 448.552 4.456 10 20 IICD Cc1cc(C(=O)Nc2ccc(CNC(N)=O)cc2)c(C)n1-c1ccc(Br)cc1 742385597 URSRDXRWDKJPDX-UHFFFAOYSA-N 441.329 4.277 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(F)c(Br)c3)cc2F)C[C@H](C)O1 742558054 ZUKUPIQMNQGFHJ-STQMWFEESA-N 439.300 4.271 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 743889056 JPVNJNOKHASWKZ-UHFFFAOYSA-N 431.536 4.067 10 20 IICD COc1ccc2c(c1)CN(C(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CC2 745904121 LZHGBOIBYGSYET-SFHVURJKSA-N 431.483 4.033 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)n2)o1 747750146 JCQGVOPEBDKHSM-UHFFFAOYSA-N 439.584 4.199 10 20 IICD C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(N2CCOCC2)cc1 749788282 FQPNKSQXNOCRDT-GFCCVEGCSA-N 425.273 4.055 10 20 IICD Cc1nc(Cl)ccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 752017541 YTWJBUCBAKEIQX-GOSISDBHSA-N 432.952 4.105 10 20 IICD CC(C)c1cccc(-n2cc(O)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n2)c1 752801380 YGMBCMILCHFLJJ-OAQYLSRUSA-N 435.524 4.228 10 20 IICD COc1cc(OC)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 755832139 ALAZIXJBYXMDGS-CYBMUJFWSA-N 439.434 4.235 10 20 IICD Cc1nccn1C[C@@H](C)CN[C@@H](C)c1cc(Br)cc(Br)c1O 756534071 KJDJWNZUGNRFQE-QWRGUYRKSA-N 431.172 4.409 10 20 IICD O=C1C[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CN1Cc1ccccc1 759683628 OYMIJVZDOATHMF-OAQYLSRUSA-N 435.568 4.285 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)cc(OC)c1OC 760119113 XATJLGGOKXVGHS-HSZRJFAPSA-N 439.556 4.004 10 20 IICD COc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)cc1C 761937313 ZVWKMWICVAYQCB-UHFFFAOYSA-N 443.506 4.289 10 20 IICD COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)c2C)cc1 764410949 DIRXYCNCHYOFKW-YBFXNURJSA-N 425.535 4.492 10 20 IICD COc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1OC1CCCC1 764779512 IZPPSPQGXAAHTK-UHFFFAOYSA-N 449.345 4.484 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)CC2)cc1F 768984538 ZUTTWZFTRUBQQZ-SFHVURJKSA-N 443.416 4.499 10 20 IICD CCN(Cc1cc(Br)ccc1O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 769539481 KJXPIPDCBRGIIO-UHFFFAOYSA-N 445.317 4.486 10 20 IICD CC[C@H](C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F 772533729 VRWVCAATWJKSLB-LRDDRELGSA-N 441.416 4.318 10 20 IICD Cc1cnc(O)n1-c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 772779675 OVONINQQBMTPKE-UHFFFAOYSA-N 432.446 4.157 10 20 IICD COc1cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(Br)c1OC 773266161 NWYARADOPSAHQA-ZDUSSCGKSA-N 436.350 4.093 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc(Oc2ccccc2)cn1 773296440 CMMLOWUUDLZJLR-UHFFFAOYSA-N 440.450 4.269 10 20 IICD CN1C(=O)CCc2cc(/C=C3\SC(=S)N([C@@H]4CCOc5ccccc54)C3=O)ccc21 773896468 FYZBUMUUKUGYGU-RXWSAZGZSA-N 436.558 4.321 10 20 IICD O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 775654196 HYJYCHKSZXBURA-NSHDSACASA-N 442.716 4.193 10 20 IICD CCN(CC)C(=O)COc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 777096869 ZOWAYSKYRFQEOD-SFHVURJKSA-N 429.536 4.083 10 20 IICD O=C1/C(=C\c2ccc3cnccc3c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 779203870 MLDJSZZQGBNTRU-FYJGNVAPSA-N 434.542 4.450 10 20 IICD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 782754756 MYLXLPMZEALRSF-INIZCTEOSA-N 447.557 4.326 10 20 IICD CCc1ccc(C(=O)Nc2sccc2C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 783041237 GAAOBTDRIMYCHN-UHFFFAOYSA-N 425.462 4.014 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H](c2ccccc2)c2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 783280334 VBTWGJMPHUMING-VXKWHMMOSA-N 435.572 4.421 10 20 IICD Brc1ccc(CNCCCSc2nccs2)c(N2CCOCC2)c1 788966937 YZJBYYQEULDNEF-UHFFFAOYSA-N 428.421 4.014 10 20 IICD C[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2)c1ccc(N(C)C)cc1 789744177 OFEGYKLVOVAIID-HOCLYGCPSA-N 428.602 4.176 10 20 IICD Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C(C)C 790364437 BDLVGFCOFSYVHQ-UHFFFAOYSA-N 436.531 4.210 10 20 IICD CCOCc1cc(CNCc2noc(-c3cccc(Br)c3)n2)ccc1OC 790941558 ZOCPPEDAPABUEY-UHFFFAOYSA-N 432.318 4.334 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 793414163 URMYRLJHYJYMCC-UHFFFAOYSA-N 442.604 4.384 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CC2)cc1 794995156 MCGXFGZSWCYHFG-LEWJYISDSA-N 434.458 4.436 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 796277983 GNNHVXJHZFBULL-LJQANCHMSA-N 435.593 4.008 10 20 IICD O=C(NCCCSc1nccs1)N(CCn1ccnc1)Cc1cccc(Cl)c1 797475485 DEWTZKHHLULYFZ-UHFFFAOYSA-N 436.006 4.387 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(-n4ccnc4)nc3)cc2Cl)C1 799861921 TYVIIKCITVYHBX-KRWDZBQOSA-N 438.963 4.156 10 20 IICD Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 807511673 SJUGQNFPIZEGMX-UHFFFAOYSA-N 436.320 4.386 10 20 IICD CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513262 WRNDAUKDODUNRQ-UHFFFAOYSA-N 429.275 4.270 10 20 IICD O=C(N[C@H]1CCOC2(CCCCC2)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 808118389 DGUPHGIFXLIVGQ-FQEVSTJZSA-N 428.573 4.052 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 808273781 GNFRYKNZKHVHJB-OAQYLSRUSA-N 447.457 4.245 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1cc(Cl)cc(C)c1O)CC2 808705933 VLEDWJVACNOHCV-MRXNPFEDSA-N 446.975 4.387 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 813025965 GRDSMDJGPSLRBZ-QHCPKHFHSA-N 443.507 4.246 10 20 IICD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2cc(Cl)c(F)cc2O)c1 816552919 BHYWGOOXRHHLII-UHFFFAOYSA-N 436.892 4.065 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 916461567 BXCOPNVHWYBFLZ-XMMPIXPASA-N 434.584 4.182 10 20 IICD COc1cc(C(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)ccc1C 916486734 JNJWQVNOUKCWGH-UHFFFAOYSA-N 431.536 4.009 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(-c2ccccc2)cc1OC 917619293 IYSHXGZGPAOTEM-UNOMPAQXSA-N 443.546 4.437 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3coc(-c4cccs4)n3)cc2F)C[C@@H](C)O1 918200391 GILASJDRKNYNQB-GASCZTMLSA-N 444.532 4.155 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 920187501 FBFGRTAOQQIGCD-UHFFFAOYSA-N 432.524 4.236 10 20 IICD CC(=O)NCc1ccc(C(=O)COC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 920662428 OIQMMHAVPUJXSE-UHFFFAOYSA-N 438.911 4.423 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)CC2)cc1 1319624726 WJSFMTWDPUIVHB-UHFFFAOYSA-N 438.572 4.276 10 20 IICD Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc2c(c1)OCCO2 9581186 IYHZNNJXDNWYFS-UHFFFAOYSA-N 431.448 4.177 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Cn2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 9932580 GKNYGHQEEVWNLE-UHFFFAOYSA-N 439.585 4.121 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Br)CC2)cc1 108431486 WHNPZZQTKAWLPX-QGZVFWFLSA-N 447.373 4.272 10 20 IICD O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565972 JJDOEDSVUJJJFX-UHFFFAOYSA-N 437.468 4.074 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc3sc(C)nc3cc2OC)cc1 726855715 UUNWSPPKEYYTQE-UHFFFAOYSA-N 440.569 4.057 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)SC2=S)cn1 726986564 SQBNVHJIQVPVCR-ZSOIEALJSA-N 437.340 4.267 10 20 IICD C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 727057033 LXSMZRRPKVYPJY-HZPDHXFCSA-N 432.362 4.407 10 20 IICD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1cccc(OC)c1O 727761281 SWHRXHYIZOEQIP-UHFFFAOYSA-N 429.476 4.192 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc(NC(=O)c4cnn(C)c4)cc3)ccc21 728523314 ZFGVWYACZSQWOS-UHFFFAOYSA-N 446.507 4.110 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC3(c4ccc(F)cc4)CCC3)cc2F)C[C@@H](C)O1 728746547 WPDFXLOLOQUTIA-CALCHBBNSA-N 429.511 4.457 10 20 IICD COc1cccc(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1O 729859429 PRTLRZGXVQKDJJ-UHFFFAOYSA-N 442.581 4.119 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccccc3OC)cc2F)CC1 730133872 IUMDIYIHXWVGDQ-JOCHJYFZSA-N 440.563 4.023 10 20 IICD COc1cc2cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)[nH]c2c(OC)c1OC 731015287 LUSOZWPEULZRCN-UHFFFAOYSA-N 437.540 4.360 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1F 731402968 AOWPQMJUFUJUFW-UHFFFAOYSA-N 449.530 4.319 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc(N(C)S(C)(=O)=O)cc2)cc1 732232659 PFAHSBSPOXBRCE-UHFFFAOYSA-N 437.609 4.399 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 734402249 JYZCFQDLZLJAFQ-IFMALSPDSA-N 447.501 4.306 10 20 IICD C[C@@H]1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC[C@@H]1NC(=O)OC(C)(C)C 740856831 LLHTXBZZRWHALU-UZLBHIALSA-N 440.540 4.064 10 20 IICD CCN(CC(=O)N(C)Cc1ccc(Cl)s1)Cc1cc(Br)ccc1O 743870856 DUAYYRFKHVUXRK-UHFFFAOYSA-N 431.783 4.350 10 20 IICD CC(C)(C)n1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 744061120 ZPRPFYZABOEBJY-GDNBJRDFSA-N 434.612 4.320 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cc1 747544834 OXKFWBPPFBJIMF-SSEXGKCCSA-N 429.517 4.456 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3Br)cc2F)C[C@H](C)O1 749145240 VYIPSMURNIFCAM-RYUDHWBXSA-N 439.285 4.117 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3nncn3c2)c(C)n1-c1cccc(C(F)(F)F)c1 749408815 LLIDGYCLYKYVTF-UHFFFAOYSA-N 442.397 4.195 10 20 IICD COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1O 752597442 WWCKVEPZGQGPRK-FOIQADDNSA-N 448.922 4.198 10 20 IICD COc1cc(N2CCN(C(=O)c3sc4cccc(F)c4c3C)CC2)cc(OC)c1OC 759237264 IBMZPPOMMDTIPT-UHFFFAOYSA-N 444.528 4.337 10 20 IICD COc1cc2c(cc1NCC(=O)Nc1cc(-n3nnnc3C)ccc1F)oc1ccccc12 760448111 KFTYJVLVSKHFNL-UHFFFAOYSA-N 446.442 4.068 10 20 IICD CN(C)c1ccccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 762170308 MISVYPBSKSUJDE-AQTBWJFISA-N 445.635 4.112 10 20 IICD C[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 766571269 DRGQFOCCTXFFNB-TZIWHRDSSA-N 442.003 4.061 10 20 IICD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])c(OC)c1O 774834146 AKSUNEGERPMBCU-UHFFFAOYSA-N 428.272 4.076 10 20 IICD COc1cc(Br)cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O 775039815 NQRHJIGIFZXHLM-WFASDCNBSA-N 429.355 4.041 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1O 775051095 MTDRKFIIYGPZNW-UHFFFAOYSA-N 429.473 4.214 10 20 IICD COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Br)c1 776158760 UKOZNJRUFKAIIL-NVXWUHKLSA-N 446.389 4.010 10 20 IICD COc1cc(N2CCN(C(=O)C[C@@H](C)c3c[nH]c4ccccc34)CC2)cc(OC)c1OC 784797201 GTABPXAKMJXULU-QGZVFWFLSA-N 437.540 4.036 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccnc(Oc2ccc(F)cc2F)c1 788741524 IAQQUSPWUDPAIG-UHFFFAOYSA-N 443.425 4.058 10 20 IICD C[C@@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1ccc(N2CCOCC2)cc1 790691964 USNLMTWMSRXDPE-MRXNPFEDSA-N 444.373 4.115 10 20 IICD CC(C)(C)c1cc(CNCc2ccc(S(=O)(=O)CCO)cc2)c(O)c(C(C)(C)C)c1 791006218 DUYHEAAOWVBAMU-UHFFFAOYSA-N 433.614 4.043 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 795549916 SPDSBKONYZYOEO-UHFFFAOYSA-N 430.551 4.255 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c1 795559567 JPDVBOOSBSTVMR-UHFFFAOYSA-N 440.493 4.353 10 20 IICD Cc1cccc(CCCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 804145106 XGYIYSCUBISILS-NBVRZTHBSA-N 445.635 4.182 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cc(F)c(C(F)(F)F)cc3F)CC2)cc1 806055457 FXUIFSMOHSPEFE-UHFFFAOYSA-N 443.416 4.460 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 915082465 LAXJQRSSSRZDLK-UHFFFAOYSA-N 435.549 4.018 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nncn1-c1cccc(Cl)c1 915264999 QXJJVLBKSQLBOY-UHFFFAOYSA-N 429.977 4.128 10 20 IICD CC(C)OC(=O)C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 916220099 UYNKNPWCUOXENJ-QFIPXVFZSA-N 441.597 4.122 10 20 IICD O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2c(c1)OCCO2 916231154 HIUMWGALZDPYKH-RUZDIDTESA-N 443.503 4.066 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3ccccc3COc3ccccc3)CC2)cc1 917829212 AUNHBIBBBVUPMT-UHFFFAOYSA-N 431.536 4.035 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3c3cccc(C)c3)CC2)cc1 918058586 UJLUHLZCEMJQPD-VWLOTQADSA-N 436.600 4.062 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)cc1Cl 919969001 AHPPBPQGJCKLKM-UHFFFAOYSA-N 441.728 4.133 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1 1792301192 LJIXOSRDUMSOKD-RIYZIHGNSA-N 444.487 4.265 10 20 IICD CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)c1ccccc1 1845500600 SKAORJVYFUONSU-HXUWFJFHSA-N 442.943 4.008 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)cc1 105443396 JKNZCRHDKSYTAL-UHFFFAOYSA-N 425.916 4.285 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)cc1F 726629644 PGYAVXIZCIVDJL-CXUHLZMHSA-N 435.498 4.266 10 20 IICD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731132232 VVSHOOCOZIPMOR-UHFFFAOYSA-N 434.584 4.086 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1F 731346011 PHEHOIPUSXWGKK-ZDUSSCGKSA-N 440.346 4.413 10 20 IICD Cc1ccc(C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 734525706 QFQDVIPBPGKSOY-VWLOTQADSA-N 430.552 4.010 10 20 IICD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742423529 NZIITCNBKYCFKH-HNNXBMFYSA-N 446.454 4.169 10 20 IICD CC(=O)c1csc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742748911 ANCHMTYHHYQFDH-SFHVURJKSA-N 431.558 4.013 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1OCc1cn2ccccc2n1 743717295 LAZVOLZSNGECRR-UHFFFAOYSA-N 427.504 4.428 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(CCCCCC4)C3)cc2)C1 745692790 ZUVAWYWVTBDFOT-NRFANRHFSA-N 426.605 4.034 10 20 IICD Cc1ccccc1CN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 746114877 YQISVEDGDSOMHD-WOJBJXKFSA-N 439.575 4.029 10 20 IICD CC1(C)CC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21 746969838 OMVZFAOJPSNYJD-XXBNENTESA-N 434.584 4.000 10 20 IICD COc1cc(N2CCN(C(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc(OC)c1OC 759935327 XZOUIRJNKWQRGH-UHFFFAOYSA-N 433.936 4.337 10 20 IICD O=C(N/C(=C\c1cccnc1)C(=O)N1CCc2c1cccc2C(F)(F)F)c1ccccc1 760130782 ZUYITQUHVSHUDR-ZHZULCJRSA-N 437.421 4.461 10 20 IICD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(C)c1 761839176 PSXQWSVCXNSRSU-UHFFFAOYSA-N 447.583 4.108 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 763005114 PIVDUVFVQZGWFX-UHFFFAOYSA-N 432.612 4.485 10 20 IICD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C 768067859 JYCRVIBKTLIBCZ-UHFFFAOYSA-N 431.536 4.436 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3cscc3Cl)SC2=S)c1 771852105 YOHZPCORXZMXMR-NSIKDUERSA-N 445.012 4.058 10 20 IICD CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnc1-c1ccccc1 773762149 FQVMFRDEEMVCFI-JKSUJKDBSA-N 440.569 4.167 10 20 IICD CN1CCN(c2ccc(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2)CC1 775668968 BKJYQXZSYPZLCM-NRFANRHFSA-N 435.547 4.007 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1F 776035718 LLCHHVORFPTGMI-UHFFFAOYSA-N 443.491 4.335 10 20 IICD Cc1csc2ncc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(=O)n12 776463611 OPOKJUWQBMUENT-UHFFFAOYSA-N 447.476 4.275 10 20 IICD O=C(NCCCCCc1ccc(F)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 777704697 RUHAERJZHACSQJ-UHFFFAOYSA-N 431.527 4.138 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)cc3)SC2=S)c1 782188652 LOMLDRHOUHWAEC-WOJGMQOQSA-N 429.519 4.043 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c12 783676237 GXFDDQHJWGAMHR-IBGZPJMESA-N 441.959 4.249 10 20 IICD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c1 785193770 GPALPZZFODVSDE-CQSZACIVSA-N 449.345 4.319 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1 790606818 BOHJUQCMLKAEKT-UHFFFAOYSA-N 436.455 4.306 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2c(F)cccc2Br)SC1=S 794870302 STPKVGBJWWMHDX-UKTHLTGXSA-N 432.336 4.434 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCN1CCCCC1 800127477 UDFWNIOLYSBNNX-BMRADRMJSA-N 438.640 4.149 10 20 IICD CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1C 800635876 AGKVWADXSOIRQI-HZPDHXFCSA-N 445.995 4.307 10 20 IICD Cc1cc(NC(=O)NCc2cccc(Br)c2O)nn1-c1ccc(F)cc1F 808894720 NHLUIFVJFFOWAT-UHFFFAOYSA-N 437.244 4.249 10 20 IICD Cc1cc(C(=O)Cn2ccc(=O)c3cnn(C)c32)c(C)n1-c1cccc(C(F)(F)F)c1 810004279 KXOALPHBGUJJNY-UHFFFAOYSA-N 428.414 4.044 10 20 IICD C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1 812437088 QRPJIJZPWXTSRI-IEBWSBKVSA-N 440.519 4.468 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 812985465 CIZPZYSTQQMJGW-DEOSSOPVSA-N 436.512 4.061 10 20 IICD O=C(c1cnc(Cl)c(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 816921699 DWBCHZRVTSPMSZ-AWEZNQCLSA-N 425.710 4.025 10 20 IICD COc1cc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1OC 917361382 HVHXTFXZIVAZNC-UHFFFAOYSA-N 425.481 4.173 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(COc2ccc(F)cc2)n1 917386843 ZUSBQQLOFNIQRQ-UHFFFAOYSA-N 443.569 4.344 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)C2CC2)cc1 918031042 HOWUNPLZEGOAOQ-UHFFFAOYSA-N 444.601 4.026 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1 918712408 LASMLALXAKKBFQ-NTEUORMPSA-N 425.457 4.131 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1 920056482 SPIRUJUHQIDCSU-RUZDIDTESA-N 449.526 4.260 10 20 IICD O=C(CCOc1cc(Cl)ccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1 1318962091 CQSIAARFSULSPM-UHFFFAOYSA-N 437.367 4.287 10 20 IICD O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1 28381008 HIUWCRBCGYFIRY-UHFFFAOYSA-N 438.892 4.425 10 20 IICD CCOC(=O)c1sc2nc(C)nc(N3CCCN(c4ccc(OC)cc4)CC3)c2c1C 108089473 ADAMLEJUDNCVHN-UHFFFAOYSA-N 440.569 4.210 10 20 IICD Cc1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(O)c1O 116718430 WKBXQUXFVITCTF-FQEVSTJZSA-N 425.868 4.122 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1Cl 302793971 RYAZZXDBWJZKIV-UHFFFAOYSA-N 439.902 4.490 10 20 IICD CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)cc1 502500869 KBXGEHOJUUUAKD-UHFFFAOYSA-N 449.576 4.417 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1oc2ccccc2c1CS(C)(=O)=O 726500531 BHKSRZRJQOHBBS-UHFFFAOYSA-N 428.554 4.094 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cccc(Cl)c2F)nc1-c1ccccc1 727249545 ALNYZRLTVSEHAS-UHFFFAOYSA-N 440.905 4.119 10 20 IICD CC(C)(C)COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 729096159 NQYZPBYVEXFTJJ-JYRVWZFOSA-N 428.373 4.240 10 20 IICD CCN(CC)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 729531259 IHMMGSPVXSGXBF-QFIPXVFZSA-N 431.527 4.456 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730126023 UHVNVCVKEFMEFW-JOCHJYFZSA-N 442.579 4.317 10 20 IICD O=C(NC[C@@H]1CCOc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731223654 PAHXWAOMOFDTRA-INIZCTEOSA-N 431.483 4.122 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(Sc4ccccc4)CCCC3)cc2)C1 731976804 BFKUVKDEEVIPBZ-FQEVSTJZSA-N 437.609 4.110 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1 740812184 WMEKRIILMXXVAE-WYMLVPIESA-N 428.963 4.294 10 20 IICD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 741570149 OGEPXNKNQXFDET-UHFFFAOYSA-N 427.570 4.024 10 20 IICD O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1ccc(N2CCCCC2)cc1 742475827 ZSTKNYDYTSIXDM-UHFFFAOYSA-N 433.508 4.217 10 20 IICD CC1CCN(c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn2)CC1 742800722 LMIIOKZKFVVVRG-LJQANCHMSA-N 444.526 4.318 10 20 IICD CC(C)N(C)CC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745904099 LPZQCOCGCHTMDD-LJQANCHMSA-N 438.563 4.019 10 20 IICD C[C@@H](Sc1nnc(C2CC2)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746394127 OFNZHSDZCVNKCN-LLVKDONJSA-N 435.530 4.310 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 753199736 WECUYTNBXICTIB-NRFANRHFSA-N 434.588 4.318 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3c(Cl)nc4sccn34)n2)ccc1F 753977725 IWQYIFPLKJDSHT-UHFFFAOYSA-N 428.923 4.421 10 20 IICD C[C@H]1C[C@H](NCc2cccc(OCCN(C)C3CCOCC3)c2)c2c(O)ccc(F)c21 756539170 JHENEDWWXJJEBM-JTSKRJEESA-N 428.548 4.359 10 20 IICD COc1cccc([C@H](O)CN[C@H](C)c2cc(Br)cc(Br)c2O)c1 756563802 NDGREKBRRSQWGH-QLJPJBMISA-N 445.151 4.310 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)cc2cccnc12 758160369 ZVLARUFBYYNECV-UHFFFAOYSA-N 440.341 4.106 10 20 IICD COc1cc(N2CCN([C@H](C)C(=O)Nc3ccc4ccccc4c3)CC2)cc(OC)c1OC 759873168 QZPNDJZWYDCXKG-GOSISDBHSA-N 449.551 4.015 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cc(F)ccc2Br)SC1=S 761176942 PUNIMYCAKZUZMV-LCYFTJDESA-N 432.336 4.434 10 20 IICD COc1ccc(N2CCC(NCCCCN3CCN(c4cccc(C)c4)CC3)CC2)cc1 764767316 IARILLCLXKBVID-UHFFFAOYSA-N 436.644 4.164 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 764863029 GLGPOIWXALBUSY-AREMUKBSSA-N 432.564 4.062 10 20 IICD Cc1ccnc(N2CCN(Cc3c(O)ccc4c(=O)c(-c5ccccc5)c(C)oc34)CC2)c1 765141922 PZRNXEMBWPXYRR-UHFFFAOYSA-N 441.531 4.500 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(OC2CCCCC2)cc1 765902789 DNMIUNSOMYYVDQ-UHFFFAOYSA-N 447.329 4.121 10 20 IICD O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCc1cccc(Br)c1O 766201308 QTJBEYPIQVNGEF-UHFFFAOYSA-N 425.131 4.081 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1 770151651 AONRVQKUAVZWFK-UHFFFAOYSA-N 436.600 4.343 10 20 IICD CC[C@@H](NC1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1O 775491942 JDBJCEOWVVYZRH-HXUWFJFHSA-N 446.389 4.299 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C2CC2)cc1 776036832 ZHNAKJXWECDTEL-UHFFFAOYSA-N 437.512 4.290 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 783316055 KMJSFMFMVLKELY-UHFFFAOYSA-N 425.426 4.286 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)c1ccc(N)cc1 783486818 REDYSVWVJHCZDI-GOSISDBHSA-N 425.492 4.187 10 20 IICD COc1ccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(O)c1 794391005 SRRVBVPDUZUEOA-UHFFFAOYSA-N 436.295 4.397 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3nc4c(s3)CCCC4)cc2Cl)C1 800637033 SIADEXUPWNOWOU-CQSZACIVSA-N 447.004 4.167 10 20 IICD O=C(NCC1(c2ccc(Cl)cc2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804461437 ZZNQFAWAXSORFH-UHFFFAOYSA-N 438.911 4.015 10 20 IICD C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 804784568 PMCZUOUYKYANBR-HNAYVOBHSA-N 442.562 4.478 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)n1 807512378 UWISXSCJQZWSFN-UHFFFAOYSA-N 434.279 4.226 10 20 IICD Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 807754342 DILAJYOSLGYUGK-UHFFFAOYSA-N 435.490 4.133 10 20 IICD Cc1cc(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br 810193298 QSUYYBQRLATFMH-UHFFFAOYSA-N 431.374 4.188 10 20 IICD CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1csc(-c2cc(F)ccc2F)n1 811361913 DTILFDXMTYBRQC-UHFFFAOYSA-N 433.432 4.203 10 20 IICD CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811705131 PEQWXGBENGXRHE-UHFFFAOYSA-N 444.347 4.279 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@H]1OCCc2sccc21 813871674 QCNMCIPHSYDUTP-KZULUSFZSA-N 439.375 4.450 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 815730456 HUFHWVOFGQUMGG-UHFFFAOYSA-N 440.559 4.314 10 20 IICD O=S(=O)(NCC(F)(F)F)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 863994971 NUDZAFLEGIUONZ-UHFFFAOYSA-N 429.247 4.152 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1Br 914439221 GQHUJPAKQDURPS-UHFFFAOYSA-N 433.346 4.337 10 20 IICD CCOc1cc2c(cc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)O[C@@H](C)C2 915933829 PMNDZUBULBORBZ-LAUBAEHRSA-N 440.540 4.005 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917710592 KJOPXNZGBAKVBK-IYBDPMFKSA-N 439.535 4.003 10 20 IICD Cc1nc2cc(F)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2nc1C 917712228 VZRKCHVXVYLYLD-OKILXGFUSA-N 440.494 4.068 10 20 IICD Cc1sc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)nc1-c1ccc(F)cc1 917850433 IAXFRKLEKXMAMX-UHFFFAOYSA-N 435.477 4.082 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)cc1 918429979 RJKFZBDADWOCRI-UHFFFAOYSA-N 432.362 4.167 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(OCCn4cncn4)c3)c2C)cc1 918616784 MFMOMIMYQTYSBY-UHFFFAOYSA-N 431.496 4.026 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cc(C)nn1C 14706078 WZMQOOMGMPJRAB-UHFFFAOYSA-N 434.363 4.105 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cc(Br)ccc2O)cc1 109873894 JNRCZAIBFAGUPM-CQSZACIVSA-N 441.391 4.036 10 20 IICD CCC[C@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1nnc2ccccn12 435683243 OSUMBKGYBARYNL-NRFANRHFSA-N 444.583 4.108 10 20 IICD CSc1cc2c(cc1NC(=O)NCc1ccc(N3CCSCC3)cc1)OCCO2 726078724 OSTDWEBFNQFSCE-UHFFFAOYSA-N 431.583 4.055 10 20 IICD O=C(Nc1cccc(-c2cccs2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 726287887 QCMZEARULSLQFX-HXUWFJFHSA-N 436.533 4.267 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)c1 726628122 UGVPINPNVCDWRW-MDWZMJQESA-N 426.313 4.465 10 20 IICD CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc2O1 727384962 VOHZZEYASKROTK-HSZRJFAPSA-N 446.551 4.202 10 20 IICD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 728137982 NOFAVFJQKWWANX-UHFFFAOYSA-N 449.526 4.376 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1n[nH]c2ccc(F)cc12 728284657 YOGBSXUDWHMXRN-GDNBJRDFSA-N 446.554 4.384 10 20 IICD CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 729576186 QFFATMFHZCXEGP-MRXNPFEDSA-N 447.004 4.475 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2F)C[C@@H](C)O1 734857462 GXBQYICJHWZXOF-DHYLWCPWSA-N 433.474 4.073 10 20 IICD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1OC 739598677 JGKZPBMBEHUSGA-UHFFFAOYSA-N 443.500 4.117 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 742749410 GWCSMPPMKCBFSB-JOCHJYFZSA-N 436.556 4.159 10 20 IICD O=C(Nc1cc2c(cc1Cl)OCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743083678 JDWIOJYYQMQAAI-LBPRGKRZSA-N 439.846 4.461 10 20 IICD C[C@H]1CCCCN1CCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743547240 BUHZGLTYJRTMBM-RBUKOAKNSA-N 438.563 4.211 10 20 IICD Cc1ccccc1O[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 743676008 VURWDHAAGARXDM-QGZVFWFLSA-N 433.499 4.332 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 748229572 HAIVXQLTGABQNY-UHFFFAOYSA-N 447.436 4.346 10 20 IICD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)o1 750828530 YGXYQXIFCBBIMK-HSZRJFAPSA-N 431.452 4.409 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C2CC2)cc1 751077227 KYYKEUGVZZONAH-UHFFFAOYSA-N 425.617 4.499 10 20 IICD COc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 751136308 HMJLGGJIBBFYLE-AWEZNQCLSA-N 446.352 4.078 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)ccc1[N+](=O)[O-] 759159748 MWCYSHOESDBTIS-UHFFFAOYSA-N 447.450 4.381 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)cc1F 759323757 JLJDEQOSVQTWLH-UHFFFAOYSA-N 439.300 4.017 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 760902122 SHTHVMMDKHXVKP-UHFFFAOYSA-N 442.357 4.204 10 20 IICD Oc1ccccc1CN(C[C@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 762176303 JHCHJFVBHFFVSV-QGZVFWFLSA-N 430.430 4.449 10 20 IICD C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccc(Br)c21 765255507 RAMIXIIHVASFAI-KUDFPVQQSA-N 442.401 4.489 10 20 IICD CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)ccc2NC1=O 766380220 HKASTTZZWSTGAR-VVBPWWLESA-N 427.520 4.184 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 769239837 NSJFYMDLFSPYJU-XXBNENTESA-N 429.586 4.112 10 20 IICD C[C@@H](c1ccco1)N(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1 769722320 MBLQUBOPFBHHKZ-ZDUSSCGKSA-N 432.523 4.213 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 774361431 CVSBTUBWMFKCQI-UHFFFAOYSA-N 442.924 4.200 10 20 IICD Cc1cc(Br)cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O 775650905 HFWGXUBWNHCOJF-UHFFFAOYSA-N 435.337 4.131 10 20 IICD CCCc1csc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 776482379 UBAFCJXEAYKFLI-UHFFFAOYSA-N 428.480 4.273 10 20 IICD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 779510962 DIRFXNAUSLGGGA-KBMDHIKASA-N 445.357 4.169 10 20 IICD COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483219 PGDBAHMEOFZSPS-GOSISDBHSA-N 446.551 4.072 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCCCc2ccc(Br)cc2OC)c1 784532301 AQZJXVKFIXWGSW-ZDUSSCGKSA-N 437.334 4.165 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 789554884 WGBWSGCYMQFQQS-UHFFFAOYSA-N 443.547 4.162 10 20 IICD COCC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)c(Cl)c1 792923614 DTBRGAKFGGQOIY-OAQYLSRUSA-N 438.399 4.385 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 793951991 ACZBVHAYYHBQRV-UHFFFAOYSA-N 444.988 4.069 10 20 IICD C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 795807679 HTCUUAJLLILZPU-ZDUSSCGKSA-N 448.894 4.235 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c(C)n1-c1cccc(C(C)C)c1 803708712 VBJRTMBAJXRBOT-UHFFFAOYSA-N 446.551 4.027 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 804758559 IEIWFQGSLMZYCD-KRWDZBQOSA-N 438.524 4.462 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2ncsc2c1 807565153 HLZQQUKXALXZND-QGZVFWFLSA-N 436.581 4.122 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nc4ccccc4cc3Br)CC2)cc1 808353621 BFNYYKUMPMWIJJ-UHFFFAOYSA-N 440.341 4.405 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)nn1-c1ccc(F)cc1F 808893946 CJMIHCZMVLFYHF-UHFFFAOYSA-N 443.523 4.334 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 809723721 MUXTYKGIPXJJAP-UHFFFAOYSA-N 434.455 4.044 10 20 IICD C[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4ccc(S(N)(=O)=O)cc43)cc2Cl)C1 810240671 DQCWRGVAFHGFAG-ZHRRBRCNSA-N 448.032 4.391 10 20 IICD CC(C)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1 811263770 SIMHPMVQHOFDSQ-OAHLLOKOSA-N 442.471 4.164 10 20 IICD COc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 812363106 UJTVWYOGAKCQSY-UHFFFAOYSA-N 436.537 4.318 10 20 IICD COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(=S)N(C4CC4)C3=O)cs2)cc1 814284170 FDOQXJSJIRAYEB-CXUHLZMHSA-N 431.564 4.200 10 20 IICD C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1OCCc2sccc21 815834899 DYUPSGQDXALJLT-OXTHUFEASA-N 434.989 4.138 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 818890041 LZENHTMRAFKUGO-QHCPKHFHSA-N 433.552 4.466 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1 821673111 NPXBBCVAOIULTO-UHFFFAOYSA-N 442.413 4.071 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccn(-c2ccc(Cl)cc2Cl)n1 857439687 PBYDAGGTLPMROX-UHFFFAOYSA-N 449.313 4.085 10 20 IICD Cc1ccc2nc(SCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 917169956 OFTLCBKPBYDANU-HZPDHXFCSA-N 442.560 4.033 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)s1 917219854 SRYQETPNBXNLKV-UHFFFAOYSA-N 435.596 4.234 10 20 IICD Cc1cc(Br)oc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917714094 MYHHJFAZGQHFOG-CHWSQXEVSA-N 425.298 4.033 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(OC)cc1 918187136 VXYRSSHRIPNQQF-HOIFWPIMSA-N 429.536 4.398 10 20 IICD CCC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1 919455673 UXHGVIJEQRQELE-INIZCTEOSA-N 448.922 4.261 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920870782 DQHJFDOENVYDES-OAHLLOKOSA-N 430.936 4.408 10 20 IICD C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(N2CCOCC2)cc1 1318803087 CMHFHTZQVYEZLP-PGRDOPGGSA-N 445.604 4.174 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1ccc(I)cc1Cl 1342951860 OAHHQUMXTRIVML-UHFFFAOYSA-N 434.020 4.387 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC(F)(F)F)C3)cc1 1800513719 RDTPNUQXSOTVCR-FNLKRUPLSA-N 433.474 4.298 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2coc(C(C)C)n2)C3)cc1 1845398254 PMKVXOZCGAVTPY-UHFFFAOYSA-N 446.551 4.336 10 20 IICD C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 111133613 BZWKKQKHCLYUCB-HXUWFJFHSA-N 445.563 4.340 10 20 IICD Cc1cc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)ccc1NC(=O)C1=S=CC=C1 555090295 SNFOMEXRLXSRHU-UHFFFAOYSA-N 441.516 4.173 10 20 IICD CCOCc1cc(CN[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)ccc1OC 729682919 ILVQNCREVIRVSQ-IBGZPJMESA-N 429.580 4.364 10 20 IICD CCn1cc(N=c2scc(-c3cnn(C)c3)n2Cc2ccc(N3CCCC3)cc2)cn1 741155402 GJRIHZXGZOWGHE-UHFFFAOYSA-N 433.585 4.047 10 20 IICD CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742758960 SHKIROQLJBOWAQ-UHFFFAOYSA-N 432.572 4.378 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)N[C@H]3CCOc4ccccc43)C2)cc1 743015587 KLQWICWPUDMEFK-BEFAXECRSA-N 433.524 4.245 10 20 IICD CCCCc1nnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 743069456 DGJDINUHHXOBQN-CYBMUJFWSA-N 425.505 4.273 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 743809272 OXYGKSWVUWDQAL-FQEVSTJZSA-N 443.341 4.467 10 20 IICD COCCN(Cc1cccs1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903054 BKFSYQPAQNPRMJ-INIZCTEOSA-N 439.528 4.177 10 20 IICD Cc1cc(CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(C)n1-c1ccccc1 747150172 DFBWBBWOSZRVDN-UHFFFAOYSA-N 445.972 4.092 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1F 753739518 GIJDZPMDVBJZOA-UHFFFAOYSA-N 445.441 4.049 10 20 IICD O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 759588109 IHDANEYHGFRSAC-ACCUITESSA-N 447.491 4.136 10 20 IICD CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 760375976 OSYSYONJCRZOSN-FQEVSTJZSA-N 428.495 4.286 10 20 IICD CCN(CC)c1ccc(CNc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)cc1F 760442032 KMHMMPRSNHRFPT-UHFFFAOYSA-N 446.542 4.084 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCC3CC(OC(C)(C)C)C3)cc2F)C[C@@H](C)O1 763197449 UODMASOLBQPIAM-LBVWLFBPSA-N 435.584 4.222 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)cc1F 763454554 FSHOUAXGCXFUPJ-UHFFFAOYSA-N 427.701 4.213 10 20 IICD O=C1/C(=C/c2cc(Br)ccc2OC(F)F)SC(=S)N1Cc1ccon1 764413279 ZCWNEXZPBCBEOJ-SDQBBNPISA-N 447.282 4.440 10 20 IICD COc1ccc(N2CCC(NCc3ccc(OCCOc4ccccc4)nc3)CC2)cc1 765126060 GHGVMPFCQWVFDT-UHFFFAOYSA-N 433.552 4.307 10 20 IICD C[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 765680244 GPOKQMDEJNMHRZ-YWZLYKJASA-N 428.882 4.277 10 20 IICD O=C(CCc1ccc(Br)cc1F)NCc1cccc(Br)c1O 765747003 JMWSMNMRQKQAJC-UHFFFAOYSA-N 431.099 4.305 10 20 IICD C[C@H](N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)cc1Cl 766136860 KOWDYBNAEHTVTM-DFIYOIEZSA-N 444.019 4.117 10 20 IICD Cn1cc([C@@H](O)C[C@H]2CCCN2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 766961129 ODKPEIJYAJRFJH-PKTZIBPZSA-N 432.528 4.362 10 20 IICD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 767777928 FBTSFLKBKLBYQI-LJQANCHMSA-N 439.453 4.464 10 20 IICD O=C1/C(=C\c2ccc(OC(F)F)c(Br)c2)NC(=S)N1Cc1ccccc1 768269924 YNMJLWNVHLLHII-NTEUORMPSA-N 439.281 4.308 10 20 IICD C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)C1 768868608 NKTKNBHCJWGWCK-LJQANCHMSA-N 428.577 4.056 10 20 IICD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cccc(Br)c2O)CC1 769160539 IQGWTAURLQJFLV-ZDUSSCGKSA-N 449.374 4.145 10 20 IICD Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1ccccc1Br 769343900 LVOKHWCGGHAJDT-OALUTQOASA-N 435.387 4.203 10 20 IICD CCc1nc(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n[nH]1 770999485 UHJMIJCBYUAGRB-KRWDZBQOSA-N 441.482 4.034 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cccc(C(=O)CC)c2)nc1-c1ccccc1 772827045 JWQKWZLEXFAJMK-UHFFFAOYSA-N 444.534 4.380 10 20 IICD Cc1nc(C2(NCc3cc(Br)cc(Br)c3O)CCCC2)no1 776163065 NQBMMFZRLHPQGM-UHFFFAOYSA-N 431.128 4.168 10 20 IICD C[C@@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1ccc(N2CCOCC2)c(F)c1 776833024 LSDYIEYKRQYXHR-QZTJIDSGSA-N 437.519 4.232 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3cnn(Cc4ccc(F)cc4)c3)SC2=S)c1 780149170 XFANBWDTCTXBMC-QGMBQPNBSA-N 439.493 4.175 10 20 IICD COC(=O)c1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)sc(C)c1C 784061427 CIHLEOKZWSLXMX-UHFFFAOYSA-N 429.542 4.038 10 20 IICD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)oc12 785541016 XPUZYSZZUZYIRP-KRWDZBQOSA-N 449.551 4.266 10 20 IICD Cc1cc(CC(=O)Nc2ccn(C3CCN(C)CC3)n2)c(C)n1-c1ccc(Cl)cc1 786195953 CTIQLJPBHGZNGS-UHFFFAOYSA-N 425.964 4.392 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCCCO[C@@H]3CCC[C@H](C)C3)cc2)CC1 786261869 GSNIMVFNTSQUIE-SQJMNOBHSA-N 443.632 4.127 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)s1 797150513 OCUYTIMBAIPELA-KXUCPTDWSA-N 445.358 4.022 10 20 IICD CC(C)(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)CC(=O)c1ccccc1 799651140 QMSOTKGDSFUJLB-UHFFFAOYSA-N 426.532 4.092 10 20 IICD O=C(NCCc1ccc(OCC(F)(F)F)nc1)NCc1cc(Cl)cc(Cl)c1O 805310623 ZIBVIGCBBMREEV-UHFFFAOYSA-N 438.233 4.077 10 20 IICD O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809195873 ZDDQVOXAKWPMOJ-UNMCSNQZSA-N 432.520 4.042 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)cc1 815156130 VPJTUIDOPMYBSB-HOYKHHGWSA-N 425.548 4.145 10 20 IICD Cc1sc2ncn(CCC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)c(=O)c2c1C 818028916 JKZNPUGOTYMHJH-UHFFFAOYSA-N 448.592 4.231 10 20 IICD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1c(-c2ccccn2)nc2ccccn12 820006065 IFCOMZXGTDFWEB-QGZVFWFLSA-N 449.923 4.491 10 20 IICD Cc1nc(Cc2nc(-c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cs2)cs1 914795070 FQKANKZHOFBIST-UHFFFAOYSA-N 444.607 4.221 10 20 IICD CN(C)S(=O)(=O)c1ccc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)o1 915794290 XGYUIZVQEPRHLP-UHFFFAOYSA-N 443.550 4.327 10 20 IICD O=C(NCc1cc(Br)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1 916626563 CNEHNQNKKHLVBC-OAHLLOKOSA-N 425.348 4.107 10 20 IICD CN(C)c1ccc(CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C2CC2)cc1 917074138 QJCKTVREUWFDES-XMMPIXPASA-N 449.595 4.242 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccn1Cc1ccccc1 917380610 HLOYUQASKQNRNN-UHFFFAOYSA-N 443.469 4.322 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)oc2ccc(Br)cc12 917706869 YOKCDQHNQLFVKL-UHFFFAOYSA-N 447.304 4.409 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 919772875 LYNGDWXTEDZLGP-UHFFFAOYSA-N 444.507 4.170 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(Br)cc1F 919895162 CZFHDHOGOSOMSO-UHFFFAOYSA-N 432.337 4.373 10 20 IICD Cc1ccc(C)c(OCCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 920299886 SSYWEPIRNXQLLR-UHFFFAOYSA-N 428.548 4.269 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3nc4cc(Cl)ccc4s3)CC2)cc1 920420865 MDHKHAYHBLWIAW-UHFFFAOYSA-N 430.961 4.380 10 20 IICD COc1cc(-n2cnnn2)c(Cl)cc1-c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1345673255 ITRWMSGBCSWISZ-UHFFFAOYSA-N 447.886 4.449 10 20 IICD O=C(NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1786424674 JYHRKJQURMBVLL-UHFFFAOYSA-N 444.890 4.391 10 20 IICD CC(C)NC(=O)Nc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 726097838 OOCGMRGZAQBJIC-UHFFFAOYSA-N 436.512 4.427 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCN1Cc1ccccc1 726565859 LXEUCJZPQXBPHD-QFIPXVFZSA-N 429.511 4.038 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3)CC2)cc1 726702503 LNLSBHVKDHQIFX-HSZRJFAPSA-N 439.556 4.046 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2c(c1)C[C@H](C)O2 728439392 JHNPMOUHTNEDFB-MTUBTWAWSA-N 427.503 4.123 10 20 IICD Cc1cc(C(=O)COC(=O)CCCc2ccc3c(c2)CC(=O)N3)c(C)n1-c1cccc(F)c1 729758276 JSEUUQOUOJOOJS-UHFFFAOYSA-N 448.494 4.477 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCO[C@H](c2ccccc2)C1 729879604 HLJJPWOUMVGJOJ-QFIPXVFZSA-N 445.510 4.430 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 733950434 UPXKZZMQCUECJD-UHFFFAOYSA-N 437.565 4.134 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(C(C3CC3)C3CC3)C2=O)cc1C 734881258 YOBBTPDXYDESKC-LICLKQGHSA-N 431.579 4.245 10 20 IICD CC(C)(C)c1nsc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 734933291 QFLDMNFDKZOJFI-UHFFFAOYSA-N 425.505 4.228 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2ccccc2F)CC1 737037090 MWDMDMVGOKUKBD-UHFFFAOYSA-N 429.511 4.015 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1 741069230 MNOQJXCDDJKRHI-UHFFFAOYSA-N 436.553 4.145 10 20 IICD Cc1cc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c(C)n1-c1ccc(F)cc1 742186993 DZDNFIOTBSPSOF-UHFFFAOYSA-N 443.526 4.266 10 20 IICD CCO[C@@H](C)c1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 742619629 VQLPOBKRBJKMPT-ZDUSSCGKSA-N 425.501 4.241 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Br 742654891 QJJXVSYSCWMXFX-UHFFFAOYSA-N 427.339 4.057 10 20 IICD CC(C)(C)c1nnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 743117833 NKWURWPWFHPTPU-GFCCVEGCSA-N 425.505 4.228 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)s1 743311505 ABCQWRDHWHXHPS-LBPRGKRZSA-N 441.366 4.031 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743540427 RGZGHIYLRMEAIF-GOEBONIOSA-N 437.462 4.465 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 743888763 DCJMHZTYTFZNNQ-UHFFFAOYSA-N 444.535 4.461 10 20 IICD CC/C(=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 744468690 WSTUBLCQAJSWCR-GJPUVDBCSA-N 425.960 4.152 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c(OC)c1OC 745650817 XOFNMMVOGQARIS-UHFFFAOYSA-N 428.529 4.463 10 20 IICD CN(C)CCOc1ccc(CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 745800580 CCAQBDJZIVOCPQ-UHFFFAOYSA-N 439.600 4.420 10 20 IICD CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCSc2nccs2)nc1 746460873 LUTKZGZYOIOJLA-UHFFFAOYSA-N 434.612 4.348 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2cccc(Cl)c2)no1 748838149 JSGYKQVAWGXVKY-UHFFFAOYSA-N 429.879 4.025 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1C(=O)c1cccs1 749405804 JGVFYQOQOGIAMC-UHFFFAOYSA-N 438.524 4.009 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)cc2)CC1 749643691 ITUIMSBWYJOBJF-UHFFFAOYSA-N 435.568 4.407 10 20 IICD COCCN(Cc1csc(-c2ccc(O)c(OC)c2)n1)c1ccc(OC)c(OC)c1 751484450 YKQAWBOXSWKVOX-UHFFFAOYSA-N 430.526 4.195 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl 752656000 KVMYBBQSNZTMMA-OAQYLSRUSA-N 448.032 4.306 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc([C@@H]2CCCO2)s1 756003213 WJJGISUOQHNOSO-SFHVURJKSA-N 427.492 4.140 10 20 IICD COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC 763087685 AXLIPHJGLDGRBV-GOSISDBHSA-N 425.573 4.323 10 20 IICD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765253861 VJEPNVZRJDXUAJ-AWEZNQCLSA-N 446.345 4.491 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3OC(C)(C)C)cc2)CC1 765858919 BBYKXSOUPZBTDS-UHFFFAOYSA-N 441.547 4.494 10 20 IICD Cc1nc(-c2cc([C@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cs2)cs1 765977871 KADFPCJQHLMDLE-HNNXBMFYSA-N 447.651 4.266 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@@H](OC(C)C)c3ccccc3OC)CC2)cc1 770492824 XJOOTFJIRWFXLD-XMMPIXPASA-N 441.572 4.092 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 772777616 WJAYCGLNFNRMSZ-UKTHLTGXSA-N 427.472 4.155 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773002338 ZJYCEXSMPOCIEN-IRXDYDNUSA-N 434.627 4.294 10 20 IICD C[C@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 773612971 OFMIQJQCPDPMSC-SFHVURJKSA-N 432.609 4.492 10 20 IICD CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 773662264 UDUKXMDZNRHFMJ-UXHICEINSA-N 425.520 4.150 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc21 774107688 DPZONYZNWHGHMZ-UHFFFAOYSA-N 438.597 4.251 10 20 IICD CCC[C@H](NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O)c1ccccc1 775192479 NAWKJIZTWIUIEC-SFHVURJKSA-N 433.346 4.161 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cnc3ccsc3c2)nc1-c1ccccc1 775206587 DGQZQSRTPGKKTL-UHFFFAOYSA-N 430.536 4.179 10 20 IICD C[C@@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(N2CCOCC2)cc1 775253324 ABXMOSFNALMYDF-OAHLLOKOSA-N 432.446 4.443 10 20 IICD O=C(Nc1cccc(C(F)(F)F)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 775750392 MEPWIBBUSRVLTK-UHFFFAOYSA-N 430.377 4.492 10 20 IICD CCOC(=O)N1CCC([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 779673415 LWGGIICPEQGQOL-IBGZPJMESA-N 430.593 4.075 10 20 IICD O=C(Nc1cc2c(cc1Cl)OCO2)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895602 AQYWUTPMHPOSNQ-UHFFFAOYSA-N 430.888 4.074 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(F)n2)sc(C)c1-c1ccccc1 783203329 CSBSHKKCLJGVCJ-UHFFFAOYSA-N 442.468 4.230 10 20 IICD COC(=O)COc1ccc(N(C)Cc2ccnc(-c3ccc(Br)cc3)n2)cc1 784556851 RSDUSECWHNZRIM-UHFFFAOYSA-N 442.313 4.094 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(OC(C)C)c(F)c3)cc2)CC1 784701925 BWPKGNDZFGZGEG-UHFFFAOYSA-N 445.510 4.243 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 789590613 VRXFOYJQPSWSFZ-LJQANCHMSA-N 439.519 4.496 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1ccoc1 795553999 LCVGJONDKTZYFJ-UHFFFAOYSA-N 438.380 4.407 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 801185874 CNCSWNMOOZBOQU-VIFPVBQESA-N 434.208 4.120 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 802343057 UYJUTNOPSASYMR-GOSISDBHSA-N 429.492 4.045 10 20 IICD CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)cc(Cl)c1O 806139943 SRDMYCFKIKZGPM-IBGZPJMESA-N 443.396 4.175 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3OCC(F)F)CC2)cc1 806825362 XWOXCLMADNIJEC-UHFFFAOYSA-N 425.863 4.347 10 20 IICD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 809194952 GUDHAIFPHVENOS-CDNPAEQRSA-N 427.976 4.053 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Cl)ccc1OCc1cccnc1 809695737 RIHTZHSFGVTFSU-UHFFFAOYSA-N 446.956 4.479 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@H]1CC1(Cl)Cl 913359909 GIUHBHNEELYWIT-CEXMDJMXSA-N 436.407 4.467 10 20 IICD Cc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c(Br)c1 914613838 LREQWCUJZIRASU-UHFFFAOYSA-N 442.313 4.356 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1 917821657 KQNUUEFLUAIXJD-UHFFFAOYSA-N 425.529 4.239 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])n2)cc1Cl 918192576 YNGYVSDGVVNXFH-UHFFFAOYSA-N 443.865 4.320 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H](C)c3ccccc3Cl)CC2)cc1 918198990 XONWVOIQHLMRRS-IBGZPJMESA-N 445.007 4.263 10 20 IICD Cc1cc(-c2csc(NC(=O)c3n[nH]c(O)n3)n2)c(C)n1-c1cccc(C(F)(F)F)c1 918311154 HBBLYAURYRJPIS-UHFFFAOYSA-N 448.430 4.312 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1=O 920880591 FFTPWLHGJFZLKS-JAXLGGSGSA-N 449.595 4.267 10 20 IICD Cc1cc(C(=O)N2CCN(c3nccs3)CC2)c(C)n1-c1ccc(Br)cc1 10504287 KVIKCRBBSHAINW-UHFFFAOYSA-N 445.386 4.276 10 20 IICD Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 108287738 YQFKLRAYIIYCAY-BRWVUGGUSA-N 434.939 4.485 10 20 IICD CC(C)Oc1ccc(-c2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cs2)cc1 109897775 RVSLPOBDRZOTIR-UHFFFAOYSA-N 437.565 4.364 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)CC2)cc1 110463352 ZGUANZRAGILVDF-UHFFFAOYSA-N 446.516 4.254 10 20 IICD COc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc(OC)c1OC 302138939 CRJJOMXTLDEKGU-UHFFFAOYSA-N 431.842 4.106 10 20 IICD CCOc1ccc(-n2c(C)cc(-c3csc(CN4CCN(C(C)=O)CC4)n3)c2C)cc1 303092915 DSKFKCDXZYXJBB-UHFFFAOYSA-N 438.597 4.280 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 303341673 VRRRLJCFVOPCQC-UHFFFAOYSA-N 428.960 4.136 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(C)cc3OC[C@@H]3CCCO3)CC2)cc1 726697325 MAAAZFYAOLHYIC-QFIPXVFZSA-N 439.556 4.352 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2F)C[C@@H](C)O1 726706355 IKTBSKDKVKJSFZ-MCJPXMOYSA-N 441.547 4.159 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 727404875 CCWZODVOHDAJMV-HNNXBMFYSA-N 445.972 4.147 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1 728980899 PNSMZUICWMRLRP-MRXNPFEDSA-N 444.487 4.309 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1 729048365 BQFVZLWAALCXBP-QGZVFWFLSA-N 430.508 4.359 10 20 IICD CC(C)COc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 730123103 FFTCHNMONHVOEE-FQEVSTJZSA-N 425.573 4.161 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1F 732918331 FCNUTVSHEVMAMC-MRXNPFEDSA-N 427.474 4.071 10 20 IICD COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCCCSc2nccs2)cc1OC 733972115 AGKTZPAIUGKLEV-UHFFFAOYSA-N 437.587 4.057 10 20 IICD Cc1cccc(COc2c(C)cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2C)c1 734484462 XLFSONHYIGOXJR-ZDLGFXPLSA-N 427.547 4.477 10 20 IICD Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2)co1 735315794 JXNZPONLIOBVEJ-UHFFFAOYSA-N 425.554 4.365 10 20 IICD O=C(Nc1ccc(NC(=O)c2cc(OCc3ccccc3)ccn2)cc1)C1=S=CC=C1 742604687 KSUGSKQKVSBMIV-UHFFFAOYSA-N 429.501 4.129 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2ccnc2S)cc1 742799576 ZHEQWNYPIQWAQJ-MRXNPFEDSA-N 444.507 4.161 10 20 IICD COc1ccc(C[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 743565027 RYNAOTRXLFFRID-IFMALSPDSA-N 437.584 4.257 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CN(C)c1nc2ccccc2s1 743807889 KGNNFKIRPLUGJK-UHFFFAOYSA-N 434.359 4.249 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2c(F)cccc2F)CCCC1 749192532 FMNCXWLDAHNUKH-UHFFFAOYSA-N 443.538 4.455 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC3CCC(N4CCCCC4)CC3)cc2F)C[C@@H](C)O1 751086238 WUDYNMYUXFNZOX-RVEPMOMFSA-N 446.611 4.036 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)CCc2ccncn2)c(C)n1-c1ccc(OC(F)F)cc1 755650260 IRNPTTNBFDFLTH-INIZCTEOSA-N 443.450 4.233 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3c[nH]nc3-c3ccccc3F)SC2=S)c1 755698816 IXOVKZMVWPEFGE-SXGWCWSVSA-N 425.466 4.320 10 20 IICD COc1ccc(C(F)(F)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 755840217 GRYGSEPQNMIJCR-UHFFFAOYSA-N 426.410 4.174 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 756074933 AVWFBXHDKHWWHQ-OFVILXPXSA-N 446.595 4.263 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4cccc(Br)c4)C3)CC2)cc1 756114120 NDESRUGPMUBVQC-LJQANCHMSA-N 430.390 4.295 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccc(C)cc1 760348522 HJBVCRVOKCGUKN-UHFFFAOYSA-N 446.595 4.272 10 20 IICD Cc1c([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnn1-c1ccc(F)cc1 761089456 XEPQXZVLIHPDKL-CYBMUJFWSA-N 442.878 4.204 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nc(SCc4ccccc4)ns3)CC2)cc1 762958136 TXMQWMRHCVXWSR-UHFFFAOYSA-N 441.582 4.193 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)c(C)c1 764527969 VNFMHGXRFOVIBN-UHFFFAOYSA-N 439.566 4.425 10 20 IICD CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769903405 GCONDKYWJKSDOT-SFHVURJKSA-N 445.566 4.263 10 20 IICD CC[C@H](C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F 772533728 VRWVCAATWJKSLB-BLLLJJGKSA-N 441.416 4.318 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc(-c2ccc(Br)cc2F)n1 773755831 GDOSYHKPZSTSCW-JTQLQIEISA-N 435.249 4.015 10 20 IICD COCC1(C)CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 773974146 FECFXFRSZZORTA-DTQAZKPQSA-N 438.640 4.005 10 20 IICD COc1cc(Br)cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O 775039777 NQRHJIGIFZXHLM-DOMZBBRYSA-N 429.355 4.041 10 20 IICD CSc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 775153284 PFMGCQBFDKQZNA-HNNXBMFYSA-N 449.523 4.042 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 775216575 GCTVQCRVTYMKLT-JOCHJYFZSA-N 427.976 4.411 10 20 IICD CC[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1O 775507571 NFQLAWDZJDUXJF-QGZVFWFLSA-N 426.376 4.448 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 776710876 CBTZHOPDJBHAIN-UHFFFAOYSA-N 430.980 4.450 10 20 IICD COc1ccc(N2CCC(Nc3cccc(C(=O)N4CCCC[C@@H]4CCO)c3)CC2)cc1 777631077 WURRHGCYOZEGQN-XMMPIXPASA-N 437.584 4.153 10 20 IICD CC(C)(C)Oc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 778794234 YZOHZTUFPUSJQU-UHFFFAOYSA-N 448.514 4.329 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 779046090 ACXJCWPBOVSULV-KRWDZBQOSA-N 425.520 4.246 10 20 IICD Cc1nnc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 782676873 NHMUZMKTWKYQTM-PEHNMLCRSA-N 439.609 4.194 10 20 IICD O=C(Nc1ccc(N2CCCC2)c(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895464 DESNOBUXDNJTFJ-UHFFFAOYSA-N 439.531 4.432 10 20 IICD COC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1 787003576 YSUQWECVWVNUBU-ZOCZFRKYSA-N 449.954 4.280 10 20 IICD COc1cccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1O 787130916 CLCFCRKAXALOSA-UHFFFAOYSA-N 436.295 4.397 10 20 IICD C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788911734 QNLGFHKAUPYEFD-INIZCTEOSA-N 433.474 4.141 10 20 IICD O=C1/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1CCc1ccccn1 790589760 FAJJQZBTCUMWFM-LDADJPATSA-N 440.981 4.424 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2Cl)C1 791064346 RSKJDXVBRZUDOE-VQIMIIECSA-N 447.000 4.154 10 20 IICD Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccc(Br)cc1 791075398 XONLKRYTRJDGQC-MRXNPFEDSA-N 447.373 4.267 10 20 IICD Cc1c([C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)oc2ccccc12 793628581 TWHWFYHAARNPOP-QGZVFWFLSA-N 432.476 4.446 10 20 IICD O=C1/C(=C\c2ncc(I)s2)SC(=S)N1c1ccccc1 794696399 UXKZYSHXWAUQMZ-RMKNXTFCSA-N 430.317 4.154 10 20 IICD CSc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1 799187322 PKWNLYNHBGYARX-UHFFFAOYSA-N 446.579 4.310 10 20 IICD COc1cc(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc(OC)c1OC 800048955 DDZMXGXLDJIXND-INIZCTEOSA-N 446.975 4.461 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 808945171 UMOSJAYCIPUGQW-UHFFFAOYSA-N 440.931 4.307 10 20 IICD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 809556602 MHVAIXUVFFMRLB-LJQANCHMSA-N 435.593 4.090 10 20 IICD O=S1(=O)CCN(c2ccc(CNCC(Cc3ccccc3)Cc3ccccc3)cc2)CC1 811480544 XUSYHAKMXQTHCW-UHFFFAOYSA-N 448.632 4.113 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 914505413 DSGVMVLNXNYQHH-OAQYLSRUSA-N 425.548 4.181 10 20 IICD Cc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c(C)n1-c1ccccn1 914872986 PHQREAHTSOSRKF-BGYRXZFFSA-N 432.568 4.028 10 20 IICD O=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457137 XYOAOSQUHPQNKD-UHFFFAOYSA-N 442.478 4.231 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(CN2CCCCCC2)CC1 916624546 FQNRCMJMBPAPBZ-UHFFFAOYSA-N 430.662 4.037 10 20 IICD COc1ccc(N2CCCN(Cc3nc(O)c4c(-c5ccco5)csc4n3)CC2)cc1 917210791 SAYYBXVIUSFBCB-UHFFFAOYSA-N 436.537 4.378 10 20 IICD Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380832 NRQSYASSCYATSG-UHFFFAOYSA-N 438.494 4.040 10 20 IICD CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c12 917709322 UZRYPILNMAGNAL-UHFFFAOYSA-N 438.503 4.129 10 20 IICD CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1 918123628 ZOQGVNANDVNWSB-UGKGYDQZSA-N 440.563 4.114 10 20 IICD O=C(NCCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1 918156954 YBZOWDINJRVKKA-UHFFFAOYSA-N 436.383 4.244 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(OC[C@H]2CCCO2)c1 919910969 DZKZTFRZXAMKGT-NHCUHLMSSA-N 440.540 4.472 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(Oc4ccccc4)CC3)cc2F)C[C@@H](C)O1 1318049542 ROGAXYINWYSQQK-RTBURBONSA-N 441.547 4.192 10 20 IICD COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCc1cccnc1 65429721 URONJWKPPCABAJ-FQEVSTJZSA-N 433.552 4.357 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(=O)c1ccc(F)cc1 303029812 TXTKWXMBNDIMCS-UHFFFAOYSA-N 446.522 4.195 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1C 303290288 BADJFDLDFWDNDF-UHFFFAOYSA-N 428.944 4.421 10 20 IICD Cc1c(CNC(=O)C(=O)N(CCC(F)(F)F)Cc2ccccc2)n(C)c2ccccc12 576137569 HBPZYLMLPDFRRW-UHFFFAOYSA-N 431.458 4.084 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cnc4c(c3)c(C)nn4-c3ccccc3)CC2)cc1 726562998 ACVFGCMRJDSNGX-UHFFFAOYSA-N 441.535 4.136 10 20 IICD Cc1ccc(-c2nc(CCNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)co2)cc1 726712247 PXGXLOTVPNUGGE-JOCHJYFZSA-N 435.524 4.289 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 727243139 RQIVECUDVHTETR-UHFFFAOYSA-N 446.510 4.040 10 20 IICD CCCN(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C1CC1 728838297 XPBIQUWRNFACEH-XNTDXEJSSA-N 439.400 4.051 10 20 IICD Fc1cc(CNc2ccnc(-c3ccccc3)n2)ccc1N1CCN(c2ncccn2)CC1 729181807 IKUOUFJELUJTAB-UHFFFAOYSA-N 441.514 4.011 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 729534849 DLNXJKTUXODLCK-KZULUSFZSA-N 437.323 4.190 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(Br)cc3C)CC2)cc1 732248539 FSYZCPBLGCOVGZ-UHFFFAOYSA-N 432.362 4.234 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2)c1 732477042 GYRZWSVPJKMNCK-UHFFFAOYSA-N 435.499 4.034 10 20 IICD CCOCCCN1CC[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@@H](C)C1 734666010 SHNCRJOFDFONCB-OFVILXPXSA-N 444.664 4.392 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)Sc3ccccc3)cc2F)C[C@@H](C)O1 743555243 SZBBQLIFEWSEPZ-FGTMMUONSA-N 431.577 4.419 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2c(O)cccc2Cl)NC(=O)OC(C)(C)C)cc1 743725759 ZBYZUWCWUHRYCG-QGZVFWFLSA-N 433.936 4.107 10 20 IICD CC(C)CC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 743946981 RNDLDKNGBHWXEP-UHFFFAOYSA-N 435.528 4.194 10 20 IICD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743974745 GVCQHYUMWCMQCC-SFHVURJKSA-N 445.510 4.309 10 20 IICD CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 745182511 FZTOEDFYSBVKEP-KSZLIROESA-N 429.536 4.398 10 20 IICD Cc1ccc([C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)N2CCOCC2)cc1 745683225 VQDSIABDHYWYAH-RUZDIDTESA-N 438.616 4.055 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCc2cc(OC(F)F)ccc21 746724474 JFOSCYLMTUKAQB-NRFANRHFSA-N 431.483 4.001 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN(Cc3ccccc3O)[C@H](C)c3ccccc3)nc12 750616655 PFKRSXMHYVNJPF-QGZVFWFLSA-N 446.507 4.081 10 20 IICD CC[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)CCO1 752846024 RAYNBTGVYGNPCP-IFMALSPDSA-N 435.572 4.004 10 20 IICD CCOC(=O)c1c(NC(=O)c2cnc3c(c2)nnn3C)sc(C)c1-c1ccc(C)cc1 754031233 KGRKVFFWNTWDCF-UHFFFAOYSA-N 435.509 4.138 10 20 IICD CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@H]1NC(=O)OC(C)(C)C 757375815 UWBHYIRFVBNMSB-UYAOXDASSA-N 426.561 4.255 10 20 IICD COc1cc(N2CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)cc(OC)c1OC 761220177 VOOQRTAYKBDFNG-UHFFFAOYSA-N 445.991 4.288 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C2CC2)cc1 762640612 QBMRFIGXHCZDKJ-UHFFFAOYSA-N 437.874 4.137 10 20 IICD CCN1CCc2nc3ccccc3c(C(=O)NCc3cccc(Br)c3O)c2C1 765758454 WTTVZZLZYVSKAL-UHFFFAOYSA-N 440.341 4.011 10 20 IICD O=C(NC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)c1ccsc1 769101194 BIQLITZTRFFERO-UHFFFAOYSA-N 428.558 4.041 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(C)n1-c1ccccn1 769386333 ZAXCOACERBIPPH-KRWDZBQOSA-N 431.458 4.089 10 20 IICD Oc1ccc(Br)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 769927447 YBUDQNVALPDTGB-UHFFFAOYSA-N 445.279 4.300 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1 772117200 GCSZDMGYVOLKKT-OAQYLSRUSA-N 437.569 4.306 10 20 IICD CN1C(=O)CCc2cc(/C=C3/SC(=S)N([C@H]4CCOc5ccccc54)C3=O)ccc21 773896464 FYZBUMUUKUGYGU-ACRNLXFHSA-N 436.558 4.321 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781598282 BAOIGWOJSZTLFB-UHFFFAOYSA-N 426.473 4.085 10 20 IICD CN(C)CCc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 782905308 MUBPXIWFHKGCKJ-UHFFFAOYSA-N 432.515 4.183 10 20 IICD Cc1oc2c(CN3CCC(OC[C@@H]4CCOC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 783999238 MKXSDZJFHLWNDZ-LJQANCHMSA-N 449.547 4.492 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 784109412 RJPIHDGSJWNZFW-UHFFFAOYSA-N 427.373 4.126 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(-c2ccccc2)o1 788484419 WSTJTMYVFABURQ-UHFFFAOYSA-N 431.536 4.212 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)CCCC4=O)c3)c2C)cc1 792618717 YVSNIDGWPCSEKJ-UHFFFAOYSA-N 431.492 4.399 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)ccc1C(F)(F)F 793578005 OMQWDUYXTDCKOC-LBPRGKRZSA-N 430.373 4.411 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c(O)c1 797387782 PGAYPNCZZLPQCE-KRWDZBQOSA-N 434.492 4.104 10 20 IICD COc1ccc(N2CCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3C)CC2)cc1F 800739935 VMMSFZBVBPXJHZ-OAHLLOKOSA-N 445.926 4.083 10 20 IICD CCOCCCn1c(-c2ccccc2C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802604609 SJHLSGUJXJTJJL-UHFFFAOYSA-N 449.599 4.153 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 804270147 MDGGEGVKIBSLON-UHFFFAOYSA-N 445.950 4.316 10 20 IICD Cc1cc(Cl)cc([C@@H](C)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c1O 808717132 GIBKLQUWSNCCNL-FATZIPQQSA-N 427.932 4.430 10 20 IICD COc1cc(CNCc2cccc(Br)c2O)cc(OC)c1OCC(F)F 809654564 HJDLQBPJPPTKNM-UHFFFAOYSA-N 432.261 4.106 10 20 IICD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCc2c(O)ccc3c2CCCC3)CC1 810448183 XKFGMDMQGSSYIZ-VQTJNVASSA-N 428.573 4.170 10 20 IICD COc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 914766777 QWHJEZBEXRNLII-UHFFFAOYSA-N 431.536 4.009 10 20 IICD O=C(NC[C@H](CO)Cc1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915774233 NZDKFMWMQBZKHD-GOSISDBHSA-N 434.471 4.147 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2F)C[C@@H](C)O1 917712542 POIKWCQADCHJRS-HDICACEKSA-N 448.542 4.432 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)c(C)n1-c1cccc(Br)c1 918074028 VXGYRWNANOVHSY-IBGZPJMESA-N 427.346 4.398 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 919653476 CBIIEZFYAVDEIR-QHCPKHFHSA-N 436.556 4.488 10 20 IICD CCOCCOc1ccc(Br)cc1/C=C1\SC(N2CCCCC2)=NC1=O 921262360 UZVMAQWEVQLLRX-LGMDPLHJSA-N 439.375 4.321 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1 1115836390 FMZHURDDBQJPCS-OAQYLSRUSA-N 425.916 4.262 10 20 IICD Cn1cccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775617 JOPQTSVSOSJSMM-UHFFFAOYSA-N 439.899 4.151 10 20 IICD OC1CCN(c2ccc(CNc3nc(-c4cccnc4)nc4ccccc34)cc2F)CC1 301084178 KTCAGCYJNPCJRY-UHFFFAOYSA-N 429.499 4.404 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(Br)c1 303247465 DSGCISAGHXAOEB-UHFFFAOYSA-N 427.346 4.281 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC(=O)c1ccc(Br)cc1 446315297 IBURWPSXSCDELU-UHFFFAOYSA-N 431.330 4.294 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 610310846 XVKVGLFYLQHJRI-UHFFFAOYSA-N 432.480 4.312 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(OCC(F)(F)F)cc3)CC2)cc1 726609526 BTLZDWUWARSCKN-UHFFFAOYSA-N 437.462 4.105 10 20 IICD O=C(Nc1ccc(-n2cccn2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726697585 AFKJHQGZVLGCMN-UHFFFAOYSA-N 427.455 4.264 10 20 IICD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 727217300 GXHYPHZTVIAFLG-CQSZACIVSA-N 439.339 4.029 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3csc(-c4cccs4)n3)SC2=S)cc1 728611275 YKWLIOVPPCDXPE-RIYZIHGNSA-N 429.573 4.376 10 20 IICD COc1ccc(O)c([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1 728908559 MMOSYKCCQHUEDZ-HNNXBMFYSA-N 449.529 4.047 10 20 IICD O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 730899343 CPGTUIUABLHGLS-VQTJNVASSA-N 444.503 4.302 10 20 IICD CCN(CC)c1ccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1F 731345825 JSCCEDSQEYHDMQ-IBGZPJMESA-N 435.952 4.445 10 20 IICD CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 731348297 GLKPITHKKNSAOV-UHFFFAOYSA-N 445.629 4.104 10 20 IICD CC(C)C[C@@H]1COCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 733772900 ZEIMQWLQEFLDTE-UHVIJJLKSA-N 438.640 4.003 10 20 IICD CCN(CC)c1ccc(CN(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 738297794 CNKRCKFEEVOSND-UHFFFAOYSA-N 427.549 4.408 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 740800710 AWVGJSHXPJLFKP-UHFFFAOYSA-N 441.597 4.494 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 741069147 JOXQIQBLRJONBA-UHFFFAOYSA-N 444.601 4.493 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 743045340 GJDRLWGBQQQPCH-UHFFFAOYSA-N 443.506 4.447 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1)C1CCCCC1 743413278 DEWSDJNQDNWONF-UHFFFAOYSA-N 449.530 4.035 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)Oc3ccccc3Cl)cc2F)C[C@H](C)O1 743554993 NYRCPZYBSPFSLB-IKGGRYGDSA-N 449.954 4.359 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(F)cc1I 750628000 ZTGHKXGTQIFCNJ-UHFFFAOYSA-N 437.256 4.128 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)cc1F 753742875 XDSQSFVKECXNIC-UHFFFAOYSA-N 443.906 4.424 10 20 IICD COc1ccc(C(C)(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 757675397 LSTRNHBUSBHKSD-KRWDZBQOSA-N 448.510 4.368 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 761575540 KRUKQJFLXWJUKW-IVZQSRNASA-N 435.503 4.048 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 761746417 USNOCYLMFKQLAL-UHFFFAOYSA-N 443.297 4.297 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C1CC1 763121294 YWAVKNVPZRUALL-KRWDZBQOSA-N 425.577 4.175 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2F)C[C@@H](C)O1 764852058 GGHCCHNXRDATTB-RDXCRGQUSA-N 441.330 4.096 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 766317777 CXSRRGOLMGCIFA-YADHBBJMSA-N 431.964 4.039 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc1 768035489 SKPWIDCXMXEDEP-UHFFFAOYSA-N 445.567 4.241 10 20 IICD Cc1ccc(Cc2nc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cs2)cc1 768341438 KTVRZUDQPIZFIK-UHFFFAOYSA-N 435.593 4.181 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CC[C@@H]3n3ccnc3)CC2)cc1 769097337 ZCKCFQQCDMVWKJ-LOSJGSFVSA-N 445.567 4.089 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc2c(cc1Br)CCC2 772545508 FGIHTJFFDBTEER-UHFFFAOYSA-N 444.373 4.438 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccccc2)CCCC1 773629005 PJOIZOCYAOOZRT-IBGZPJMESA-N 439.575 4.487 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cnn(CC(F)F)c1 777668534 QKODKOTUBDTCLB-UHFFFAOYSA-N 438.403 4.091 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O 782540412 VXJYYBYPINKDTP-HUUCEWRRSA-N 429.355 4.089 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@@H](C)C[S@@](C)=O 784516316 IRMOPRWHQRHHAF-NKJVLWMNSA-N 441.519 4.248 10 20 IICD COc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(OCCOC(C)C)c1 789656111 VBRAAKDMORCPSY-UHFFFAOYSA-N 446.507 4.461 10 20 IICD COC1(C(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)CCOCC1 792718169 KAJMVEBLOGBERQ-UHFFFAOYSA-N 440.323 4.322 10 20 IICD COC(=O)CN(Cc1nc2cc(Br)ccc2o1)Cc1cc(Cl)ccc1O 795957500 SRWUPYJGFGBXHS-UHFFFAOYSA-N 439.693 4.125 10 20 IICD Cc1ccc([C@@H](NCc2cc(Br)cc(C)c2O)[C@@H](C)S(C)(=O)=O)cc1 798087986 CDMCEZAEVNPVRP-KDOFPFPSSA-N 426.376 4.036 10 20 IICD CC(C)CNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 799994566 QTDGEBTWNMVUSM-SFHVURJKSA-N 449.039 4.270 10 20 IICD Cc1cc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CC(C)C)c(C)n1-c1ccccc1 802671997 YXPJMUWWSPXWJQ-JOCHJYFZSA-N 446.599 4.210 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C[S@](C)=O)cc3)cc2Cl)C1 805451169 ZMTNPAUAJPUQEZ-ZOKDDAQRSA-N 448.032 4.454 10 20 IICD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 807673793 ZGKFXKMLXVSTDK-HXUWFJFHSA-N 433.552 4.103 10 20 IICD CC(C)c1scnc1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 811265862 SNKSEXZTRHBZEC-CYBMUJFWSA-N 448.500 4.226 10 20 IICD O=C(c1ccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)cc1)N1CCOCC1 815567740 JWPOUTOVTYZTCN-VWLOTQADSA-N 430.548 4.328 10 20 IICD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 914485642 XASGNPZOAKBSHI-INIZCTEOSA-N 429.561 4.143 10 20 IICD COCC(=O)Nc1cccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 914606406 KLQFUWDUSSOUNE-UHFFFAOYSA-N 439.943 4.191 10 20 IICD CCCN(CCC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 915681714 DRGQMKDRBLDBSZ-UHFFFAOYSA-N 429.630 4.387 10 20 IICD CCOc1cc(/C=C(\C(=O)OCC(=O)c2ccc(O)c(O)c2)c2ccccc2)ccc1O 916617978 XWPHWNBRTCYAPE-UNOMPAQXSA-N 434.444 4.169 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 916631498 IFUOQLWKZFVBGJ-UHFFFAOYSA-N 438.406 4.080 10 20 IICD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916710007 DKJHQIYZJKBUDL-JOCHJYFZSA-N 437.540 4.231 10 20 IICD CN(C)c1ccc(CN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C2CC2)cc1 917074136 QJCKTVREUWFDES-DEOSSOPVSA-N 449.595 4.242 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)s1 917872906 RKKVIQOSEZXGCJ-UHFFFAOYSA-N 426.566 4.181 10 20 IICD C[C@H](NC(=O)CCCOc1ccccc1Br)c1ccc(N2CCOCC2)cc1 920882048 LBUPXXZUFXXXNL-KRWDZBQOSA-N 447.373 4.322 10 20 IICD COc1ccccc1OCc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 920882140 PUJVEERWVQZJKQ-GOSISDBHSA-N 436.508 4.195 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 921239751 ZCAHSTAWXLBFJV-UHFFFAOYSA-N 435.977 4.240 10 20 IICD Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1337785419 LYXWPOOAYLQSMV-RXVVDRJESA-N 447.558 4.294 10 20 IICD O=C(CSc1nccc(C(F)(F)F)n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 26476752 ASTJFFODUDTBAH-UHFFFAOYSA-N 443.406 4.002 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 97044421 SVNZSIYVYQZGIE-LOSJGSFVSA-N 438.568 4.132 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccccc4Cl)n3)CC2)cc1 302611224 OBVCBSGFQVEFLY-UHFFFAOYSA-N 427.957 4.363 10 20 IICD Cc1c(CNC(=O)c2ncc(Br)cc2Br)n(C)c2ccccc12 471232257 UVIJIHBTKZBGRW-UHFFFAOYSA-N 437.135 4.337 10 20 IICD Cc1c(CNC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)n(C)c2ccccc12 473271206 RTHNHFWYMKNHSA-UHFFFAOYSA-N 425.492 4.071 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CCNC(C)=O)Cc3ccc(C)s3)ccc21 512057724 MYVICUZYLFUMJM-UHFFFAOYSA-N 441.597 4.053 10 20 IICD COc1ccccc1C1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)CC1 551490439 PVZMOPQPWMPTGU-UHFFFAOYSA-N 431.517 4.350 10 20 IICD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 580232991 GTYLBUWWFHSZBG-GOSISDBHSA-N 431.458 4.221 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 727249591 CFGAZNQBCHVUAF-UHFFFAOYSA-N 426.878 4.190 10 20 IICD CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 728638171 XOMFFGXZELFUBO-GOSISDBHSA-N 438.524 4.487 10 20 IICD Cc1cc(C(=O)N2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccc(Br)cc1 729446649 YEGYGPCLLJXOHQ-UHFFFAOYSA-N 444.373 4.084 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2csc(I)c2)cc1 730743045 BFUSQOJMMLVVJX-UHFFFAOYSA-N 428.339 4.471 10 20 IICD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1ccc(N(CC)CC)c(F)c1 731404752 PPKOMZIRBNZOAQ-UHFFFAOYSA-N 428.552 4.105 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2cnn(C(C)C)c2n1 742800853 VCJUYUYDKAUDNX-MRXNPFEDSA-N 443.498 4.321 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)c1 743284060 IWRLCEYQZLJXPM-REZTVBANSA-N 446.916 4.474 10 20 IICD C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 743564976 RMAJPCVAFRMBFL-QUCCMNQESA-N 442.991 4.206 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 744231682 MGOWCYAESQSJSS-NRFANRHFSA-N 434.536 4.110 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCc2ccccc21 745587880 HHZYOMRQIIAFTR-OAHLLOKOSA-N 432.362 4.137 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 746362987 FQVSYTXPONXPPI-UHFFFAOYSA-N 438.753 4.156 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NOCc1ccc(C(F)(F)F)cc1 746714802 HXKSWADGWKTLOO-UHFFFAOYSA-N 425.476 4.190 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)C[C@@H](C)O1 747543166 ISDJKOWUFRFWKL-KDURUIRLSA-N 440.613 4.175 10 20 IICD C[C@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 749221301 FQKYMXCLHUPMFA-LJQANCHMSA-N 434.540 4.318 10 20 IICD Cc1cnc([C@H](C)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 750086755 NCQBFQYQBUJWCG-CJAAZZPWSA-N 437.637 4.372 10 20 IICD Cc1nc(Cl)ccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 752017542 YTWJBUCBAKEIQX-SFHVURJKSA-N 432.952 4.105 10 20 IICD CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ncc(C(C)(C)C)s2)cc1 759713639 JZRNNAOKYUVMCQ-ZDUSSCGKSA-N 441.644 4.247 10 20 IICD CC[C@@H](C)Oc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 759955465 GIBXOSIXTMTDSB-QGZVFWFLSA-N 443.544 4.244 10 20 IICD COc1cc(-c2noc(CN3CCCc4cc(OC(F)F)ccc43)n2)cc(OC)c1OC 767891732 RALWBNNRUGZPGZ-UHFFFAOYSA-N 447.438 4.317 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2cccc(F)c2)CCOCC1 768916832 UWNMYOQBGVVNAU-OAQYLSRUSA-N 446.950 4.014 10 20 IICD COc1cc(N[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc(OC)c1 769021614 IAEOLGUJFSUARA-HXUWFJFHSA-N 438.572 4.090 10 20 IICD COc1ccc(CCC(=O)N2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc1 769207913 DFOPRFLZTIJNMQ-UHFFFAOYSA-N 435.612 4.353 10 20 IICD C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)Cc2ccccc21 769616090 TYWMDTZJABGDJH-CQSZACIVSA-N 428.535 4.014 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 769629121 FATRAPNSADJXNA-QGZVFWFLSA-N 442.459 4.150 10 20 IICD CCCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCCC 771215698 ZDWSDXKLJFWUBA-UHFFFAOYSA-N 426.557 4.373 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc2ccccc2[nH]1 775622216 ROLDOBZALWVCIE-SFHVURJKSA-N 430.531 4.274 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nc1-c1cccc2ccccc12 777696539 YMNALODYFSQCGY-MRXNPFEDSA-N 440.550 4.230 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC3 778629393 GPJJTLYTTBWONJ-QUCCMNQESA-N 432.568 4.231 10 20 IICD COc1ccc(NC(=O)C2(NCc3cccc(Br)c3O)CCCC2)cc1OC 779177476 BMDPRINEVBLKKC-UHFFFAOYSA-N 449.345 4.213 10 20 IICD COc1cccc2c(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccnc12 780530120 RLEAHNOVIAIFJM-UHFFFAOYSA-N 444.514 4.111 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)CC)nc3)SC2=S)cc1 790106353 DUCGVQZIEHMVRT-SFQUDFHCSA-N 427.551 4.120 10 20 IICD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc(Cl)cc(Cl)c3O)c2)C1=O 790612344 WYONOELCMCFZDB-OAQYLSRUSA-N 434.323 4.214 10 20 IICD CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C 792922610 ZQSILBSUIXWTJY-HXUWFJFHSA-N 437.506 4.479 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(Br)c1 794681502 SEIQSLIEUNCLDJ-MHWRWJLKSA-N 435.368 4.297 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cnc1Cl 799187298 PILZPAZFNOQNDG-UHFFFAOYSA-N 448.957 4.161 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cc3ccccn3)ccc2C)cc1F 802555619 VOQMDUUCKYSDLA-UHFFFAOYSA-N 448.542 4.221 10 20 IICD NC(=O)CSc1nnc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1 843462764 MLSSVIHWLXLBKZ-UHFFFAOYSA-N 444.567 4.262 10 20 IICD O=C(NCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915759352 YSVVPBXFWSQGSI-UHFFFAOYSA-N 449.898 4.240 10 20 IICD COC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 917938426 MJZPEQDIHZMUPK-CQSZACIVSA-N 443.459 4.079 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3cc(OC)c(OC)cc3C)CC2)cc1 918066259 QYJIERQABQBAOA-GOSISDBHSA-N 427.545 4.004 10 20 IICD Cc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c(C)n1-c1cccc(Cl)c1 919978422 UWBSIIUSFMXFBR-UHFFFAOYSA-N 425.916 4.467 10 20 IICD C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(N2CCOCC2)cc1 920887680 GPZBZCMESZJOEQ-CQSZACIVSA-N 428.330 4.258 10 20 IICD CCOCCCNC(=O)C1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 1248728181 BESNSNFBYAEHSS-UHFFFAOYSA-N 445.991 4.143 10 20 IICD C/C=C(/C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780987807 CQNZKYYQQZOXBU-NIXMHJDOSA-N 449.595 4.188 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)C3CC3)[C@@H]2c2cccnc2)cc1 1813716624 DPQYUTPCIBNSPJ-ZCYQVOJMSA-N 442.563 4.219 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OC(F)F 209554203 PJTPGTQQPQIUSQ-OVCLIPMQSA-N 437.445 4.401 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727931343 VPLUXXRTIXEMLG-MSOLQXFVSA-N 435.351 4.365 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)CC2)cc1 729053094 AUHJQDDMGWCART-JOCHJYFZSA-N 429.948 4.101 10 20 IICD C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 730481464 JSPSBIQCDWCMDO-MAUKXSAKSA-N 448.394 4.190 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1F 731364368 YLQHHGATJIVVET-OAQYLSRUSA-N 427.499 4.133 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ccncc3)ccc2C)cc1F 731408762 VLDQULUCGDWLOU-UHFFFAOYSA-N 434.515 4.297 10 20 IICD COc1ccc(CN(C(=O)COC(=O)c2cc(O)cs2)[C@H](C)Cc2cccs2)cc1 732354533 UKWIKVGJPVRNHD-OAHLLOKOSA-N 445.562 4.341 10 20 IICD COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CCC(=O)N2C)cc1 734424260 BDBZYDPWHSVVHX-AOYPEHQESA-N 449.595 4.254 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1CS(=O)(=O)c1ccccc1 741067467 MTBNAMVCWWAYKT-UHFFFAOYSA-N 447.560 4.358 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSc3ccccc32)NC(=O)OC(C)(C)C)cc1 742752838 HOIWKNFJRDLFTH-UXHICEINSA-N 441.597 4.324 10 20 IICD CO[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1 743555405 XVWXAEXOIMYJAN-DMPWYTOCSA-N 449.954 4.280 10 20 IICD C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1Cl 744473713 JFNVIPPJAVOVQT-ZDUSSCGKSA-N 433.847 4.299 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOc1ccc(OC)cc1 745767509 OJCMSHGETHZZHJ-UHFFFAOYSA-N 437.334 4.164 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 749590961 UDIOWHKMGVZUPV-RDPSFJRHSA-N 439.600 4.137 10 20 IICD Cc1cc(-c2csc(Cn3ccc(O)nc3=O)n2)c(C)n1-c1ccc(OC(F)F)cc1 749846510 XWYHPWFNHDADCW-UHFFFAOYSA-N 444.463 4.130 10 20 IICD CCn1nc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1C1CC1 750143972 RGGRJOWBROWANR-LFIBNONCSA-N 446.623 4.462 10 20 IICD COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc(OC)c1OC(F)F 751301476 DSKDEUTUJSUIBK-UHFFFAOYSA-N 440.406 4.267 10 20 IICD CC(C)OC1CCC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 752681138 KLKSONOPJVBUKC-HFCFLWKCSA-N 425.520 4.292 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F 755201281 FTCVKRSTLXPZPY-JXFKEZNVSA-N 429.492 4.111 10 20 IICD Cc1cc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c(C)n1-c1cccc(Cl)c1 756376768 KNWCMPJPMCLOQL-UHFFFAOYSA-N 443.035 4.237 10 20 IICD CC(=O)Nc1cccc(OCCN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756680700 ARVKJKJIWLLHLR-NSHDSACASA-N 427.726 4.496 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 757791611 DXHCPQBGZGZVHB-GOSISDBHSA-N 446.345 4.184 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)CC2)cc(OC)c1OC 759242511 ZLDYLRXAERXNHF-XZOQPEGZSA-N 446.547 4.318 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1Br 760677673 BIOXNZUZTLORAG-UHFFFAOYSA-N 441.728 4.133 10 20 IICD O=C(NCc1cc(Cl)ccc1OC(F)F)NCc1cccc(Br)c1O 764792542 VRZNMLCDMZZBFN-UHFFFAOYSA-N 435.652 4.409 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3cccc(C)c3)c3ccccn3)CC2)cc1 766265059 UDRCWLPVZOPPQM-RUZDIDTESA-N 430.552 4.410 10 20 IICD COc1ccc(-c2nn(CN3CCCc4cc(OC)ccc43)c(=O)c3ccccc23)cc1 766341758 PCUQHTWZBVJWLB-UHFFFAOYSA-N 427.504 4.491 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S 766672282 PPAKGBVTWHPPRT-LDADJPATSA-N 431.510 4.471 10 20 IICD C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1cccc(Br)c1O 775152745 PPDJBVSLPHBPBN-NSHDSACASA-N 442.151 4.424 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1 779692239 COHAJPFWDNZEFC-IBGZPJMESA-N 428.920 4.468 10 20 IICD Cc1cc(F)ccc1-n1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 783046351 JMAIEVHATWDLHK-UHFFFAOYSA-N 444.457 4.320 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)c2)n[nH]1 783484443 CJGDJMSEMVHYEE-MRXNPFEDSA-N 440.507 4.095 10 20 IICD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788909782 HJFPSJXIAXNUEA-HSZRJFAPSA-N 437.584 4.205 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCSCc1ccccn1 791249878 KITLCCRQARONSA-UHFFFAOYSA-N 429.586 4.094 10 20 IICD O=C1/C(=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)SC(=S)N1Cc1ccon1 794681063 RCUIJDIKSZSOKS-VIZOYTHASA-N 436.440 4.281 10 20 IICD Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 799274692 FZXPMBWBZNUWKG-UHFFFAOYSA-N 428.496 4.093 10 20 IICD CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807245827 HJMOQMZWNPMCAN-XMSQKQJNSA-N 430.589 4.011 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(C2SCCS2)c1 807511263 JMRDWRNFMOGOHZ-UHFFFAOYSA-N 443.377 4.433 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccs1 812358902 NFVHIVDIFKPMPS-UHFFFAOYSA-N 444.520 4.046 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 915778626 MJCZIUJYDOJJQI-UHFFFAOYSA-N 447.510 4.260 10 20 IICD C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 916732568 SJEKXCWOXCTNFN-MRXNPFEDSA-N 449.414 4.425 10 20 IICD CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 917423457 YXDAJBAYEAKAMY-UHFFFAOYSA-N 434.490 4.497 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1nc2ccccc2[nH]1 917558502 VAWLRGAXGYQARM-LFIBNONCSA-N 443.575 4.349 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 917772393 WRAIXRINGATYTD-UHFFFAOYSA-N 437.927 4.472 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3-c3cccs3)cc2)C1 918030256 KOGIYWJRMFVXFN-SFHVURJKSA-N 434.565 4.439 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)ccc21 1116047619 FDSGSJDWNHMTFV-INIZCTEOSA-N 431.577 4.280 10 20 IICD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 20865199 OWCQPEIDZQRKQL-UHFFFAOYSA-N 447.491 4.051 10 20 IICD COc1ccc(CSCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 32277311 SIFZQIVLCZNZHD-UHFFFAOYSA-N 443.569 4.486 10 20 IICD Cc1nc(CN2CCC(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)cs1 110437693 VAJXGPGPOKDXPL-UHFFFAOYSA-N 426.630 4.312 10 20 IICD COc1ccccc1CC(=O)N1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1 725851433 PYNLNDYYPKRFFQ-UHFFFAOYSA-N 430.548 4.391 10 20 IICD Cc1cc(C(=O)CSc2nncn2CCc2ccccn2)c(C)n1-c1cccc(F)c1 727744726 FTOGVVZOUPLXGC-UHFFFAOYSA-N 435.528 4.437 10 20 IICD COC(=O)CSCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 728696352 WKTDHCCXCBUOLE-FQEVSTJZSA-N 444.553 4.012 10 20 IICD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 731105288 JQFIGOVXFJRMNJ-UHFFFAOYSA-N 433.560 4.146 10 20 IICD CSc1ccc(N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 732939907 UEDPFIPSHSHJEZ-UHFFFAOYSA-N 432.457 4.369 10 20 IICD C[C@@H]1SCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]1C 735644424 IUDWZYFVQJCBNH-XFUXPEIASA-N 426.654 4.082 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cccc(Oc4nccs4)c3)cc2F)CC1 736480030 VCZOPDHYYSYBLP-UHFFFAOYSA-N 440.544 4.146 10 20 IICD C[C@@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 741544414 LTQDMTMNZVYIBH-LJQANCHMSA-N 437.584 4.132 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1C(F)(F)F 741545075 YQGKVDVAUJPACR-AEFFLSMTSA-N 447.501 4.217 10 20 IICD O=C(CSc1ccc(F)c(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799592 ZMUUSKYQUUDUEF-ZDUSSCGKSA-N 428.451 4.444 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)c1 743284439 MTASOGDJUSGGEK-DEDYPNTBSA-N 444.553 4.467 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C(C)C 753468690 WWXWCMXTPCICOR-HUUCEWRRSA-N 429.536 4.332 10 20 IICD CC(=O)N1CC[C@@H](CN(C)CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1 755045683 MPNWATFGJAMSNH-KRWDZBQOSA-N 436.383 4.384 10 20 IICD Cc1ccccc1C(=O)NC1CCN(C(=O)CSc2ncc(C(C)(C)C)s2)CC1 759719838 OPMOXDBIHGKYBU-UHFFFAOYSA-N 431.627 4.262 10 20 IICD C[C@@H]1CCCN(Cc2ccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2)C1 761006098 RCIOHBICVOYZNP-QGZVFWFLSA-N 441.959 4.242 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3csc(C(C)(C)C)n3)cc2F)C[C@@H](C)O1 765658967 MMBIJDAOLULZNW-HZPDHXFCSA-N 448.608 4.235 10 20 IICD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 766057638 DDZQBQISGLFVQQ-OAQYLSRUSA-N 426.948 4.230 10 20 IICD C[C@H](N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)cc1Cl 766136861 KOWDYBNAEHTVTM-RLSLOFABSA-N 444.019 4.117 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(OC(F)F)cc1 767906278 QSJSBOGLQKTMLL-GOSISDBHSA-N 448.510 4.148 10 20 IICD CCCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 768911489 PDIABEUCUCBGIT-UHFFFAOYSA-N 435.584 4.274 10 20 IICD O=C(Nc1ccn(-c2ccccc2Cl)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 769006249 BKLPPAMCSAYURY-QGZVFWFLSA-N 426.904 4.444 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 769465390 YGPMUXAYBCZDFY-UHFFFAOYSA-N 434.496 4.171 10 20 IICD CC(=O)c1cc(F)cc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O 774919032 PSEIQLUXARCAGA-IBGZPJMESA-N 438.421 4.206 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(Cl)c(Br)c3)SC2=S)CC1 775637285 ODUNBEIUPVCGDJ-NTEUORMPSA-N 431.808 4.398 10 20 IICD COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Br)c1 776158764 UKOZNJRUFKAIIL-WBVHZDCISA-N 446.389 4.010 10 20 IICD O=[N+]([O-])c1ccc([C@H](O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 776279926 YVWHNGHJPYRGIE-TZIWHRDSSA-N 425.510 4.463 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1C(F)(F)F 776467226 JXDDJLROHUCYCC-UHFFFAOYSA-N 443.263 4.235 10 20 IICD CCc1ccc([C@H](NCc2cc(OC)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 777483347 NRRTVJQMLHXTFS-DEOSSOPVSA-N 425.550 4.246 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1C1CCCCC1 781136222 JVKPMGYDNAJBOR-IRXDYDNUSA-N 428.552 4.379 10 20 IICD Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1C(=O)N(C)C(C)C 786071542 YKUUADCEJKAMJO-UHFFFAOYSA-N 434.334 4.265 10 20 IICD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)cc2)C[C@@H](C)O1 792936181 RQEHHHDMGRTSGW-CALCHBBNSA-N 449.517 4.311 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccc(N(C)C)cc1 793063133 XQIKNCYFCZDSPG-TZIWHRDSSA-N 438.572 4.162 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cnc1C 794002300 ODHOHYQNUIAION-UHFFFAOYSA-N 431.539 4.026 10 20 IICD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 797109904 RJLPVIJUTUXPOG-GFCCVEGCSA-N 428.872 4.006 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](C4(C)OCCO4)C3)cc2Cl)C1 799994806 FNQVPWVYRIBVSC-PKOBYXMFSA-N 435.996 4.261 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3Cc3ccccn3)cc2Cl)C1 800571084 FBUQTVQFJZRYGT-FDDCHVKYSA-N 426.992 4.252 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 802609704 JMDLELKLUUTFNS-UHFFFAOYSA-N 440.540 4.490 10 20 IICD Cc1cc(Cl)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1Cl 807387787 WXHFEJSCRPURNH-UHFFFAOYSA-N 432.101 4.025 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 807670743 HTYRZGLRKRNMOT-IBGZPJMESA-N 433.527 4.298 10 20 IICD CC(=O)N1C[C@H]2[C@@H](NC(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)CCC[C@H]2C1 808300535 PWEGHNFFBUKLFA-QEMXTEJRSA-N 447.023 4.023 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc2ccccc2s1 818134065 CAJSGQYLBDUUJG-UHFFFAOYSA-N 443.440 4.257 10 20 IICD C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 857758797 SETPFRMAYHBLNY-SFTDATJTSA-N 431.580 4.374 10 20 IICD CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 915849825 DRGOFHGHZLDEFM-XDHOZWIPSA-N 449.557 4.388 10 20 IICD COc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1N1CCCC1=O 916672923 MOFHERQGACHZOY-UHFFFAOYSA-N 435.480 4.355 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)s1 917218538 QTLSHKTUQQZKAL-UHFFFAOYSA-N 447.607 4.187 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2F)C[C@H](C)O1 917715928 ZNDGIMHWBASBJL-ROUUACIJSA-N 448.542 4.432 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(SC(F)F)cc3)cc2)C1 918026467 GASUNEONJAMTBI-HNNXBMFYSA-N 434.512 4.025 10 20 IICD CC(C)COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 920232757 JZSFDNIRPXJBJO-UHFFFAOYSA-N 444.507 4.189 10 20 IICD C[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920881425 VLIOCKKPLXKBBT-IBGZPJMESA-N 442.519 4.460 10 20 IICD CN1CCN(c2ccc(CNc3cc(Cl)ccc3OC[C@H]3CCOC3)cc2F)CC1 1320763897 JWMHJKIPFPEWCD-SFHVURJKSA-N 433.955 4.258 10 20 IICD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CCC1 1830737473 LAAMLZYPQQIDEU-SFHVURJKSA-N 434.964 4.175 10 20 IICD Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3C2=O)c1 18214887 HEDDPEVBLWNIOP-UHFFFAOYSA-N 427.504 4.100 10 20 IICD Cc1oc2c(CN3CCC[C@@H](C(=O)NCC4CC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 108225997 AZPVLTSRFOVZIZ-HXUWFJFHSA-N 446.547 4.212 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)n(C)c2ccccc12 476627302 CKXMJUCXPLZMNE-KRWDZBQOSA-N 435.421 4.052 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](c4ccccc4Cl)C3)ccc21 669917118 KBSFYYYBWKMSSI-QFIPXVFZSA-N 425.960 4.345 10 20 IICD C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 726613128 BWCGLIJFXDPXDK-ONGXBYRLSA-N 444.373 4.202 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)c(F)c2)cc1 727465032 ZWPGSLRFTVHEKQ-DEOSSOPVSA-N 433.483 4.442 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c[nH]nc2c1 727723673 DXWKZFTWWFOBED-YBEGLDIGSA-N 428.564 4.245 10 20 IICD COc1ccccc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 730064805 NVGQOLMPJUMVDZ-NRFANRHFSA-N 427.520 4.108 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1F 731363973 QYZHEIQEPSGCDP-HSZRJFAPSA-N 431.527 4.466 10 20 IICD CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c2ccccc21 732028029 KXONCIBKIVROCR-NBVRZTHBSA-N 443.619 4.213 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 733124864 FAODATJMNWTWKQ-BWAHOGKJSA-N 442.563 4.357 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCCCSc2nccs2)cc1Cl 733880298 FIACODKONUHJIF-UHFFFAOYSA-N 440.019 4.076 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 734648617 XPROWMVBWTVXDH-UHFFFAOYSA-N 430.552 4.355 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 735193394 INHODUDMCZFDRP-GOSISDBHSA-N 432.515 4.164 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 735517593 KZZIFNSPROWQBA-HSZRJFAPSA-N 438.568 4.476 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cc21 737382966 WFJLFGNWEPOSDP-UHFFFAOYSA-N 427.551 4.218 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1 739598915 OPNCDYJQZVUQPC-UHFFFAOYSA-N 441.597 4.350 10 20 IICD O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=Cc2ccccc2CC1 742334865 UYKSURWJTUWKNK-SFHVURJKSA-N 434.508 4.164 10 20 IICD CC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 743086920 FCZGANNBJFTBAT-MRXNPFEDSA-N 432.471 4.345 10 20 IICD O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1Cc1cccs1 743283314 ZGICRLQVVKMLHL-RZNTYIFUSA-N 427.475 4.480 10 20 IICD COc1ccc([C@H](C)CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 743554676 KDTKSDRXLIBKHG-GUDVDZBRSA-N 443.563 4.441 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2ccnc2S)cc1 743808577 YGAYVZXIJYWIJH-UHFFFAOYSA-N 432.343 4.291 10 20 IICD Cc1cc(C(=O)N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccn1 744196113 XYBBDRHHZIQZTH-UHFFFAOYSA-N 447.516 4.230 10 20 IICD Cn1cc(C[C@H]2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)cn1 746815420 JEBDCJWTODRBKG-WZONZLPQSA-N 442.523 4.032 10 20 IICD Cc1cc(CC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)c(C)n1-c1ccc(Cl)cc1 747146917 UUMQBSNDIRCALV-DNVJHFABSA-N 429.992 4.000 10 20 IICD CCOC(=O)c1c(C2CC2)csc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 747556821 KJLVXISNHXBHFQ-UHFFFAOYSA-N 443.569 4.303 10 20 IICD O=C(Nc1nc2ccccc2s1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748019261 MWJGCUBLLVRWCY-UHFFFAOYSA-N 431.520 4.117 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 748478783 UHVAONCLFSTJTM-UHFFFAOYSA-N 430.382 4.458 10 20 IICD COc1ccc(N2CCC(NC(=O)N(CC(C)C)C[C@@H](O)c3ccc(F)cc3)CC2)cc1 748628169 QLGRDHIHSZEGHZ-XMMPIXPASA-N 443.563 4.204 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 753482478 FPCIZOBUUGSNGA-KRWDZBQOSA-N 439.533 4.027 10 20 IICD C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc2ccccc2s1 754708184 YSDWWMPOJPYYDI-CQSZACIVSA-N 441.512 4.361 10 20 IICD OCC1CCN(c2ccc(CNCc3cn(-c4cccc(Cl)c4Cl)nn3)cc2)CC1 754824276 QQSOWBDIZBHMRH-UHFFFAOYSA-N 446.382 4.073 10 20 IICD Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 759019163 FAHDXDZBQIGGJL-UHFFFAOYSA-N 432.524 4.141 10 20 IICD C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 765361060 YCOHKJGOZWDBCM-KOSHJBKYSA-N 447.982 4.040 10 20 IICD C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 765686474 SVXFIMLMEHZNJU-HMHJJOSWSA-N 445.604 4.174 10 20 IICD COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 765993818 NABKESUWGIINDG-OXQOHEQNSA-N 431.964 4.026 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]nc1-c1c(F)cccc1F 767938781 OPAFUQBMSFLUGZ-UHFFFAOYSA-N 448.420 4.355 10 20 IICD COc1cc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)ccc1OC(F)F 768208208 URHYOQFTJUNDTE-UHFFFAOYSA-N 436.474 4.437 10 20 IICD C[C@H](NC(=O)Nc1ccn(-c2ccccc2Cl)n1)c1ccc(N2CCOCC2)cc1 769010950 XTRHMGRTDSVISE-INIZCTEOSA-N 425.920 4.245 10 20 IICD CCCN(Cc1ccc(F)cc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769671722 MEBXAOSQXZXCNI-UHFFFAOYSA-N 448.541 4.446 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCc4ccc(Br)cc43)cc2)C1 771381757 GWDUATSCEKYYCW-AVRDEDQJSA-N 442.401 4.318 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1)c1ccc(N(C)C)cc1 773854108 APSRFFZQKXXMNV-QGZVFWFLSA-N 435.499 4.287 10 20 IICD CN1CCN(c2ccc(CN3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2)CC1 775668969 BKJYQXZSYPZLCM-OAQYLSRUSA-N 435.547 4.007 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c1 777875464 ORLGDWBVSIOVRJ-JXAWBTAJSA-N 426.563 4.481 10 20 IICD CCC[C@@H]1C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 780588131 DUTKZACWSVNUOK-NRSPTQNISA-N 433.593 4.030 10 20 IICD COC(=O)c1ccc2c(O)nc(CN(C)c3ccc(OCc4ccccc4)cc3)nc2c1 781960678 MAGXARWQZPSMCQ-UHFFFAOYSA-N 429.476 4.337 10 20 IICD CCCOC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 782895944 HVVQNUGZFCHFBF-UHFFFAOYSA-N 438.524 4.259 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(-c2ccccc2)c1)c1ccc(N)cc1 783486205 MSCSMHDDEHZNHK-SFHVURJKSA-N 425.492 4.187 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1 784221906 IAEUOOLFCDXPRY-UHFFFAOYSA-N 425.508 4.154 10 20 IICD CC[C@@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1 785387674 LADJUAOMWVUXMB-NRFANRHFSA-N 433.552 4.184 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccnc(Oc4ccc(F)cc4F)c3)CC2)cc1F 788758331 NCXFSNGGFWZFJP-UHFFFAOYSA-N 443.425 4.262 10 20 IICD CN(C)c1ccc([C@H](CNCc2ccc(Br)o2)NC(=O)OC(C)(C)C)cc1 790980820 CYQXQUUNOPGWEC-KRWDZBQOSA-N 438.366 4.464 10 20 IICD Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 792049766 FNKIUFNYNHPBOW-CJFMBICVSA-N 430.552 4.376 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1O 796702162 LGKCRDBCDLCTHT-OAQYLSRUSA-N 439.510 4.028 10 20 IICD CNC(=O)[C@]1(C)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 797414367 NHBRNAFCKCWZRH-XMMPIXPASA-N 440.927 4.085 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NCCC2CC(OC(C)(C)C)C2)cc1)C1CCCCC1 803678033 WVPRQJOMMONWHH-UHFFFAOYSA-N 443.632 4.172 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)cc2)CC1 805023035 MAMRALDXOLUKDW-GMAHTHKFSA-N 437.559 4.131 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1cccc2cnccc12 807837673 AAKZHFPRKVZNKE-UHFFFAOYSA-N 428.279 4.066 10 20 IICD Cc1cc(C(=O)N(CCn2ccnc2)C2CCSCC2)c(C)n1-c1ccc(F)cc1 808087806 WGTJXUFFYGRZPR-UHFFFAOYSA-N 426.561 4.468 10 20 IICD O=C(CCCOc1ccc2c(c1)CCCC2)NCc1ccc(N2CCOCC2)c(F)c1 857440021 VIVSPFWLOVXFGI-UHFFFAOYSA-N 426.532 4.017 10 20 IICD COC(=O)c1c(NC(=O)[C@H](C)NC(C)=O)sc(C)c1-c1ccc(Cl)cc1Cl 914526480 BSYZABYPWKAMFB-QMMMGPOBSA-N 429.325 4.280 10 20 IICD Cc1ccc(Cl)c(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916456423 BJQKOXCOSZESKX-UHFFFAOYSA-N 442.865 4.199 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 916668904 JOICPLZQOQJCBP-CHWSQXEVSA-N 436.871 4.323 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 916694635 IISIPZGSYGXOCF-UHFFFAOYSA-N 438.572 4.106 10 20 IICD C[C@@H](c1ccccc1Cl)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917067618 PHHITXCGDVMGFE-KURKYZTESA-N 447.982 4.402 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COCc2ccco2)c1 918306532 AGSUAGLELSQPTK-UHFFFAOYSA-N 435.524 4.050 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccn(-c3ccccc3)n2)cc1 919658767 IHOQVKRRBPVZNV-UHFFFAOYSA-N 429.524 4.443 10 20 IICD C[C@@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 920887141 APZJYHRNLRETAM-MRXNPFEDSA-N 427.595 4.493 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1 1317882695 WNBXQQBSQDVFJE-UHFFFAOYSA-N 439.943 4.145 10 20 IICD Cc1c(I)cccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 1337513588 HCSURIKRMHTDSW-UHFFFAOYSA-N 427.261 4.126 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCCS2)cc1 1803330615 FPGUXTVIEIEESZ-CWKRKGSWSA-N 437.609 4.242 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCCc1ccc(F)cc1 14805146 PIAMMQIOBLRLLU-NRFANRHFSA-N 439.556 4.319 10 20 IICD Cc1c(CNC(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n(C)c2ccccc12 472286108 HYPIYUWXBKBREH-NRFANRHFSA-N 437.613 4.139 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)n(C)c2ccccc12 472802827 CNKLPJPWKZQLLV-UHFFFAOYSA-N 441.531 4.458 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 726873389 FKIDFIYXSSWBIJ-QHCPKHFHSA-N 438.572 4.057 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 729857907 LIMMXEBBGGKOGW-GLDPYIMESA-N 441.547 4.113 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1Cl 730134653 IWIFVVCUMFDYRV-UHFFFAOYSA-N 434.943 4.341 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 732476636 RAQHORPRZQYENJ-QGZVFWFLSA-N 432.362 4.355 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 734672780 XRCFSJWOLLKRHM-SFHVURJKSA-N 431.540 4.269 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(c2nc3ccccc3s2)CC1 741082816 HGUXSTASUHMLNC-UHFFFAOYSA-N 433.581 4.141 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1)C1CCCCC1 742759096 XEZFVDCZRCLLHE-UHFFFAOYSA-N 438.572 4.153 10 20 IICD CC(C)[C@H]1CN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CCS1 742908983 YRWZBLZCGZNFJE-HXUWFJFHSA-N 439.610 4.168 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 743719442 ZVNXJKNKRGSPNA-UHFFFAOYSA-N 436.533 4.002 10 20 IICD Cc1cc(-c2csc(NC(=O)COC[C@@H]3CCCO3)n2)c(C)n1-c1ccc(F)cc1 746386331 QNSFTHIVSLQEAL-SFHVURJKSA-N 429.517 4.491 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1C 749647430 JGRKEMOASRJTLL-UHFFFAOYSA-N 425.573 4.330 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750880008 NZBISYJFCSOVES-UHFFFAOYSA-N 426.698 4.315 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCCOc3cccc(Br)c3)cs2)cc1 751931886 VFKWXAMJBBUUFL-UHFFFAOYSA-N 433.327 4.314 10 20 IICD COc1ccc(N2CCN(C(=O)NCc3ccc(Oc4ccccc4)nc3)CC2)cc1F 753882535 DSOPVHQSMHPNHR-UHFFFAOYSA-N 436.487 4.053 10 20 IICD CC[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1ccccc1OCC(=O)N(C)C 756434049 TXTJGOBZDDTJJI-RDTXWAMCSA-N 435.362 4.424 10 20 IICD Cc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)c1C 756442204 CNYYFMBCKMKOKZ-IBGZPJMESA-N 435.547 4.116 10 20 IICD COc1ccc(O)c([C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 756873801 KGRYDTHZWLMBME-KKSFZXQISA-N 429.561 4.383 10 20 IICD COc1cc(Cl)cc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)c1O 758823244 YLKOTMUDAAWLOH-XMMPIXPASA-N 438.911 4.264 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(C3Cc4ccccc4C3)no2)c1)c1cccs1 761962180 CPOMWARCPXSSRS-UHFFFAOYSA-N 439.518 4.187 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 762984636 PEJMBQUDVAUMNR-INIZCTEOSA-N 441.622 4.302 10 20 IICD C[C@@H](CCc1ccsc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765602577 BBVUOZXIONYYSB-SFHVURJKSA-N 425.577 4.115 10 20 IICD COC1CCN(C2(CN[C@H](C)c3ccc(N4CCOCC4)cc3Cl)CCCC2)CC1 765859426 KKTSWEINRTTZFP-LJQANCHMSA-N 436.040 4.251 10 20 IICD O=S(=O)(NCc1cccc(Br)c1O)c1c(Cl)cccc1C(F)(F)F 766201896 WWYJGOCECQCUOI-UHFFFAOYSA-N 444.656 4.305 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3cccc(C)c3)c3ccccn3)CC2)cc1 766265062 UDRCWLPVZOPPQM-VWLOTQADSA-N 430.552 4.410 10 20 IICD Fc1ccc2ccnc(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)c2c1 769857594 BWTBWPXOUWAUAI-UHFFFAOYSA-N 432.478 4.242 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773625152 PTOZFLWZAVAXNO-QRWLVFNGSA-N 432.362 4.359 10 20 IICD C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775376789 RWORYWJYVUTBQM-DFBJGRDBSA-N 431.559 4.356 10 20 IICD Cn1c(/C(Cl)=C/c2cn(Cc3cccnc3)nn2)nc2ccc(Br)cc21 776723376 GTFQORRLLXMWMG-NVNXTCNLSA-N 429.709 4.108 10 20 IICD CC[C@H](C)Oc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccn1 776895822 GKKRJFKDQJZREO-BZSNNMDCSA-N 444.551 4.011 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 778631321 VUYJIFAZZDAXPQ-JKSBSHDWSA-N 431.964 4.313 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 780458874 XLQMQFYDXXFPLI-QHCPKHFHSA-N 432.520 4.398 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1CCN(C)C)c1ccc(N)cc1 783482760 KAFYFFXPAWIZIW-IBGZPJMESA-N 430.552 4.106 10 20 IICD CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 788913743 YYEVKVIKQZFPTN-SFHVURJKSA-N 425.598 4.281 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(=O)N(C)C)c3)cc2Cl)C1 799881537 OGSIKQNZZMFMMH-QGZVFWFLSA-N 442.991 4.278 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 802610493 CEQOEBXBDHQKLH-UHFFFAOYSA-N 446.551 4.298 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)C[C@@H](C)[S@@]1=O 804436460 YBQOOKWBWQKPIM-PCECOYNLSA-N 444.622 4.097 10 20 IICD COc1ccc(CNC(=O)NCC2(c3ccc(Br)s3)CCC2)c(O)c1 805758374 KMKUNUSWSYMFEE-UHFFFAOYSA-N 425.348 4.146 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 814284553 SJLSIDGYQAPLJI-DXHLJBJQSA-N 429.511 4.324 10 20 IICD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 915083994 UHQCAZRDKIWZDQ-OYRHEFFESA-N 449.595 4.385 10 20 IICD Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc12 916591334 ICYIEEVNSNZGDV-UHFFFAOYSA-N 442.880 4.500 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(Cc1ccccc1)C1CC1 916631217 FECNZQPMFFHAEI-UHFFFAOYSA-N 433.474 4.416 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c(C)c1 917871139 KTVCPJKMTZVCRP-UHFFFAOYSA-N 435.502 4.025 10 20 IICD C[C@H]1CN(Cc2csc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)C[C@H](C)O1 918028888 OSGADTXSTFEGDB-IRXDYDNUSA-N 443.617 4.015 10 20 IICD CCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918141642 XESVXOCUWXNZCD-ROUUACIJSA-N 442.531 4.117 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1 918187185 XSUNDMUVOWJHEE-GASCZTMLSA-N 437.462 4.040 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1N1CCCCC1 918308963 AQPALAOEAKRPCM-UHFFFAOYSA-N 434.584 4.264 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(N3CCCC3=O)c2)cc1 919656623 BRBDYQKKEOGGAY-UHFFFAOYSA-N 446.551 4.384 10 20 IICD COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921261592 MKDPNMQPIFWFKS-NVNXTCNLSA-N 445.419 4.001 10 20 IICD COc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1Br 1255083083 DRNYWVFUNPPGJP-UHFFFAOYSA-N 436.375 4.333 10 20 IICD CN1CCN(c2ccc(/C=C\c3nc(O)c4cc(Br)sc4n3)cc2F)CC1 1256382334 RLOSXSMZYFKALJ-HYXAFXHYSA-N 449.349 4.221 10 20 IICD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 1325052511 FSSJXTJNIKRAIU-FQEVSTJZSA-N 433.556 4.412 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c1 1326709970 FKBRPPRNTYDUEH-INIZCTEOSA-N 434.870 4.195 10 20 IICD CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1845502451 ZONQVDBEWYILTH-WKILWMFISA-N 434.964 4.175 10 20 IICD Cc1ccccc1CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 21728942 DYIDILYKRJOJLW-QFIPXVFZSA-N 435.593 4.489 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 59396948 XLTWIRINFHUPHK-ZDLGFXPLSA-N 447.534 4.135 10 20 IICD O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCC(CO)CC2)cc1 302985379 WEQIDKJNVUKDGF-UHFFFAOYSA-N 433.552 4.189 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3nc(-c4ccccc4OC)no3)ccc21 464914607 FNFCCDXIDUDOJS-INIZCTEOSA-N 448.523 4.454 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCN(c4ccccc4OC)C3)ccc21 486132599 IAQQMUKNUNMQLE-HXUWFJFHSA-N 435.568 4.169 10 20 IICD O=c1c(Cl)c(N2CC=C(c3c[nH]c4ncccc34)CC2)cnn1-c1ccc(F)cc1F 613400433 CVVXGSMQXBKPEY-UHFFFAOYSA-N 439.853 4.334 10 20 IICD CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1 726244513 DMRWQAMNMJUAQO-AVRDEDQJSA-N 433.556 4.425 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)CC2)cc1 726713658 PRMPEDZOZODLCC-XMMPIXPASA-N 441.547 4.194 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC1=S 727176468 KYDSJHGXCBFNBU-LPGQDOADSA-N 434.627 4.033 10 20 IICD CCN1CCN(c2ccc(CNCc3c(C)nn(-c4ccccc4)c3Cl)cc2F)CC1 730108555 OXDUHHQZOQNYEB-UHFFFAOYSA-N 441.982 4.405 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 730285591 ZEQYDKSWXAIQBN-GOSISDBHSA-N 439.556 4.233 10 20 IICD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731015359 PZSUWWYMPMIRGA-XMMPIXPASA-N 449.595 4.243 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)COCc1cccs1 731107005 MQEREJAKXPCXKJ-IBGZPJMESA-N 432.586 4.103 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCCc3cccc(Br)c3)CC2)cc1 731221983 RXYMHAFPNCPNFE-UHFFFAOYSA-N 446.389 4.312 10 20 IICD Cc1cc(Br)ccc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 732242743 HWPIDRBPIOJMKG-MRXNPFEDSA-N 432.362 4.155 10 20 IICD O=C(Nc1ccc(C(=O)NCCCSc2nccs2)c(O)c1)c1cc(F)cc(F)c1 734358169 AREBAUVMSHHRAG-UHFFFAOYSA-N 449.504 4.291 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1O 738144446 LNYODOKFWCZGBC-UHFFFAOYSA-N 446.503 4.036 10 20 IICD CC[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccncc1 741584944 HCRWCOAVJTXIBL-VAFHRPCXSA-N 431.608 4.392 10 20 IICD Cc1ccc(Br)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 741910612 WZFRSRGLYGAWMR-GJZGRUSLSA-N 435.337 4.440 10 20 IICD COC(C)(C)C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 741971752 ONZJLMMFFHEFAB-LKKYZFDUSA-N 426.629 4.049 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3OC(F)F)cc2F)CC1 743214448 IEUUANKYTNNGRR-UHFFFAOYSA-N 440.441 4.030 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743625266 YCOUUZFFWFSMKU-IBGZPJMESA-N 442.510 4.132 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[C@H]1c1ccccc1 746414568 QEZOOHNFVBAIAM-NMVJMZGASA-N 448.611 4.114 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1 746514044 ZPZOCFGNCQSAMN-RHSMWYFYSA-N 434.367 4.115 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748555820 PWSBISGECCFFMD-JLYLLQBASA-N 429.561 4.046 10 20 IICD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751935524 BJSJYABRIWGLDD-GFCCVEGCSA-N 445.928 4.162 10 20 IICD Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752828242 AYDMYGMZHHMEHG-TZIWHRDSSA-N 449.599 4.393 10 20 IICD C[C@@H](NCCc1cn2ccccc2n1)c1cc(Br)cc(Br)c1O 756391333 BPXHUBQXJJAXBS-LLVKDONJSA-N 439.151 4.458 10 20 IICD C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(NC(=O)c2ccncc2)cc1 759582655 VYAQZTWKVLEYKZ-HNNXBMFYSA-N 441.582 4.333 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Br)cc1 760469083 BTNVJXHGNYJZRU-RXVVDRJESA-N 430.390 4.392 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 765078586 MNAKKFSHAIUMSD-MHTXLSKPSA-N 426.504 4.130 10 20 IICD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCc1cccc(Br)c1O 765297684 LXESKQUIQRTLMH-UHFFFAOYSA-N 435.318 4.361 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cc(I)cc([N+](=O)[O-])c1 765648122 RZABDBDIZSJGIY-UHFFFAOYSA-N 437.237 4.052 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccccc1CSC1=NCCS1 765748530 VZWHGEQRRRLNKI-UHFFFAOYSA-N 437.384 4.421 10 20 IICD CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 769086705 HQBRJZPNFFMMSJ-UHFFFAOYSA-N 436.572 4.213 10 20 IICD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770383147 CCXIPQUOOUBYMN-MJGOQNOKSA-N 432.565 4.320 10 20 IICD O=C(NCc1ccc2c(n1)CCCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770701030 OSALTNSTQHHHKW-SFHVURJKSA-N 430.499 4.030 10 20 IICD Cc1nc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2c(C)csc2n1 771990442 ZNRYPJRFEVCQRT-UHFFFAOYSA-N 449.559 4.176 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 776214493 WJFVLSLDTFEELW-VGOFRKELSA-N 431.964 4.094 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 777665150 DYVJCVKYUHEZEO-UHFFFAOYSA-N 425.438 4.067 10 20 IICD Cn1cc(-c2nn(C)cc2C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 781299802 UEFABPRPEJDNGU-UHFFFAOYSA-N 443.467 4.032 10 20 IICD Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 786999028 MJJPJJLRNXLZRX-RXVVDRJESA-N 425.548 4.183 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](O)c1ccc2c(c1)OCO2 787631730 WBKRCTYPBZHVRK-NYHFZMIOSA-N 446.463 4.008 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3ccn(C)c23)cc1 788326258 DQMLWECSLGRJJJ-UHFFFAOYSA-N 430.508 4.005 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C 791251047 XHFBFRZHZDYREE-UHFFFAOYSA-N 434.540 4.183 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(Cl)c1Br 792503851 YOKZBCSDNSAJHF-UHFFFAOYSA-N 442.716 4.400 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(F)c(Br)c(Cl)c3)CC2)cc1 794763727 IOCYUWPSPYZFBY-UHFFFAOYSA-N 427.701 4.213 10 20 IICD Cc1ccc(-c2ccc(C)c(NCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)o1 795050108 YBULLYRYUPMBOT-UHFFFAOYSA-N 437.515 4.267 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(S(C)(=O)=O)c3)cc2Cl)C1 800514066 CURMIVZONRSMJF-OAHLLOKOSA-N 435.977 4.302 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CSc3nnc(S)s3)cc2Cl)C1 800571240 HETWDMYDHPHYOZ-NSHDSACASA-N 429.036 4.125 10 20 IICD O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3Br)cc2)SC1=S 800791324 LRSHWBGIUJIPJR-OQLLNIDSSA-N 434.336 4.402 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)s2)NC(=O)OC(C)(C)C)cc1 801162444 STDNOHJASIRAGL-KRWDZBQOSA-N 437.993 4.392 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H](O)c2cccnc2)c(C)n1-c1cc(Cl)cc(Cl)c1 803954571 SSBKPSZMAPWTQQ-FQEVSTJZSA-N 433.291 4.255 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3cccc(Cl)c3)cc2)CC1 805025023 MWBZTIJDRGKHFA-SFHVURJKSA-N 427.976 4.412 10 20 IICD Cc1ncc(/C=C\C(=O)N2CCN(C(=O)/C=C/c3cnc(C)s3)c3ccccc32)s1 809238658 MTOMBSLYFWGUCW-FKJILZIQSA-N 436.562 4.323 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1F 812018871 YOUKGKORAAYZSN-LJQANCHMSA-N 441.425 4.073 10 20 IICD CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812039565 DIGOMLVYEZZVJW-SFHVURJKSA-N 439.535 4.302 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 819057563 UUXAEDUARXZAPM-UHFFFAOYSA-N 444.578 4.361 10 20 IICD O=C(COC(=O)[C@H]1CCCCN1c1ncccn1)Nc1ccc(N=Nc2ccccc2)cc1 914659740 DOKYXCIUFFUWSF-OAQYLSRUSA-N 444.495 4.433 10 20 IICD O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)s2)SC1=S 914786699 NITGUKQYEMKLBL-QPEQYQDCSA-N 440.365 4.463 10 20 IICD Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C(C)C 919969187 HFFUDHIUWDKABN-SFHVURJKSA-N 428.548 4.302 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)o1 920661989 HSSQSPAALNPXQS-OAHLLOKOSA-N 442.899 4.405 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(N2CCOCC2)cc1 920869736 WGTQNJUYUWTDFS-JKSUJKDBSA-N 443.498 4.389 10 20 IICD C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 920882801 YURLAHGYDKFQNS-SFHVURJKSA-N 428.960 4.102 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(=O)c1ccccc1C(F)(F)F 1317966759 NUYUDIBYXJWENT-UHFFFAOYSA-N 435.471 4.334 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc1 1318411309 SBQROJJYYFXLOF-DEOSSOPVSA-N 443.547 4.445 10 20 IICD COC(=O)[C@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccc(OC)cc1 1325310219 SVLIGEYIKQGCCE-OAQYLSRUSA-N 426.900 4.400 10 20 IICD CCOCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821159124 RYCYYCFBKUSGCJ-QFIPXVFZSA-N 449.555 4.160 10 20 IICD Cc1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C)n1-c1cccc(Cl)c1 108936143 CLPNDYNVMDFWLL-QHCPKHFHSA-N 436.899 4.054 10 20 IICD CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 303230524 XQHVDUQMCIUNRD-LJQANCHMSA-N 435.490 4.363 10 20 IICD O=C1/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1CCc1ccccn1 726195912 CNWJWUPWNHTDFU-WQRHYEAKSA-N 426.954 4.365 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)ccc1O 726801243 FIVZVTBZBZJZKU-DEDYPNTBSA-N 443.546 4.006 10 20 IICD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 727121650 KHTVJVWFYBNJOD-FQEVSTJZSA-N 435.634 4.282 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 727436302 DXCDFUUDUUXPMK-NRFANRHFSA-N 436.383 4.091 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 728837688 WQFRBDWHDJSNSU-UHFFFAOYSA-N 438.475 4.388 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C 734405534 PMMHPDSGNANCPB-QGZVFWFLSA-N 434.627 4.042 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 734466855 DKYCDKQEXMERNG-VWLOTQADSA-N 445.563 4.215 10 20 IICD Cc1ccnc(-c2cccc(NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)n1 734483922 MSECRLNZLORHJD-UHFFFAOYSA-N 448.482 4.278 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 734701820 JOBUUXQDJLZVBH-UHFFFAOYSA-N 449.526 4.342 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 735394135 JFFBWAFSULOHIK-QGZVFWFLSA-N 434.492 4.104 10 20 IICD C[C@H]1Cc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc2N1S(C)(=O)=O 740800928 IRCPOOANTPBFHK-KRWDZBQOSA-N 427.570 4.030 10 20 IICD O=C(CCC(=O)c1ccc(F)cc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798489 OVXZORJHPIMQIE-HNNXBMFYSA-N 438.421 4.314 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cn1 743045615 QPCAHYIPDVTUQW-UHFFFAOYSA-N 440.550 4.422 10 20 IICD CCc1ccc([C@H](COC)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 743635235 QGPWYCLPORTXEX-BEFAXECRSA-N 437.487 4.099 10 20 IICD CCNc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 743834987 CHOYAGQKGYSOAU-HNNXBMFYSA-N 434.443 4.027 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C 743958342 RRGUPDXONPPIQF-UHFFFAOYSA-N 445.519 4.330 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1CCCC[C@@H]1C 745510066 MMQUBOPZVAJTHS-INIZCTEOSA-N 426.399 4.341 10 20 IICD CCN(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1)c1ccc(OC)cc1 747684293 YLDNLWNDGVPMOD-UHFFFAOYSA-N 440.931 4.416 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(OC4CCCCC4)nc3)CC2)cc1 750327076 PCZYEUITVIFKAQ-UHFFFAOYSA-N 438.572 4.224 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ccccc4F)c3)cc2F)C[C@H](C)O1 755837351 NSKNSORODMNSFB-HOTGVXAUSA-N 441.482 4.086 10 20 IICD CCOc1ccc([C@H](C)NC(=O)CCCNCc2cccc(Br)c2O)cc1 756150066 OLVUAOJGAVQPQA-HNNXBMFYSA-N 435.362 4.301 10 20 IICD CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 757272700 CWVSCVVNGXNPDT-NLFFAJNJSA-N 430.548 4.272 10 20 IICD CN(C)c1ccccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 762170310 MISVYPBSKSUJDE-QGOAFFKASA-N 445.635 4.112 10 20 IICD O=C(NCc1csc(CCc2ccccc2)n1)NCc1cccc(Br)c1O 765539289 QYDNNHMEBOFFNP-UHFFFAOYSA-N 446.370 4.396 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1 769529520 DIKNWZQREKOMLT-UHFFFAOYSA-N 436.533 4.370 10 20 IICD C[C@H](N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl 775567707 KIFIIMKYNRYJAO-HJPURHCSSA-N 428.939 4.489 10 20 IICD C[C@@H](NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 777120453 AWPGRAKCJXFBHP-JLTOFOAXSA-N 446.872 4.416 10 20 IICD COc1ccc(C[C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 781162747 OPAYNXAXVCFNNO-FUHWJXTLSA-N 448.510 4.269 10 20 IICD CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc(Br)ccc1O 782502693 FOSSOWFDRKWUAI-UHFFFAOYSA-N 440.269 4.053 10 20 IICD COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)c1 784006145 CNMYTAKRLNPKLP-CJAUYULYSA-N 438.568 4.019 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 784023275 AJOXVXZOFVJZEV-UHFFFAOYSA-N 434.540 4.138 10 20 IICD COc1ccc2cc(CNC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2c1 785885322 BNFZEOAGRFORKS-UHFFFAOYSA-N 445.563 4.114 10 20 IICD C[C@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O 788611107 GEXCIUUMRDXGMB-RXVVDRJESA-N 436.527 4.053 10 20 IICD O=C(c1cccc(O)c1O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 790679235 XCXNSQCSQBSBAF-NRFANRHFSA-N 437.540 4.427 10 20 IICD COc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(O)c1 790920417 JUTYWAHOLPWBPH-HXUWFJFHSA-N 438.446 4.387 10 20 IICD CN(C)c1ccc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)c(C(F)(F)F)c1 793049882 ALLAGLHYQQUSGO-UHFFFAOYSA-N 447.505 4.135 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(N(C)C)cc3C(F)(F)F)SC2=S)CC1 794859200 MCUSVRXJOKNPIZ-MHWRWJLKSA-N 429.533 4.067 10 20 IICD CC1CCN(c2ccc(CNCc3ncc(I)s3)cc2)CC1 796296933 VJCDMKRIMWJXNV-UHFFFAOYSA-N 427.355 4.274 10 20 IICD CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800517121 KUXFXXGTMOAGHK-INIZCTEOSA-N 428.964 4.187 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1 804331018 IAOFYVLSAQUCOK-OAHLLOKOSA-N 445.532 4.274 10 20 IICD COC(=O)c1cc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)cc1Br 806740036 MIXUNKWTVJYKAQ-LLVKDONJSA-N 437.290 4.141 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1 814283180 BXDPTISXIVWPRA-NDENLUEZSA-N 445.562 4.165 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C2CC2)cc1 914439113 FGINTAZOZAMQIW-UHFFFAOYSA-N 441.522 4.074 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 917237722 BSFNZNNVCRUYMP-AVFOEOQDSA-N 443.450 4.257 10 20 IICD Cc1cc(-c2csc(NC(=O)CS(=O)(=O)C(C)C)n2)c(C)n1-c1ccc(F)cc1 917572224 JWYBTCSCNQKNMB-UHFFFAOYSA-N 435.546 4.118 10 20 IICD COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(N2CCCCC2)cc1 917960438 CCYCHIKSHPHDOD-OAQYLSRUSA-N 425.554 4.452 10 20 IICD COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c1 920314975 SQOCCIRQSKDZLU-UHFFFAOYSA-N 440.905 4.498 10 20 IICD CN1CCN(c2ccc(CNc3cccc(S(=O)(=O)c4ccccc4)c3)cc2F)CC1 1333562537 NTQPVVUCPKWKAH-UHFFFAOYSA-N 439.556 4.022 10 20 IICD CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1787657215 YRLDWTZDPDMXTP-UHFFFAOYSA-N 446.551 4.350 10 20 IICD Cc1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800514272 IEGDTUXLTNUVKO-VILGAWFOSA-N 442.563 4.363 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)CC1 1824072184 ICKLLTZQWAIYPV-NSHGMRRFSA-N 446.975 4.031 10 20 IICD O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501352 FUMKXYIEWCLOIW-BPQIPLTHSA-N 446.975 4.175 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1F 21415137 PCOCFEYGNVPVKF-UHFFFAOYSA-N 429.511 4.124 10 20 IICD O=C(CSc1ncnc2ccsc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 26953212 GLZNQUDUTPIMKD-UHFFFAOYSA-N 431.498 4.198 10 20 IICD Cc1cccc(N2CCN(CCCCNC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c1 26963339 IMMZVJBQCCRSPC-UHFFFAOYSA-N 445.611 4.130 10 20 IICD Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 108287732 YQFKLRAYIIYCAY-IXDOHACOSA-N 434.939 4.485 10 20 IICD O=C(NCc1ccccc1OCC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 195556382 JTBPAYCDMUTCMC-GOSISDBHSA-N 438.446 4.224 10 20 IICD Cc1cc(C(=O)N2CCN(c3ncnc4sccc34)CC2)c(C)n1-c1ccc(F)cc1 219565823 DEOPSPSMFSSXME-UHFFFAOYSA-N 435.528 4.200 10 20 IICD CCOc1c(OC)cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1OC 725850037 GFIYSWFIFXMDAJ-UHFFFAOYSA-N 429.517 4.291 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)on4)c3C)SC2=S)cn1 726986860 ZHBKNLPEGCCTJQ-SXGWCWSVSA-N 426.523 4.200 10 20 IICD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)cc12 727243969 MSMTUTCKHSZTQV-UHFFFAOYSA-N 435.534 4.354 10 20 IICD COc1cccc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 727245074 BCGLITDSBSXHCX-UHFFFAOYSA-N 431.358 4.444 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccc(Cl)cc2)CC1 727481183 VUTKYVHNKKMYJS-UHFFFAOYSA-N 427.976 4.080 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2ccccc2Cl)C1 728949000 MDLHBVINPITQQD-OAQYLSRUSA-N 431.989 4.176 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)CC1 731015446 RWNPYCGXUJPSSP-QFIPXVFZSA-N 434.584 4.483 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCCS(C)(=O)=O)n3)c2C)cc1 731163877 CVYZMVYYXXPHSD-UHFFFAOYSA-N 431.583 4.289 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)ccc1SCC(F)F 738952461 SCNXFRZSHYLIBR-UHFFFAOYSA-N 425.476 4.341 10 20 IICD Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800901 MLPKMKNODUZVBL-QGZVFWFLSA-N 426.467 4.385 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1C 743046736 PHQIUBZBHDXYME-UHFFFAOYSA-N 428.486 4.046 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 743808689 BXYHNAJHSHDKRZ-SFHVURJKSA-N 431.374 4.415 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(NC(=O)NC2CC2)c1 743808845 HILZMODXMMWOBI-UHFFFAOYSA-N 432.318 4.101 10 20 IICD O=C(Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1)Nc1ccccc1 744402247 LAWKKDBIKNMOTN-NRFANRHFSA-N 437.565 4.211 10 20 IICD COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 746759181 RATSHNMMNYKICD-OAQYLSRUSA-N 429.536 4.258 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 749219642 DZAYZQBLHLCFQO-UHFFFAOYSA-N 427.552 4.492 10 20 IICD C[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1Cl 751932234 SSKHUOILLWXQEO-ZDUSSCGKSA-N 429.929 4.004 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCOC1 752850240 ILDWPWSOSHNCKI-OAQYLSRUSA-N 432.572 4.003 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)ccc2O)cc1-n1nnnc1C1CC1 757612245 JBFLJJWWUXXHCI-LLVKDONJSA-N 430.306 4.190 10 20 IICD COc1cc(N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)cc(OC)c1OC 759219599 DVAUNOCTOQTUBX-UHFFFAOYSA-N 444.915 4.383 10 20 IICD Cc1ccccc1Cc1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 761397327 MLGUMWYEGUFQSH-UHFFFAOYSA-N 427.507 4.204 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(F)cn2)no1 763344794 ALXWBTQYLQTXSX-ZROIWOOFSA-N 432.527 4.166 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)cc1 764630071 RXCVADKHWOQUMX-UHFFFAOYSA-N 434.462 4.423 10 20 IICD CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 765608759 KBXVBNSKOUAPHE-HXUWFJFHSA-N 438.591 4.335 10 20 IICD CCN1CCN(C(=O)Cc2ccc(NCc3cc(-c4ccccc4)ccc3O)cc2)CC1 770603120 KJTKUQSCYDRNRH-UHFFFAOYSA-N 429.564 4.378 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1cc(OC)ccc1OC 772797021 AYUPYWDLQOGLDD-CYBMUJFWSA-N 437.334 4.021 10 20 IICD Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 773008013 UOXYUCLESLXBTM-CTNGQTDRSA-N 447.583 4.009 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 773765237 VQQHVVHGVPYDCL-FOIQADDNSA-N 434.378 4.433 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ccc(Br)s2)n1 773768697 YLBMGOYRUPDMMH-VIFPVBQESA-N 439.356 4.406 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc4c(C)ccnc34)n2)c1 777665053 ATNBAHHPMGSHNW-UHFFFAOYSA-N 441.534 4.485 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 779510603 LAZBWXLLRMDZIJ-AGHZKPIHSA-N 425.872 4.221 10 20 IICD CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 785326648 BPWQXFPTDPMQRS-IBGZPJMESA-N 448.483 4.147 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(O)c2ccsc2c1 788283212 MPNWDRXOPYHYNX-UHFFFAOYSA-N 436.455 4.392 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(Cl)s2)SC1=S 790106289 BHOULSWKGAVLJU-RMKNXTFCSA-N 440.793 4.318 10 20 IICD COc1ccc(SCCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 790161402 YZZHCUXSHCQDOU-JOCHJYFZSA-N 428.598 4.451 10 20 IICD COc1cc(Br)cc(CNCc2cc(F)c(F)cc2Br)c1O 796510277 KXKOYVWWUVVRKL-UHFFFAOYSA-N 437.078 4.494 10 20 IICD COc1ccccc1-n1nccc1/C=C1\SC(=S)N(c2ccc(C(C)=O)cc2)C1=O 797399535 XXHXKEIDCQHRQH-MOSHPQCFSA-N 435.530 4.489 10 20 IICD Cc1nn(CCS(C)(=O)=O)c(C)c1CN(Cc1ccccc1O)[C@H](C)c1ccccc1 797974735 BVFFWHSXLNAMMP-LJQANCHMSA-N 441.597 4.014 10 20 IICD C[C@@H](NCCCNC(=O)/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800507158 ULWFEGHTFHIPOY-UFUQCMIWSA-N 427.976 4.047 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 803841829 GOAGSNUGOAZSDX-HXUWFJFHSA-N 446.016 4.496 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1ncc(C(C)(C)C)o1 807932327 XIZRUOPMKYWCHV-UHFFFAOYSA-N 429.561 4.293 10 20 IICD C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Br)cc1OCCCO 812783678 AXOUIAOHOWMNQR-AWEZNQCLSA-N 425.342 4.266 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(N(C)C)cc1 813720084 QTBTVHJDRBVQPG-IEBWSBKVSA-N 430.593 4.435 10 20 IICD NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 898914116 OYCAIGYMPRKRJX-UHFFFAOYSA-N 431.452 4.066 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)n1-c1ccccn1 914614285 XUUXPPSVKJXQKO-UHFFFAOYSA-N 433.386 4.183 10 20 IICD CCC[C@@H](C)N(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 915184039 MBZAETJPNJJBQZ-DYTQJMLRSA-N 441.416 4.297 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCOc3ccc(C(F)(F)F)cc3)CC2)cc1 918076050 BMTHAQNCFDQCSF-UHFFFAOYSA-N 437.462 4.015 10 20 IICD O=C(Nc1ccc(Cl)c2cccnc12)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294244 NOEKXRAJQVZHMM-UHFFFAOYSA-N 435.867 4.354 10 20 IICD Cc1cccc(-c2nc(CC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)c1 919971085 NIHRACKNFUFNML-UHFFFAOYSA-N 439.556 4.078 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 920221114 GCCSGGHQMLYGMG-FQEVSTJZSA-N 437.559 4.046 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 921200980 JBSLEKAWHCNHIM-IBGZPJMESA-N 445.032 4.219 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(Br)o1 1116702203 HWBIOKRGLJTOSE-UHFFFAOYSA-N 432.112 4.242 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1 1319496475 LGSYEDTUHPGLSS-UHFFFAOYSA-N 435.549 4.362 10 20 IICD CC(C)N(CCc1ccccc1)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1320750632 OAUNUNCOQGOLEU-SFTDATJTSA-N 441.591 4.009 10 20 IICD CCc1ccccc1NC(=O)CNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 22990331 QNAJKUUBNGVLLT-UHFFFAOYSA-N 431.536 4.019 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 110946977 VNDKILJCBISMSC-UHFFFAOYSA-N 440.588 4.398 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)ccc21 410199465 QHYNCKZRSICUPQ-UHFFFAOYSA-N 440.931 4.340 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CC3CCN(c4ccncc4)CC3)ccc21 499443320 SLOOXNXKVVGYPP-UHFFFAOYSA-N 434.584 4.288 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCOc4ncc(Br)cc43)ccc21 543501383 PLKNAQZDLNGUIE-UHFFFAOYSA-N 444.329 4.101 10 20 IICD CCOc1ccc(-n2c(C)cc(-c3csc(Cn4nc5ccccn5c4=O)n3)c2C)cc1 725841083 TVLWIADSFKVTTO-UHFFFAOYSA-N 445.548 4.474 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 727170067 FYQQALWEYGWFFM-SFHVURJKSA-N 430.570 4.008 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 727358040 AKFDGUMHIUMGEU-UHFFFAOYSA-N 425.341 4.105 10 20 IICD COc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1OC(C)C 728877100 KZYDGCHBHRPWTG-UHFFFAOYSA-N 447.535 4.227 10 20 IICD Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c(C)c2)c1 729879069 NDLBCXCRYBKOCN-UHFFFAOYSA-N 449.526 4.342 10 20 IICD C[C@@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(N2CCOCC2)cc1 730666965 IICMEFPAZIWOLM-QGZVFWFLSA-N 438.553 4.441 10 20 IICD CCCCN(C)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 730669089 VTWWXJRSYWWVHK-UHFFFAOYSA-N 428.552 4.345 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1F 731347011 HQQLANINCXZQJM-QGZVFWFLSA-N 431.577 4.357 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc3cccnc23)cc1F 731409502 UOWBXIJZLLTJCW-UHFFFAOYSA-N 428.895 4.128 10 20 IICD COc1cc(NC(=O)CCN(Cc2ccccc2O)C2CCCC2)cc(OC)c1OC 731847248 HSBHYHWELKIFLD-UHFFFAOYSA-N 428.529 4.191 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1ccc(Cl)nc1 733732298 ZSGUVLQWLJYUBS-UHFFFAOYSA-N 436.765 4.483 10 20 IICD CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl 734535994 YEMQPKQZBIKYSU-GCJKJVERSA-N 442.991 4.238 10 20 IICD CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 735519395 QXPSOSDOVBGYAL-JXFKEZNVSA-N 428.554 4.039 10 20 IICD CCc1cc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)c(O)c(C(C)(C)C)c1 738109848 WQCYWGWJRXOQSS-UHFFFAOYSA-N 440.584 4.227 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1OC 740605626 STXKEULENBKDRU-UHFFFAOYSA-N 438.914 4.060 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 742468624 NIFPSURNPUWFRG-HSZRJFAPSA-N 449.595 4.001 10 20 IICD CCCNS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743213175 GZMOWKIHFXQLQL-UHFFFAOYSA-N 445.585 4.447 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 743283432 BELCBVRTNNURCO-ORTNRGLGSA-N 425.575 4.471 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Oc1ccccc1Cl 743554994 NYRCPZYBSPFSLB-YESZJQIVSA-N 449.954 4.359 10 20 IICD O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743616008 LMDYUOWWXHAXLD-AZOIQLNYSA-N 437.437 4.390 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)cc1 743879586 FKKUMSLLQJNVMC-UHFFFAOYSA-N 442.441 4.088 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1Cl 746232954 ZIFSTJYJQWADHE-GOEBONIOSA-N 449.382 4.256 10 20 IICD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751931653 PHKXFXCZZQXNMK-GOSISDBHSA-N 441.578 4.070 10 20 IICD C[C@@H]1C[C@H](NCc2ccc(Br)cc2N2CCOCC2)c2c(O)ccc(F)c21 756759540 MLOSNHJALVAJKJ-DYVFJYSZSA-N 435.337 4.469 10 20 IICD CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 761835327 HDSWNEQNSMONGF-UHFFFAOYSA-N 437.886 4.375 10 20 IICD COc1ccccc1[C@@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761884018 CCNANSGUUONOHW-NRFANRHFSA-N 426.856 4.201 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c(N)c(Cl)c3)cc2F)C[C@H](C)O1 763937581 KENMLACORNFEAA-RYUDHWBXSA-N 426.319 4.258 10 20 IICD C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1 764788826 BZRAZHRUXMDEBD-MAUKXSAKSA-N 432.362 4.007 10 20 IICD COc1cccc(C[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2)c1 765245234 OPQFCAVZROYEJE-RPLLCQBOSA-N 443.591 4.471 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1nnc(Cc2ccc(F)cc2)s1 765278899 CXLZNTJSBAWVBF-UHFFFAOYSA-N 437.294 4.058 10 20 IICD C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N2CCCCC2)c(F)c1 765329833 ICXXSLQTKRQJEN-LJQANCHMSA-N 425.548 4.139 10 20 IICD Cc1nn(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1-c1ccccc1 766760657 IAIXIQPOIGZICN-LJQANCHMSA-N 440.494 4.245 10 20 IICD O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 767965530 XUUAVSFBCHVUIE-VSKRKVRLSA-N 427.495 4.142 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc3c(cc1O)OCO3)CC2 768179474 DBXGPDMHIRULJM-QHCPKHFHSA-N 425.506 4.347 10 20 IICD C[C@@H](Cc1ccc(O)cc1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769440332 JYALFXBQCIAVRL-RAOBZKRQSA-N 446.619 4.183 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2cccc(F)c2F)CC1 770344362 IPDZOHWZBHQEKA-UHFFFAOYSA-N 433.474 4.030 10 20 IICD CN1CCN(c2ccc(CNC3(c4cccc(OC(F)(F)F)c4)CCOCC3)cc2)CC1 775028277 OUQFGYLFNDYFGU-UHFFFAOYSA-N 449.517 4.133 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C/c2scnc2C)cc1 777245980 BIDWCSHPOGYGKW-OUKQBFOZSA-N 435.549 4.109 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccc(Cl)cc1F)c2[N+](=O)[O-] 777827402 FPJQTOJWVLZDHG-UHFFFAOYSA-N 438.798 4.093 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1O 779022138 MTSJYRBHMNCBIQ-DYESRHJHSA-N 432.406 4.102 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 779523011 YBZQGJFNANYCSJ-XFFZJAGNSA-N 448.494 4.178 10 20 IICD C[C@H](N[C@@H](CCO)c1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 781923402 NPIFNYUURJVZDI-YWZLYKJASA-N 437.353 4.199 10 20 IICD COc1ccc(N(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)Cc2cccs2)cc1 782966463 YXAMMNVJJRJVRD-UHFFFAOYSA-N 440.565 4.439 10 20 IICD Cc1cc(Br)cc2c1[C@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CC2 786795309 CFOZZUGRVYZSIE-GHTZIAJQSA-N 442.401 4.236 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCC1=CCCC1 790823806 QTKNNGUWAJLGJZ-DHDCSXOGSA-N 438.368 4.304 10 20 IICD C[C@@H](NCc1ccncc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 798939508 OPIJBAPFJKFSBP-CQSZACIVSA-N 429.870 4.364 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCNC(=O)/C=C\c1ccccc1 800759829 SZBFPEJCSWUVPU-SSZFMOIBSA-N 434.584 4.038 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 804067071 WIURAVBLFQHDFC-FQEVSTJZSA-N 446.494 4.316 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C 810391718 HHNISUBRAJGKEU-UHFFFAOYSA-N 428.602 4.199 10 20 IICD CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3cc4c(cc3O)OCO4)c2)c1 811518674 ODPWYQYUNLYPOH-UHFFFAOYSA-N 434.448 4.162 10 20 IICD Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccn1C(C)C 815710341 JIRLRFBGBXMJLC-NRFANRHFSA-N 428.577 4.439 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccccc1F 914439007 DOPNXJATIOOMLS-GHRIWEEISA-N 434.583 4.228 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 916148468 OACHBGHMPBFEIN-UHFFFAOYSA-N 425.407 4.264 10 20 IICD Cc1cc(Br)ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 916670517 SNRUWXNIWQOXSK-UHFFFAOYSA-N 432.362 4.288 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1 919819028 BEJFAHWDPOFXGZ-UHFFFAOYSA-N 446.912 4.248 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc1 1318471656 IRWPBAAGLWWXOO-UHFFFAOYSA-N 428.533 4.026 10 20 IICD CC(=O)N1Cc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2C1 1323582146 WWIQXTIVMGXKIF-UHFFFAOYSA-N 432.524 4.442 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821292527 VMUUSGQPJAINDH-MRRJBJDNSA-N 446.935 4.216 10 20 IICD O=C(c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740595 SCERSFPDYPXTQS-HXUWFJFHSA-N 442.943 4.298 10 20 IICD Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 10875936 OFSTUKUKTSDLOD-UHFFFAOYSA-N 433.847 4.219 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 108290451 WSKKTDOOUCVLAQ-CALCHBBNSA-N 439.556 4.422 10 20 IICD Cc1cc(C(=O)NC[C@H](O)c2cccc(F)c2)c(C)n1-c1cccc(Br)c1 110225305 HYSJSQMSIPTUTE-FQEVSTJZSA-N 431.305 4.459 10 20 IICD CCN(CC)[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 111072184 NVKXSBWZAUNKAJ-YDIMBITNSA-N 427.564 4.139 10 20 IICD CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 472780246 ADLIGMMHTLBPKI-UHFFFAOYSA-N 448.567 4.004 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)cn1 726986786 XXXJUXBYFZPTRO-PXNMLYILSA-N 428.926 4.335 10 20 IICD CC/C=C\COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 727043489 AIYUCCVSISXTJP-QKKCAOIGSA-N 426.357 4.160 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 729035875 DYPJSTKPIGKKLW-CYBMUJFWSA-N 439.434 4.139 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4nccs4)cc3)cc2)CC1 731131090 FPLMTADWKZJPFS-UHFFFAOYSA-N 434.565 4.301 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1F 731404400 LJBNFTVKFCIEFB-SFHVURJKSA-N 436.572 4.118 10 20 IICD Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 734770864 PIGJGVHGHNZENJ-FQEVSTJZSA-N 447.558 4.061 10 20 IICD CC(C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1 736502021 IWBTWKYXKNTCDB-UHFFFAOYSA-N 432.407 4.174 10 20 IICD CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2 741240389 MXLCTULVOPRQKW-VXKWHMMOSA-N 430.976 4.069 10 20 IICD CCn1nc(C)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C 742132915 YLYZAYCJTHJIOM-PTNGSMBKSA-N 434.612 4.201 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)cc1 742755449 WZHFYLYRSKCOOP-HXUWFJFHSA-N 447.963 4.167 10 20 IICD CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 748620505 YEHUYJWWIBHBAE-GOTSBHOMSA-N 447.595 4.056 10 20 IICD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 749602648 KWSHUMILBPCGMY-IBGZPJMESA-N 449.574 4.261 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)c2C)c1 750521258 YSVSLTGVKULWRC-IBGZPJMESA-N 447.543 4.396 10 20 IICD Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCCC2)cc1 751001531 ZEYZKYIUXXKGSR-UHFFFAOYSA-N 440.609 4.388 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nc(Cc4ccccc4)cs3)CC2)cc1F 752913917 ZKSYGNNNVNQILA-UHFFFAOYSA-N 426.517 4.236 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)cc1F 752969538 UEUJOIUNCHAEMQ-MRXNPFEDSA-N 425.508 4.206 10 20 IICD CC(C)n1cnc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 753917820 BDMQFKGQIOGJPI-UHFFFAOYSA-N 433.378 4.212 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4ccccc4Cl)n(C)c3=S)CC2)cc1F 754015023 VKVUQTCBHWKYDS-UHFFFAOYSA-N 447.967 4.199 10 20 IICD Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1cccc(Br)c1 754759699 WLLWDKOGQUTUCP-OAHLLOKOSA-N 431.330 4.024 10 20 IICD CC[C@@H](N[C@@H](C)c1cc(Br)ccc1O)c1ccccc1OCC(=O)N(C)C 756431781 DZWXNPAJSIAPTN-KBXCAEBGSA-N 435.362 4.424 10 20 IICD C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1ccc(OCC(=O)NC2CC2)cc1 756432351 QOFVKICLMBFHLU-ZIAGYGMSSA-N 433.346 4.224 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(Cl)ccc1O 756442818 GETRMIALZBNYHD-MRXNPFEDSA-N 441.938 4.152 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 760946004 BPCPMNMGUGINRS-OAHLLOKOSA-N 441.509 4.084 10 20 IICD CCOc1cc(CN(C)c2ccc(OC)c(OC)c2)ccc1OCC(=O)N1CCCCC1 761222300 SQEYUESLZQSAJY-UHFFFAOYSA-N 442.556 4.130 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccn1 761266765 FVVLJGZZSPNOHS-OAHLLOKOSA-N 431.920 4.218 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)cc(F)c1 765280967 MCOJHSPWHKXKGD-MRXNPFEDSA-N 427.474 4.071 10 20 IICD C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2CCCCC2)c(F)c1 765808769 KBUXEAUWUCLSSQ-SFHVURJKSA-N 431.577 4.207 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)ccc21 767672435 SPDLXXNLMGZFOP-UHFFFAOYSA-N 429.523 4.156 10 20 IICD Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1Cl 767683164 SRZMTAKKZVPCIO-UHFFFAOYSA-N 425.939 4.194 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ncoc3-c3ccc(F)cc3)cc2F)C[C@@H](C)O1 769865955 RJEJLQCTJNRZEL-HUUCEWRRSA-N 427.451 4.163 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1 772108557 WOHZNINCBLMSMK-NRFANRHFSA-N 437.569 4.209 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(Oc3ccccc3)cn2)cc1 773297903 XHLGCPLBBOVVJE-QFIPXVFZSA-N 432.524 4.156 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775622242 SGLUDZOONQVOSE-RBUKOAKNSA-N 443.510 4.077 10 20 IICD CC[C@H](C)Oc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccn1 776895824 GKKRJFKDQJZREO-OKZBNKHCSA-N 444.551 4.011 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1O 779010649 FOENIAGWKZPKGH-HNAYVOBHSA-N 447.373 4.223 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)c(C)n1-c1cccc(Cl)c1 779693460 NLZIGHDNKOTBIK-IBGZPJMESA-N 428.920 4.468 10 20 IICD CN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(c2ccccc2)C1=O 784509377 ZFFAMKFUOGGQSY-QFIPXVFZSA-N 441.491 4.304 10 20 IICD CCOc1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c(O)c1 793370327 QKCHZSRBVOUDIS-MRXNPFEDSA-N 434.252 4.395 10 20 IICD CCOc1cc(CNCc2ccc(OC)cc2O)cc(Br)c1OC(F)F 793386414 PMURXPKWSUZFPQ-UHFFFAOYSA-N 432.261 4.453 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)c2C)cc1 794246065 CDTCAHLVGNVOOI-UHFFFAOYSA-N 443.450 4.098 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)s1 797151944 WIUJZFFGKSLRAE-KXUCPTDWSA-N 445.358 4.022 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(N2CCOCC2)ccc1C 797688962 HINIQSYVDNNUCX-UHFFFAOYSA-N 448.361 4.354 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccccn4)no3)cc2Cl)C1 800048677 HPRPGNWHAXIVLM-INIZCTEOSA-N 439.947 4.270 10 20 IICD O=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1ccc(N=Nc2ccccc2)cc1 801948760 HCGPHDMTUAQTSL-UHFFFAOYSA-N 434.427 4.153 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 802490210 WIORAAHYOSDDJS-QHCPKHFHSA-N 448.615 4.064 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(COC)s3)c2C)cc1 803901254 FGLDVHQWYHOXNO-UHFFFAOYSA-N 428.510 4.135 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F 806846410 NBFQQRFVRYNANJ-UHFFFAOYSA-N 439.890 4.037 10 20 IICD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)sc2C1 806886046 KTBCAXJFGMTOIU-KGLIPLIRSA-N 445.585 4.214 10 20 IICD Cc1cc(O)nc2cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc12 809727439 JCFXDNWLSDALJS-GOSISDBHSA-N 425.916 4.002 10 20 IICD COc1c(C)cnc(CN2CCC(N(C)Cc3cc(Br)ccc3O)CC2)c1C 809766143 VMSKWFGAUNRQHD-UHFFFAOYSA-N 448.405 4.272 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nn1C1CCCCC1 810301274 WYCBDKROJOOQKS-UHFFFAOYSA-N 425.577 4.227 10 20 IICD Cc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c(C)n1-c1ccc(Br)cc1 814651048 XLKAOSNJWYDGCH-UHFFFAOYSA-N 437.301 4.289 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920881441 VQCQODGLJGOTOD-INIZCTEOSA-N 439.537 4.229 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 1123555742 AIIFUOCFKOESET-SFHVURJKSA-N 449.395 4.021 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c1 1252051071 AIWIAJGTJXDEBW-UHFFFAOYSA-N 430.957 4.423 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ccc(OC)cc2OC)cc1 1318506186 BLXRFIMIEGLHKN-VWLOTQADSA-N 449.551 4.367 10 20 IICD CC(C)N(CCc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1319724643 XNSYTHXGUOYCEM-UHFFFAOYSA-N 444.578 4.348 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3sc(C)c(Br)c3OC)CC2)cc1 1320024044 RSLHGMNKGXBDMD-UHFFFAOYSA-N 439.375 4.189 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(-c4ccccc4OC)o3)ccc21 1330155818 IVSVOQAAPAGDBE-UHFFFAOYSA-N 435.480 4.320 10 20 IICD Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)co1 1790776016 ZVDQQGUZTVEKNN-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)CC1 1824072183 ICKLLTZQWAIYPV-HBFSDRIKSA-N 446.975 4.031 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(O)c(F)c3)C2)cc1 1845351201 BXBZRKUUNYXJHP-UHFFFAOYSA-N 447.510 4.070 10 20 IICD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 23744700 DVLUQLWQFBPRHR-WOJBJXKFSA-N 437.584 4.193 10 20 IICD CN1CCCc2cc(CNc3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)ccc21 58555618 YTUIZSXMXQRANU-UHFFFAOYSA-N 449.864 4.294 10 20 IICD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 303435641 GTXMMYHCHIZYDP-UHFFFAOYSA-N 440.387 4.204 10 20 IICD CN(CCCNC(=S)Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1 726478434 LAXPSLITGMZTQR-UHFFFAOYSA-N 437.657 4.032 10 20 IICD CCOc1cc2c(cc1NC(=O)NC1CCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2 726695466 UYOKYJGSPPWIJW-INIZCTEOSA-N 425.529 4.208 10 20 IICD C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc2ccccc2[nH]1 726708940 SLLIETCVJJZVIR-AWEZNQCLSA-N 429.471 4.194 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 727170458 QKCWKLHEADAWEE-UHFFFAOYSA-N 449.532 4.006 10 20 IICD COc1ccccc1[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 730064672 KFUNYYFXTAXDMM-JOCHJYFZSA-N 441.547 4.232 10 20 IICD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 730418064 XXAALSNEMOIXBV-UHFFFAOYSA-N 442.440 4.416 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1cc(F)ccc1F 731036743 OQHFBVFEGUKTNO-UHFFFAOYSA-N 431.483 4.381 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3cccc4ncccc34)c2C)cc1 731327510 OWMLVIKXYJZVSU-UHFFFAOYSA-N 428.540 4.242 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(OCC3CC3)cc1)c2[N+](=O)[O-] 733116250 FMPPXZKLJNDLMS-UHFFFAOYSA-N 442.427 4.411 10 20 IICD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCSc1nccs1 733880309 GAFINFAGMVXONO-UHFFFAOYSA-N 425.583 4.187 10 20 IICD CCOc1cccc(NC(=S)NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 742971536 SMWQBXYBAXWKJL-UHFFFAOYSA-N 445.379 4.234 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(N2CCCC2=O)cc1 745361034 PMKIWYJVISIMRV-UHFFFAOYSA-N 446.345 4.013 10 20 IICD COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 746479286 NPHIXSLDCXPHFV-ZCYQVOJMSA-N 445.519 4.409 10 20 IICD COc1ccc2ccc(O)c(CN3CCC(OCCCNC(=O)OC(C)(C)C)CC3)c2c1 749022338 QEHIABDCFUNPAA-UHFFFAOYSA-N 444.572 4.450 10 20 IICD Cc1cc(C(=O)Cn2c(-c3ccncc3)noc2=O)c(C)n1-c1cccc(C(F)(F)F)c1 749357458 FRNFDVRLFYUAJM-UHFFFAOYSA-N 442.397 4.208 10 20 IICD COc1cc(Cl)cc(CN(C)CC(=O)Nc2ccc(Br)cc2C)c1O 761182477 FULTVHHSIPZXTO-UHFFFAOYSA-N 427.726 4.196 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)C1 761386511 YIEXQRURMYYZQC-CYBMUJFWSA-N 440.758 4.279 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1F 762657730 NPSTUHAVEBDNMH-KKSFZXQISA-N 436.934 4.176 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OCC(F)(F)F)cn1 764831112 WTSPDLUQDVFLTN-UHFFFAOYSA-N 445.388 4.023 10 20 IICD CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 765010848 FYTKKINOKPOYOU-UHFFFAOYSA-N 443.613 4.043 10 20 IICD COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765276589 LPNWBYXFPGAVDF-DEOSSOPVSA-N 447.558 4.118 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CC[C@@H]5CCCC[C@@H]5C4)n3)CC2)cc1 771068727 SQKKCKZUVCZOJK-XUVXKRRUSA-N 438.572 4.043 10 20 IICD CCCc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1-c1cccc(C)c1 773581596 RHWSTXHOEATFJO-GOSISDBHSA-N 433.556 4.015 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 774829425 NZHLHHSHCGLUNG-UHFFFAOYSA-N 447.501 4.013 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@H](O)c1c(F)cccc1F 776208996 GKNXPGXZFGMUTP-ZDUSSCGKSA-N 437.078 4.019 10 20 IICD C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 776814074 BCRHJDKDLWBKTJ-IBGZPJMESA-N 425.548 4.390 10 20 IICD CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1 777668478 XGBUHSQSXNKMMZ-UHFFFAOYSA-N 443.594 4.242 10 20 IICD CC[C@@H](C)Oc1cc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)ccn1 777761386 ZCAXJYQJFSOZGC-CQSZACIVSA-N 436.350 4.459 10 20 IICD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 779981699 SIOJNNGCTMIWNW-HNNXBMFYSA-N 439.453 4.112 10 20 IICD CNC(=O)C1(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)CCC1 781897067 NDEWIJQJTKJZQK-UHFFFAOYSA-N 426.517 4.212 10 20 IICD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783486202 MPMCYPAHYSOBOS-IBGZPJMESA-N 430.552 4.372 10 20 IICD COCCn1ccc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)n1 784019584 SWTRBFYCQXROGJ-UHFFFAOYSA-N 439.516 4.452 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSc1ccc(F)c(F)c1 791246730 QWBCBYFYSLRGOV-UHFFFAOYSA-N 436.524 4.446 10 20 IICD O=C(c1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cc1)N1CCOCC1 796262941 PXPNVEBQNINFFG-UHFFFAOYSA-N 441.575 4.012 10 20 IICD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 799262320 SJFWWACQBPLKMF-UHFFFAOYSA-N 431.540 4.282 10 20 IICD COc1cccc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636575 LFTUJJILRQHPAL-HNNXBMFYSA-N 429.948 4.148 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc4nccnc4c3Br)ccc21 806673894 HLKHNGODTDQUOF-UHFFFAOYSA-N 426.318 4.096 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 807254379 BBUZBXVTPRWFRX-UHFFFAOYSA-N 425.573 4.377 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2ncsc2c1 807565152 HLZQQUKXALXZND-KRWDZBQOSA-N 436.581 4.122 10 20 IICD COc1ccc(-n2ccnc2SCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 807835827 KTXSMBYGBZKACB-UHFFFAOYSA-N 438.336 4.302 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2c(nc1O)CCCCC2 819519546 XORALHNHFIBDOG-UHFFFAOYSA-N 439.556 4.058 10 20 IICD COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)N(C)C)c1 915726082 XDMGLGNDNZACNK-QHCPKHFHSA-N 445.523 4.468 10 20 IICD O=C(NCc1ccc(Br)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916594088 PNTDWFZSVATGEB-AWEZNQCLSA-N 425.348 4.107 10 20 IICD C[C@H]1CN(c2ccc(CNC(=S)NCCSc3ccccc3)cc2F)C[C@@H](C)O1 917581327 VJCJMWXPOGBJJL-CALCHBBNSA-N 433.618 4.196 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 918441320 ZEHHOHSSUSVQOV-UHFFFAOYSA-N 445.588 4.470 10 20 IICD C[C@H](Cc1cccc(Br)c1)NC(=O)NCc1ccc(N2CCSCC2)cc1 920419883 NRBZXQAUKTWNSE-MRXNPFEDSA-N 448.430 4.433 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(Oc4ccccc4)CC3)cc2F)C[C@@H](C)O1 1318049536 ROGAXYINWYSQQK-KDURUIRLSA-N 441.547 4.192 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3[nH]c4ccc(C)cc4c3Cl)cc2F)CC1 1322563284 RUOZQUPYPONCHV-UHFFFAOYSA-N 428.939 4.341 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 110357438 ISTLVFGIGKDKOM-UHFFFAOYSA-N 435.549 4.408 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 248140743 PWNGTCBDVRMLNY-LEWJYISDSA-N 429.358 4.300 10 20 IICD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C2=S=CC=C2)o1 543076321 ARIJXXBKAUYZSL-IBGZPJMESA-N 432.549 4.110 10 20 IICD CNS(=O)(=O)c1ccc(Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c([N+](=O)[O-])c1 725790609 JYLOJQRYZYWEMD-HNNXBMFYSA-N 426.498 4.420 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 726566473 ZNOVAYGZDCUVAE-FQEVSTJZSA-N 443.538 4.285 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 726601612 OKGWQHBOVRXZPO-UHFFFAOYSA-N 434.561 4.214 10 20 IICD O=C1/C(=C/c2ccccc2OCc2ccccn2)SC(=S)N1CCc1cccnc1 727864203 UFHOOHXVFNQRKM-STZFKDTASA-N 433.558 4.500 10 20 IICD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@@H]1Cc2ccccc2O1 728021988 LUGOVDLQEQPFPY-QFIPXVFZSA-N 429.384 4.277 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(I)cc(C(F)(F)F)c1 728069157 XJCPYYZRCDGDPV-UHFFFAOYSA-N 435.183 4.288 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(Sc2ccccc2)CCCC1 733555800 CTMACJACMAWGKR-UHFFFAOYSA-N 426.582 4.359 10 20 IICD O=C(NCCCSc1nccs1)c1cnn(-c2ncccc2Cl)c1C(F)F 733973059 RSJHJSXDICVCNL-UHFFFAOYSA-N 429.905 4.227 10 20 IICD C[C@H](Oc1ccccc1Br)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 735519191 PGRQTNZVLQZFSY-RDJZCZTQSA-N 434.330 4.130 10 20 IICD O=C(COC(=O)c1cc(-n2cccn2)ccn1)Nc1ccc(N=Nc2ccccc2)cc1 736851738 BXPGPIHKZZLCKK-UHFFFAOYSA-N 426.436 4.478 10 20 IICD O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742797826 HLLBAXAKNKFLCS-AWEZNQCLSA-N 437.468 4.074 10 20 IICD COCCn1c(C)cc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1C 743282054 IWVHATFAQGAXIY-YNGKYYQNSA-N 428.579 4.476 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1F 746709038 YETGDKSAOLKETQ-UHFFFAOYSA-N 439.516 4.222 10 20 IICD CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 748684356 BLADTYYBDITKQT-UHFFFAOYSA-N 440.344 4.167 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)ccc21 752314509 BBYKJMQSZLGOMI-QFBILLFUSA-N 443.588 4.280 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)cc1F 756094198 GBODUAWPXQLYAX-UHFFFAOYSA-N 432.565 4.431 10 20 IICD CCCOc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OCCC)c1 760394052 OKSFGWZZYHAVLF-UHFFFAOYSA-N 444.547 4.294 10 20 IICD CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 765281948 QSTZFJFYDDCQBL-MRXNPFEDSA-N 440.592 4.120 10 20 IICD C[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cc(Cl)c(Cl)cc1O 774345492 RFIDPKIQBJJDQG-LLVKDONJSA-N 426.325 4.461 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CC3CCC3)c3ccccc3)cc2)C1 779337257 YCTVNUJYAZPSCQ-VWNXMTODSA-N 434.584 4.119 10 20 IICD OCC1CCN(c2ccc(CNC(=S)Nc3cccc(OC(F)(F)F)c3)cc2)CC1 783725696 QOUAEOWZNMFNCK-UHFFFAOYSA-N 439.503 4.281 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3cc4ccccc4o3)cc2F)C[C@@H](C)O1 785524356 ZGNOZOVWAUCCAQ-FGTMMUONSA-N 439.531 4.153 10 20 IICD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)C1=O 790608464 GSGAKXNYAGRTQQ-SANMLTNESA-N 432.568 4.192 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)cn1 794861669 KMEHVVHVVJLVRC-SDNWHVSQSA-N 433.521 4.098 10 20 IICD CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 800635871 ACBKJPPVBXUHFA-QGZVFWFLSA-N 445.995 4.074 10 20 IICD Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636134 GATPEODWAMUFBE-CQSZACIVSA-N 439.947 4.016 10 20 IICD C[C@@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(N2CCOCC2)cc1 806614058 IRZPAYUJEWIMCI-CQSZACIVSA-N 446.429 4.083 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnccc1-c1cccc(F)c1 807510958 ATMYIGPYJHNXOQ-UHFFFAOYSA-N 434.254 4.155 10 20 IICD CCCCCn1cc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)n1 809204481 VHLLALAYWUXPEU-UHFFFAOYSA-N 440.588 4.065 10 20 IICD O=C(NCC1(c2ccc(F)cc2F)CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 809212528 JHHPJTWECXOZKJ-UHFFFAOYSA-N 442.506 4.180 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(F)c1Br 815835351 QANJSZGHXHAOLG-AWEZNQCLSA-N 441.728 4.342 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] 828576390 LKDLKVZYFJTRGD-KRWDZBQOSA-N 438.509 4.368 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3cc(F)ccc31)c2[N+](=O)[O-] 914743054 QIIPWCZCLXZHQU-UHFFFAOYSA-N 430.391 4.102 10 20 IICD CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 915315489 REAJBNDLCAEFPK-UHFFFAOYSA-N 442.007 4.404 10 20 IICD CSc1nc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2s1 916669080 VLEJTWCHJWTLBO-UHFFFAOYSA-N 432.546 4.316 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1-c1ccccn1 918141694 ZCOAKOWEPZGULO-QZTJIDSGSA-N 436.531 4.172 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 918449558 ORWBRWCILSGDJW-UHFFFAOYSA-N 447.539 4.292 10 20 IICD COc1cccc(-c2n[nH]cc2/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 918711845 CMKACIAAIVBQQG-YVLHZVERSA-N 437.502 4.189 10 20 IICD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971189 JZHJAHYMKWKOOU-CYBMUJFWSA-N 441.330 4.177 10 20 IICD C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(N2CCOCC2)cc1 920881303 MMPJOPJEGFLUNE-INIZCTEOSA-N 425.529 4.206 10 20 IICD C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)c1c(Cl)cccc1Cl 1254184418 NIQZIYNMRQYKHA-SZNDQCEHSA-N 426.363 4.096 10 20 IICD CC(C)n1c(SCC(=O)NCc2ccc(N(C)C)cc2)nc2cc(Cl)ccc2c1=O 18544474 JMXBLOYKRWCULI-UHFFFAOYSA-N 444.988 4.105 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1cccnc1Cl 24093334 UTCKLBIXXIBCEJ-UHFFFAOYSA-N 430.917 4.120 10 20 IICD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303732426 FEBPGJJAPGKTHX-KRWDZBQOSA-N 434.502 4.409 10 20 IICD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)n[nH]c1C 727242977 NFAKNOFZTOPARD-UHFFFAOYSA-N 448.570 4.117 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccc(OC)c2O)cc1 727761276 RWFCOASIVKQHOE-UHFFFAOYSA-N 429.476 4.192 10 20 IICD Cc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 730265781 YQZXZFDJOABAQV-CQSZACIVSA-N 433.533 4.167 10 20 IICD CC(C)OC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 730509419 AIWROARKGCNWND-LGMDPLHJSA-N 438.640 4.146 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 731044823 QTNBBIUOFLYFCO-VWLOTQADSA-N 449.526 4.260 10 20 IICD COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1 731843554 QFGGQTZLWHHAPJ-QGZVFWFLSA-N 433.508 4.112 10 20 IICD O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cc(O)cs1 731910538 SJCSQIWJCINJRJ-MRXNPFEDSA-N 430.869 4.235 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4ccc([N+](=O)[O-])cc4C(=O)NC4CC4)CC3)c2c1 731975862 HXPMEGUOAIFQEO-UHFFFAOYSA-N 432.480 4.271 10 20 IICD Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 734941553 FRFKEIPZRHULEJ-CVDCTZTESA-N 425.598 4.392 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC(c4ccccc4F)CC3)cc2F)CC1 737051137 YBFVZIPORIGNTN-UHFFFAOYSA-N 442.554 4.196 10 20 IICD C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 741082081 WYVFWFPSQJDRPI-GBXCKJPGSA-N 448.611 4.461 10 20 IICD CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742798549 PJDVQFALNBLFLF-WMZOPIPTSA-N 432.467 4.043 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@H]1CCOc2ccccc21 743283820 FXYOXLVGZGTBCT-QTKYHAHDSA-N 438.574 4.248 10 20 IICD COCc1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F 743598719 KPVQOCMMRACJDB-QGZVFWFLSA-N 437.462 4.042 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 745452623 NRRUKEJTLDSGQQ-ZDUSSCGKSA-N 434.334 4.406 10 20 IICD CCNC(=O)N1CCc2ccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21 746031296 MLEQYEFTTLPXLD-UHFFFAOYSA-N 435.572 4.433 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3c(C(F)(F)F)csc3=O)c2C)cc1 746152485 IDDKCGJWTAOHRU-UHFFFAOYSA-N 438.427 4.006 10 20 IICD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2)C1 747010128 VCOPIADEHQOKGX-LAUBAEHRSA-N 441.547 4.242 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(C)c4)cs3)cc2C[C@@H]1C 753978409 OBKMHHNTHLXUOH-ZDUSSCGKSA-N 445.541 4.356 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2c(cc1O)CCCC2 756365019 XNDCYNUGIXSFPM-GOSISDBHSA-N 428.598 4.296 10 20 IICD C[C@@H](NC1CCC2(CC1)OCCO2)c1cc(Br)cc(Br)c1O 756418839 QXTRIHLGOJTKRA-SNVBAGLBSA-N 435.156 4.254 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1cc(Cl)ccc1O)CC2 756706351 MKYSYEHOHLHURJ-HNNXBMFYSA-N 432.948 4.079 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 756723810 MAFRNGKKJNUGOB-NRRJATNASA-N 439.375 4.185 10 20 IICD O=C(O)c1cc(Br)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1 758163892 NQAGWLPAJUJRJK-UHFFFAOYSA-N 447.115 4.022 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccccc3OCC(C)C)CC2)cc(OC)c1OC 759953888 PGNAZVWVMKJOOS-UHFFFAOYSA-N 443.544 4.101 10 20 IICD COc1cccc(C[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2)c1 765245240 OPQFCAVZROYEJE-SHQCIBLASA-N 443.591 4.471 10 20 IICD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3cccc(Br)c3O)C2)c1 765764076 HENCJLDVIQZWFN-INIZCTEOSA-N 446.345 4.023 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)[C@@H](Oc1ccccc1Br)c1ccccc1 767788403 ZLVRVYMGDPOGBF-NRFANRHFSA-N 442.309 4.339 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3OCc3ccncc3)c2)CC1 767931210 OJQSXAYBWXRWQO-UHFFFAOYSA-N 430.552 4.443 10 20 IICD O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769966016 LQQLNPFGYHLIHO-MRXNPFEDSA-N 448.488 4.105 10 20 IICD CC(C)C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 776941638 XDEZRCFXIAMYOS-FUHIMQAGSA-N 425.520 4.150 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cn1 790108520 SSUAJMAQDWOZPX-LICLKQGHSA-N 449.985 4.232 10 20 IICD COc1cccc(Cl)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 790218727 DGNXHLWHDXMSOM-GASCZTMLSA-N 435.927 4.101 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc1C 795303396 FPLGGUUTIAOJHT-UHFFFAOYSA-N 430.551 4.224 10 20 IICD C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 796281815 ZDOIWYKIWWEMCM-FQEVSTJZSA-N 449.620 4.350 10 20 IICD Cc1ccc([C@@H](NCc2cc(Br)cc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 798087987 CDMCEZAEVNPVRP-KSSFIOAISA-N 426.376 4.036 10 20 IICD CN(CC(=O)N1c2ccccc2CCc2ccccc21)Cc1ccc(N2CCOCC2)cc1 799293564 MWCMKPJDPYRGGJ-UHFFFAOYSA-N 441.575 4.419 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(Br)o2)n1 799636035 DZVYTRVDUIHVHI-UHFFFAOYSA-N 429.317 4.283 10 20 IICD COc1ccc(N2CCN(c3nnc(CSc4ccc(Cl)cc4)n3C)CC2)cc1F 800748674 KYMYBGXFRKGYEF-UHFFFAOYSA-N 447.967 4.235 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](c4ccnn4C)C3)cc2Cl)C1 801062217 UZDASRUEMXIQED-MJGOQNOKSA-N 429.996 4.399 10 20 IICD COc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 803677378 NQUZSLCPEJEXRK-LJQANCHMSA-N 437.584 4.300 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccc(Cl)c1Cl 807121671 XPKMEAUOLVHAIL-AWEZNQCLSA-N 434.367 4.428 10 20 IICD Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 807513391 MXCXFZXPNZHHAP-UHFFFAOYSA-N 436.320 4.386 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1c2ccccc2CC12CCOCC2 811865130 VRXDBAIQCKCWSP-HSZRJFAPSA-N 437.609 4.133 10 20 IICD O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 812006192 RYEGSETWPRMARX-JOCHJYFZSA-N 428.577 4.020 10 20 IICD O=C1N=C(SCCn2cc([N+](=O)[O-])ccc2=O)S/C1=C/c1csc2ccccc12 814771332 PGUHOHHPKZNSPW-CXUHLZMHSA-N 443.531 4.375 10 20 IICD COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OCC(=O)NC1CC1 916407883 KGJYALFTSGSANV-UHFFFAOYSA-N 433.508 4.012 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(OCC2CCCCC2)cc1 919840000 MSXSCWZHRRKWDT-UHFFFAOYSA-N 442.581 4.133 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 921202171 SONJZVKRCOGTOL-LJQANCHMSA-N 442.991 4.097 10 20 IICD Cc1cc(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1116242651 XTXOSVYYQNJUDB-UHFFFAOYSA-N 449.935 4.188 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1F 1318690324 DYYGBFBEPAOMCH-ZDUSSCGKSA-N 428.401 4.240 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(F)cc3OC(F)F)CC2)cc1F 1319659909 GNHORMOLMUFKBO-ZDUSSCGKSA-N 441.425 4.168 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC4CCCC4)CCO3)C2)cc1 1781753399 HROXCSFPXODIMA-MHZLTWQESA-N 449.595 4.118 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1nnc2n(C)c(=O)c3ccccc3n12 216484914 WIAYKTARQLLFCP-GOSISDBHSA-N 439.519 4.050 10 20 IICD COc1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1OCC(F)(F)F 237253551 PASWLYBETUZZQV-UHFFFAOYSA-N 426.504 4.479 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1Cc1ccccc1 303084580 AUMBXVJZKBAEHV-XMMPIXPASA-N 432.568 4.127 10 20 IICD O=C(NCCCc1nc2c(s1)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 727230967 URUJZTWZTAQOCY-GOSISDBHSA-N 429.586 4.051 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2c(c1)C[C@@H](C)O2 727861693 ZXGRIKNBOVMWNL-FGHSJCFPSA-N 443.546 4.442 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(I)cc1Cl 728020049 MFQJCXBJURDSAF-UHFFFAOYSA-N 428.701 4.283 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 728983107 UQEFEUPWFBJXSD-GJZGRUSLSA-N 436.468 4.368 10 20 IICD COc1ccc(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 730066041 CDNOXFGXDVQHKR-HXUWFJFHSA-N 442.556 4.078 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 731120294 UEMKIUVQUAQPGJ-OAQYLSRUSA-N 436.600 4.320 10 20 IICD Cc1nc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2nc1C 742797836 IAZWUOQKTCZZHA-KRWDZBQOSA-N 426.467 4.247 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(Cc2ccccc2)n1 743114499 OVTKJSYNAHUPRY-UHFFFAOYSA-N 429.318 4.454 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc2c1OCO2 743282411 LXIIMGZZACARBO-KPYNCUPYSA-N 427.503 4.149 10 20 IICD C[C@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 747299041 VUFXRPLWZDZCPO-IBGZPJMESA-N 435.524 4.189 10 20 IICD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 748616335 ZKPFQFAVMOMRFL-HSZRJFAPSA-N 445.604 4.280 10 20 IICD Cc1cc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c(C)n1-c1ccccn1 748753623 SYBGNSSMNNQLHF-UHFFFAOYSA-N 425.492 4.066 10 20 IICD CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl 748983996 YOKMFIPCAJQTMU-HXUWFJFHSA-N 431.964 4.176 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 751081305 AZPADQUKKHGIMV-WNSKOXEYSA-N 429.511 4.049 10 20 IICD Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnn1-c1ccccc1Cl 754551988 NRYVYKHZGRIIMP-UHFFFAOYSA-N 442.862 4.257 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1c(F)cc(Br)cc1F 755196142 POPLGQCCTFRFLD-UHFFFAOYSA-N 427.314 4.211 10 20 IICD CC(C)C[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)C(=O)Nc1nccs1 756782059 LMMZVVJULAZAEL-YGRLFVJLSA-N 430.343 4.454 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 765840751 GXIISAOHPYGIAR-HNNXBMFYSA-N 449.364 4.044 10 20 IICD CCN(Cc1ccc(N(CC)CC)c(F)c1)Cc1nc(O)c2cc(OC)c(OC)cc2n1 768163368 NNVHETLEEJTDDP-UHFFFAOYSA-N 442.535 4.360 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC=C(c2ccccc2Cl)CC1 768702751 VUMFIMMXONGSKO-UHFFFAOYSA-N 429.923 4.315 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncoc1-c1ccc(F)cc1 769935487 UDEWBJOWMKJARJ-UHFFFAOYSA-N 431.414 4.481 10 20 IICD COc1ccc(NC(=O)c2nnc(CN(Cc3ccc(N(C)C)cc3)C(C)C)s2)cc1 771791687 QQJROUZZKXUFSF-UHFFFAOYSA-N 439.585 4.276 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCCSc1nccs1 774242299 UFOQSLCHWZTCEL-SWLSCSKDSA-N 444.420 4.463 10 20 IICD COc1ccc(OCc2nc(CNCc3cccc(Br)c3O)cs2)cc1 775152205 MQSCSGVLJXDKOD-UHFFFAOYSA-N 435.343 4.489 10 20 IICD CC[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O 775497715 CVJNRHUOCPAZOU-SFHVURJKSA-N 438.403 4.132 10 20 IICD CC[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)ccc1O 775508569 CSUNVBMYNIAOPC-NVXWUHKLSA-N 442.737 4.354 10 20 IICD CC[C@H](C)[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)Nc1cccc(N2CCCC2)c1 776164688 JPQSHOWXWYEVIB-XDHUDOTRSA-N 441.572 4.153 10 20 IICD CN(Cc1ccccc1O)C(=O)NCc1cc(Br)ccc1Br 776240830 XAWJFMHUBWBKNR-UHFFFAOYSA-N 428.124 4.259 10 20 IICD COc1cc(N[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc(OC)c1 776250890 XRIUMGQEZXUBFR-PKOBYXMFSA-N 426.561 4.117 10 20 IICD COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483220 PGDBAHMEOFZSPS-SFHVURJKSA-N 446.551 4.072 10 20 IICD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 784702978 MLOZDWCSROLZAG-UHFFFAOYSA-N 437.588 4.188 10 20 IICD C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N2CCOCC2)c(F)c1 786953240 JISVTSPXFINPBB-QFBILLFUSA-N 448.380 4.354 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 788930664 UQTJJQFCDHDSEF-UHFFFAOYSA-N 439.987 4.038 10 20 IICD CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br 790409042 LGYQPLQSALAECI-UHFFFAOYSA-N 436.711 4.016 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C 792215606 PKSRQKBJAQYGQW-QGZVFWFLSA-N 425.577 4.186 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1N1C(=O)CNC1=O 794264383 AYQWWPNYJWDXLK-UHFFFAOYSA-N 436.899 4.364 10 20 IICD C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@]2(CCO[C@H](C)C2)O1 797541185 CABUYUMNOAVSOE-NXMSCROESA-N 436.512 4.226 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC4)n2)c(F)c1 798156400 HVCHVEPQYCOOQU-UHFFFAOYSA-N 431.514 4.197 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@H](OC)C[C@@H]2C)sc(C)c1-c1ccccc1 799344810 IGFVJNAASDVMFO-YJBOKZPZSA-N 430.570 4.338 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccnc3-n3cccn3)cc2Cl)C1 799880674 RHJOCZSFDVBITA-KRWDZBQOSA-N 438.963 4.156 10 20 IICD C[C@H](Sc1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C(N)=O 800974815 RKOUJKRBNUPRPJ-CVEARBPZSA-N 446.016 4.472 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1 804069761 ZIPVSHUWADSHEA-UHFFFAOYSA-N 437.559 4.013 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)CC2)cc1 807251222 RZOOKMVTLBJQQO-UHFFFAOYSA-N 445.523 4.243 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c1C 811939084 PPCDBZNXMHIPJS-UHFFFAOYSA-N 427.451 4.398 10 20 IICD COC(=O)CN(Cc1nc2ccc(Br)cc2o1)Cc1cc(Cl)ccc1O 812829965 VRQXOTFLJMFOHU-UHFFFAOYSA-N 439.693 4.125 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H](c2ccccc2)C1 817105641 ATMFPQBNALSEBY-KRWDZBQOSA-N 442.562 4.274 10 20 IICD Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1cccc(Br)c1 831769308 LNBNQZPHDDPTJU-UHFFFAOYSA-N 440.341 4.175 10 20 IICD CC(=O)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)C1 913193366 JVVJVDSDYBWCFN-GOSISDBHSA-N 428.554 4.486 10 20 IICD C[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914110012 YBVGVVPPSQVFME-GQVHDAKQSA-N 439.400 4.051 10 20 IICD O=C(NCc1ccco1)c1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 916836391 AYVKYCOIBNTNGY-UHFFFAOYSA-N 448.523 4.398 10 20 IICD COc1ccc(N2CCCN(Cc3nnc(-c4ccc(Br)s4)o3)CC2)cc1 917089713 HCNNVQXYEFXNFH-UHFFFAOYSA-N 449.374 4.282 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1Cc1ccccc1Cl 919907154 BCCMZNHZKZSOBS-IBGZPJMESA-N 431.939 4.232 10 20 IICD CCN(CC)C(=O)c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 919913295 VBYKUIBGOOUPDE-LJQANCHMSA-N 425.529 4.087 10 20 IICD COc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1Br 1320349418 GABPRXLJPDTGMH-HNNXBMFYSA-N 435.318 4.376 10 20 IICD CC(C)=CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1799203492 ZXOZXCKNOVFGKC-MWZSMPGESA-N 449.595 4.044 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 206262540 QJMZGJJGPBLJML-LDADJPATSA-N 429.519 4.286 10 20 IICD CC(C)(CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2c(c1)OCCO2 726250101 RWRSXQIQFSPURZ-UHFFFAOYSA-N 436.508 4.446 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)c(C)n1CCc1ccccc1 727247491 ZGZFQTRGNIVPSO-UHFFFAOYSA-N 441.582 4.005 10 20 IICD COc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)c1 727489928 BJUZJPYIPIPTMC-UNOMPAQXSA-N 430.526 4.077 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727490188 GQQXMHZJCTWURK-DEDYPNTBSA-N 444.553 4.072 10 20 IICD COc1ccccc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 730064679 KFUNYYFXTAXDMM-QFIPXVFZSA-N 441.547 4.232 10 20 IICD CCN1CCN(c2ccc(CNC(=S)Nc3ccc(OC(C)C)cc3)cc2F)CC1 730157401 RXYNJWZDWZBOBG-UHFFFAOYSA-N 430.593 4.241 10 20 IICD O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OCO3)C2 731495751 KXLGHAKAZSHEPP-UHFFFAOYSA-N 435.455 4.462 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C\c1ccco1)NC(=O)c1ccccc1 732958882 NYNCJOTUDPKAPT-HKOYGPOVSA-N 429.520 4.357 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 734315919 FLXAVIZPMJRYLC-NOZRDPDXSA-N 437.584 4.110 10 20 IICD COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(Cl)c1Cl 742278054 BALSNSZMNCYVKE-UHFFFAOYSA-N 429.369 4.421 10 20 IICD COc1ccc(CC[C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 742760755 RARGJKFHXLMOJL-FHWLQOOXSA-N 443.563 4.268 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)s1 743311503 ABCQWRDHWHXHPS-GFCCVEGCSA-N 441.366 4.031 10 20 IICD O=C(NCCCc1nc2ccccc2[nH]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743519686 FTTGASFTCWLWQE-INIZCTEOSA-N 443.498 4.065 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)NC(=O)OC(C)(C)C)cc1 743725607 VPDKBQFCQREYEK-VMODYCNZSA-N 449.595 4.339 10 20 IICD CCN(CC(=O)NCc1ccccc1COC(C)C)Cc1cc(Br)ccc1O 744426687 UKMGOAQZXHWEIU-UHFFFAOYSA-N 449.389 4.218 10 20 IICD COc1ccc(C2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 745593837 YMVADCUMHZAGKG-UHFFFAOYSA-N 425.598 4.338 10 20 IICD Cc1ccccc1C1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCCC1 749499497 RMBAMHCFFMZFFT-QFIPXVFZSA-N 433.596 4.215 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])n2)cc1 751591606 ZNFVVIOXYQMQSQ-UHFFFAOYSA-N 435.531 4.078 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3c(F)ccc(F)c3C2)c([N+](=O)[O-])c1Br 753118100 JWMNURAYKVLEBY-UHFFFAOYSA-N 444.188 4.115 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 753965019 DXAYBGYNIWMTNG-UHFFFAOYSA-N 436.581 4.031 10 20 IICD COc1cc(OC)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1Br 755986947 VQKFENVLAQVJEZ-UHFFFAOYSA-N 444.347 4.405 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2F)C[C@@H](C)O1 758796111 PWPHCQBNJRQGOJ-TXEJJXNPSA-N 445.844 4.437 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)n1 760092715 OVHZZUGQSWJECP-UHFFFAOYSA-N 445.475 4.425 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(CN2CCCC2)cc1 761981853 ISGHBZVFJGENPE-QFIPXVFZSA-N 427.976 4.036 10 20 IICD CC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2O)c(C(F)(F)F)c1 765225042 AIAVVULRRFGTTK-UHFFFAOYSA-N 446.223 4.454 10 20 IICD C[C@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(N2CCOCC2)cc1 765669499 MFRYYNKFTLGETK-MHECFPHRSA-N 434.515 4.207 10 20 IICD Cc1sc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc1-c1cccc(Cl)c1 769705351 JQKNHMBDPAZFNP-UHFFFAOYSA-N 437.930 4.101 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CC1)c1ccccc1 769965895 HLIXFHBVVADOCD-UHFFFAOYSA-N 428.535 4.311 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1 772646000 DWERKNNDOPBETF-UHFFFAOYSA-N 442.479 4.477 10 20 IICD C[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc(N(C)C)cc1 773621361 XVMQAPJQXVVSCJ-QGZVFWFLSA-N 428.964 4.025 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)c1 774257567 QKNGHLZSHAWWNL-QGZVFWFLSA-N 448.658 4.139 10 20 IICD C[C@H](N[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccc(N2CCOCC2)cc1 775254177 IMVTZHSANUROED-RBUKOAKNSA-N 442.629 4.385 10 20 IICD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 775429971 LCBKVOMNUPNKRZ-LJQANCHMSA-N 433.503 4.143 10 20 IICD CC[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O 775498163 HULPQCPXEYMHEK-NHCUHLMSSA-N 432.406 4.184 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1 775728988 PHKOGBOMPYBWDL-IIBYNOLFSA-N 429.948 4.451 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC3 778629389 GPJJTLYTTBWONJ-AZUAARDMSA-N 432.568 4.231 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 778992016 PRMWKRROWMLETN-AWEZNQCLSA-N 441.366 4.150 10 20 IICD O=C(C(=O)N(Cc1ccccc1O)C1CCCCC1)N1C[C@H]2CCCN2c2ccccc21 782895584 ANRXSWLMCTZTAY-OAQYLSRUSA-N 433.552 4.069 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 798085137 JWYIDPNUWANOMV-LEWJYISDSA-N 444.373 4.282 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1O 811704040 RBJBQDRGBSYWGI-UHFFFAOYSA-N 434.392 4.045 10 20 IICD COCC1=CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)CC1 812384601 SXOCCBKLZOOBQA-JOCHJYFZSA-N 447.583 4.172 10 20 IICD CNC(=O)Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 913102792 YNZMTBIEDPSBED-JOCHJYFZSA-N 441.491 4.135 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(N3CCOC3=O)cc2)c(C)n1-c1cccc(F)c1 915509896 QWMLPKQILAPSAC-UHFFFAOYSA-N 436.439 4.230 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cn2)C[C@H](C)O1 915699368 YNJFZCZPJUBPLE-PMACEKPBSA-N 437.588 4.349 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H](C)c3cc(F)ccc3F)cc2F)C[C@@H](C)O1 917064093 IZLFMYBCQZYWJW-BBWFWOEESA-N 449.517 4.027 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1 918222818 XMXZVUJACQJIDL-KNKQGSTJSA-N 425.548 4.356 10 20 IICD CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918223729 JETOOWLIVOXOMF-UHFFFAOYSA-N 425.426 4.023 10 20 IICD O=C(Nc1ccc(F)cc1Br)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293650 BJPHDCHINKVAOX-UHFFFAOYSA-N 447.260 4.054 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 918398934 DYMSQJNKHDKJOU-UHFFFAOYSA-N 441.535 4.090 10 20 IICD O=C(COc1ccc(Cl)c2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970879 HMQINJAUGGQYSE-UHFFFAOYSA-N 442.918 4.289 10 20 IICD Fc1cc(CNCc2ccc(C(F)(F)F)cc2)ccc1N1CCN(c2ncccn2)CC1 920180771 WHKFSJUMVDSMLF-UHFFFAOYSA-N 445.464 4.251 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=CCCS2)C3)cc1 1800512449 VUBYFLXRKMCVTC-QQFNCUIESA-N 435.593 4.367 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291222 VQGCITZYCHBWFO-OAHLLOKOSA-N 446.916 4.156 10 20 IICD Cc1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)n1-c1cccc(Cl)c1 108936141 CLPNDYNVMDFWLL-HSZRJFAPSA-N 436.899 4.054 10 20 IICD Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 437023022 VNGMQTATHDRBLB-UHFFFAOYSA-N 433.537 4.110 10 20 IICD Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 475932310 JMMXNFDGYUGVSH-UHFFFAOYSA-N 432.455 4.443 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 559869790 BBNPENQRKKHATQ-UHFFFAOYSA-N 448.573 4.371 10 20 IICD C[C@H](NC(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 725864315 JQTIRLKCFAODEW-IBGZPJMESA-N 425.548 4.388 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)cc1 726612540 CETLOSTXCPAVIB-UHFFFAOYSA-N 425.426 4.321 10 20 IICD O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695771 XUILKTCAZQFTRJ-UHFFFAOYSA-N 444.482 4.205 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 726856446 HTSQEVSOZBPSAQ-QGZVFWFLSA-N 441.597 4.230 10 20 IICD CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 727799251 NUWZODNEJJQWPW-INIZCTEOSA-N 428.444 4.121 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H]3CCc4c(Br)cccc43)CC2)cc1 727946404 YITLSJKCABQMMD-NRFANRHFSA-N 444.373 4.367 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 728596343 CPHGNBPMSSOIQZ-LJQANCHMSA-N 443.389 4.127 10 20 IICD CN(C)c1ccc(CN(Cn2nc(-c3ccncc3)n(C)c2=S)CC(F)(F)F)cc1 728904184 JHEUXNPLBGKJJK-UHFFFAOYSA-N 436.507 4.101 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 730906559 CWLWEBRUIDXANW-AREMUKBSSA-N 445.563 4.485 10 20 IICD COc1ccc(N2CCC(NC(=O)NCC3(c4cccc(OC)c4)CCCC3)CC2)cc1 731120603 FQICDRMYBXJXBQ-UHFFFAOYSA-N 437.584 4.484 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(SC(F)F)c2)cc1F 731408757 FFOFBKUVNSQBQK-UHFFFAOYSA-N 425.476 4.242 10 20 IICD COc1ccc(NC(=O)c2nnc(CN(Cc3ccccc3O)C3CCCC3)s2)cc1 731847764 NQBKECQMEVTGDJ-UHFFFAOYSA-N 438.553 4.449 10 20 IICD O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCc1ccc(N2CCCC2)cc1 731868861 AFLQPTZXIHFBER-HHHXNRCGSA-N 449.414 4.254 10 20 IICD Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 734354730 PAWLGOSAZMLQTQ-UHFFFAOYSA-N 449.599 4.118 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1ccc(Cl)cc1)CC1CC1 735093651 KTHFGQFNLQKREA-UHFFFAOYSA-N 445.966 4.480 10 20 IICD CC(C)c1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C(C)C)c1 738895091 HEBCOTJPBNFVJI-UHFFFAOYSA-N 443.613 4.490 10 20 IICD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1F 740800861 QIJQDJFUCOJCNJ-UHFFFAOYSA-N 447.576 4.489 10 20 IICD COc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1NS(C)(=O)=O 747545258 AQBRNCHXCDKXLE-UHFFFAOYSA-N 447.557 4.139 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1nnc2n(C)c(=O)c3sccc3n12 750615562 LCYJYIWOVCFISP-MRXNPFEDSA-N 445.548 4.112 10 20 IICD C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751425544 JFGOQABTTASLJY-QAPCUYQASA-N 442.562 4.273 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 753856318 FBBIANWZVSHRRF-AWEZNQCLSA-N 441.425 4.121 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1ccccc1C(F)(F)F 755085183 RFKSJSUWAQJRJC-UHFFFAOYSA-N 433.474 4.084 10 20 IICD COC(=O)CCCc1csc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 755785702 DHASLWSXNXZGIP-UHFFFAOYSA-N 427.526 4.307 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 756075783 IXCKYWGEZQDRFL-UHFFFAOYSA-N 432.362 4.119 10 20 IICD COc1cc(N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc(OC)c1OC 759222174 HYRURCOOBQGPOQ-UHFFFAOYSA-N 438.549 4.403 10 20 IICD COc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)sc1Br 759674012 HTGPDGOGJWMKHG-CYBMUJFWSA-N 426.332 4.046 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1F 762657652 NPSTUHAVEBDNMH-HRAATJIYSA-N 436.934 4.176 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C1CC1 763119699 UCDZIOKTZHFKET-GOSISDBHSA-N 437.588 4.319 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cc(N2CCCC2=O)ccc1Cl 765229450 VSOQWFLEYXLTNZ-UHFFFAOYSA-N 438.709 4.257 10 20 IICD CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(Cl)cc(Cl)c2O)C(C)C)cc1 769353940 WRGSJQUATZWWFB-SFHVURJKSA-N 441.355 4.308 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C[C@H]3C)ccc21 772191609 PNAQQJHAVDEULT-UZLBHIALSA-N 443.588 4.422 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1)c1ccc(N(C)C)cc1 773854883 CTZZQOYRJKNSHO-KRWDZBQOSA-N 434.565 4.256 10 20 IICD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 779475770 QWUSXBOCIMUXFZ-XTGFCRJSSA-N 437.517 4.364 10 20 IICD Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4ccc(O)c(O)c4)cc3)o2)cc1 782198356 CLZWCOQFERBPMY-UHFFFAOYSA-N 430.416 4.163 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1 784105655 GMUFJCQNFBZLMH-UHFFFAOYSA-N 437.931 4.270 10 20 IICD CC(=O)c1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1C 789960810 FYIUDZHHBWIFMK-JOCHJYFZSA-N 439.556 4.259 10 20 IICD C[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cc2c(cc1O)CCCC2 793561355 DXIMMWFPTXPOQL-QMTYFTJSSA-N 433.552 4.347 10 20 IICD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)c1occ2c1CCOC2 796800309 WWUOWEQNPALJFL-UHFFFAOYSA-N 433.372 4.253 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cscc1Br 802782206 PEHGGVULMZQIJC-ZDUSSCGKSA-N 429.767 4.264 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccc(F)cc1F 808894409 BGYJFFIOMXMUCA-SFHVURJKSA-N 442.466 4.378 10 20 IICD CN(C)c1cc(Cl)cc(Cl)c1CNCc1ccc(N2CCC(O)CC2)c(F)c1 810133041 ADWRCTRYBZGPCK-UHFFFAOYSA-N 426.363 4.449 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C(N)=O 914790740 VHZYMXPQHLJGOH-UHFFFAOYSA-N 442.349 4.325 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccn(-c2ccccc2)n1 916631250 GICHNSANSBTWQI-UHFFFAOYSA-N 445.445 4.049 10 20 IICD CC(C)n1ncc2c(C(=O)NCc3ccc(N4CCSCC4)cc3)cc(C3CC3)nc21 917383795 NBJZEFKGSVSTCC-UHFFFAOYSA-N 435.597 4.373 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)nc3O)cc2F)C[C@H](C)O1 917715824 WSHUXFMRTMJXSY-IRXDYDNUSA-N 435.499 4.137 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(OC)c3ncccc23)n1 917893463 TYLOBTOCEIZUKN-UHFFFAOYSA-N 427.507 4.176 10 20 IICD Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 918457662 MLBVLKAJBSZVAQ-UHFFFAOYSA-N 439.479 4.246 10 20 IICD O=C1C[C@H](c2ccccc2)N(Cc2c(O)ccc3cc(Br)ccc23)CCN1 921031077 XQRAQLCROQKZPY-HXUWFJFHSA-N 425.326 4.371 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1)c1cc(O)nc(O)c1 1788426925 FPRIYXFDLSPSOK-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Fc1cc(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)ccc1N1CCOCC1 301366095 NRRHSTQUZMLIHV-UHFFFAOYSA-N 433.409 4.145 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)cc2)CC1 303360294 HDEGFLLHDOKBAI-UHFFFAOYSA-N 449.599 4.419 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 303715523 QSDZWBKPWNHUEJ-SANMLTNESA-N 430.548 4.332 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(CCc4ccccc4)CC3)ccc21 482748591 CZKBPUOBNDZMET-UHFFFAOYSA-N 433.596 4.341 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)cc3)SC2=S)cc1 726627915 SIEYBHGWQQXZFQ-DHDCSXOGSA-N 438.452 4.132 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 727091128 GRYHIFQBKYWZLG-KRWDZBQOSA-N 447.501 4.001 10 20 IICD CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 727244778 GCBSRCSVGPMCQG-UHFFFAOYSA-N 447.494 4.004 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2)C1 727788846 RYTURRVWMCAGEX-NZSAHSFTSA-N 446.378 4.115 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1O 728197117 RGTIGPFDLKZFAL-JOCHJYFZSA-N 425.431 4.181 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4C(=O)CCCC4=O)cc3)ccc21 728464985 FKJUHDUOTYGZRI-UHFFFAOYSA-N 433.508 4.200 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c(OCC(F)(F)F)c1 729039369 NRYYPVWYASDMTB-LLVKDONJSA-N 442.390 4.011 10 20 IICD COc1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC(F)F)c1 734158284 VXAZBEGIRYACDW-QGZVFWFLSA-N 426.891 4.410 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 736536227 CIFJSPVEHCFVSR-UHFFFAOYSA-N 439.368 4.246 10 20 IICD Cc1cc(C(=O)NCCCOC[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cc1 740843824 XZZUQIXOOJAABF-KRWDZBQOSA-N 435.362 4.030 10 20 IICD COc1ccc(Oc2cc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)ccn2)cc1 741078083 SSCGCBSLHSSZSQ-UHFFFAOYSA-N 430.508 4.258 10 20 IICD CC[C@@](C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc(C)cs1 741615553 LTCRMKLTBUPVOQ-HSZRJFAPSA-N 449.488 4.190 10 20 IICD COCCCOC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 742151780 CSHKQHVGHIRSFX-UHFFFAOYSA-N 437.536 4.492 10 20 IICD CN(C)[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1 742798741 PYPQZAHZNQZDRW-FXAWDEMLSA-N 437.918 4.329 10 20 IICD O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743084907 RDHGXEXACWABAX-QGZVFWFLSA-N 427.455 4.264 10 20 IICD CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743095011 UNUXQWPXHLABJU-SFHVURJKSA-N 446.498 4.218 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@]12CCc1ccccc12 743312288 OEBPCBRJICXTQK-GGAORHGYSA-N 430.470 4.062 10 20 IICD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 743958458 YBKZSNHPHOCWCE-UHFFFAOYSA-N 426.582 4.476 10 20 IICD COc1ccc(Br)c(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1 747699201 QUYLNAIXNQBHLQ-YBEGLDIGSA-N 435.368 4.297 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 747858320 SNEINNUSJUOXPL-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1F 749338997 ZULOIQUEDAUCOM-UHFFFAOYSA-N 446.526 4.345 10 20 IICD COc1ccccc1NC(=O)CN1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 749798323 PIRMVWJOAWJXOL-UHFFFAOYSA-N 445.519 4.057 10 20 IICD COc1ccc(Br)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 750311001 MHEONAGLCRWTSD-CQSZACIVSA-N 434.334 4.177 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c[nH]1 753139334 SMWDIHGPSNUHFC-QPEQYQDCSA-N 428.413 4.106 10 20 IICD C[C@H](NCCC(=O)N1CCCCCC1)c1cc(Br)cc(Br)c1O 756507121 BOEZGAIIQGDTSZ-LBPRGKRZSA-N 448.199 4.361 10 20 IICD COc1cc(CN2CC[C@H](N[C@H](C)c3ccc(Br)cc3O)C2)cc(OC)c1 756644153 DEXRXLCXRUIPNR-PBHICJAKSA-N 435.362 4.097 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)Nc1nccn(C)c1=O 757905309 FWGNGNUQCALFDL-QGZVFWFLSA-N 445.445 4.097 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC[C@H]1CCCCO1 760722741 RUNQEYHTLAKWDD-PWVLXBNSSA-N 438.640 4.195 10 20 IICD Cc1cc(F)ccc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 761968792 PFRDVYVUWVFOBQ-UHFFFAOYSA-N 431.470 4.419 10 20 IICD O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NCc1ccccc1O 764251698 XLUXZJZWZAADQK-UHFFFAOYSA-N 445.338 4.327 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccccc1OC[C@H]1CCCCO1 765260138 RPLSWRUHKKNWRV-OAHLLOKOSA-N 435.318 4.424 10 20 IICD Fc1cc(CN[C@H]2CCSc3ccccc32)ccc1N1CCN(c2ncccn2)CC1 765282648 WTIUKYGJUVRRNL-NRFANRHFSA-N 435.572 4.269 10 20 IICD CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 765288176 VLOMGJJEHXXKCR-QGZVFWFLSA-N 428.552 4.168 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)nn1 765295664 UNQOIGFKHCLTDU-UHFFFAOYSA-N 429.274 4.367 10 20 IICD C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C)c1ccc(N2CCOCC2)cc1 765329300 IOLLRAJAQAOMEW-DLBZAZTESA-N 446.389 4.354 10 20 IICD O=S(=O)(Cc1cc(Cl)ccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 769900794 JIIAAYRWQNUCTK-UHFFFAOYSA-N 448.894 4.169 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1)c1ccc(N(C)C)cc1 773847115 OMWBCQVDUIBCSM-SFHVURJKSA-N 447.583 4.343 10 20 IICD CCC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 775195581 RDGSBCUKILFMKA-NRFANRHFSA-N 445.510 4.031 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)CC2)cc1 775695130 GFRMMKWQZQLFQE-UHFFFAOYSA-N 442.409 4.297 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](CCc3ccccc3)C(F)(F)F)CC2)cc1 778774234 FCVFPWUZNPFOQH-NRFANRHFSA-N 435.490 4.481 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1 779460937 YBRFCXCSFXKZAI-UHFFFAOYSA-N 428.334 4.082 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 782105944 XTSMAYUSZWQVAP-UHFFFAOYSA-N 442.972 4.050 10 20 IICD Cn1nc(C(F)(F)F)c(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl 782154203 HLDGFVPIUAXWRV-UHFFFAOYSA-N 438.828 4.452 10 20 IICD CN(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1Cl 782895568 GJVVJOYIABTRKC-UHFFFAOYSA-N 429.948 4.412 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(F)cccc1Br 783315396 BNKQCJMBDDMMQP-UHFFFAOYSA-N 436.325 4.030 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(C)c1 783487046 SZFXPAWZOCIFHQ-IBGZPJMESA-N 447.535 4.335 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 787918108 CWYGCYHNTHICGX-UHFFFAOYSA-N 436.537 4.167 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccc(C)cc3)c3ccccn3)CC2)cc1 792067608 WJIVLANQMHUGLG-RUZDIDTESA-N 430.552 4.456 10 20 IICD COc1cc(N2CCN(C(=O)C[C@H]3C[C@H](C)c4c(C)cccc43)CC2)cc(OC)c1OC 792607825 BVDHLRNKGSRCID-RBUKOAKNSA-N 438.568 4.351 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3OC)sc2C)cc1 795611790 UEDREJUSQHIGBE-UHFFFAOYSA-N 449.510 4.235 10 20 IICD Cc1cc(C(=O)CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c(C)n1-c1ccc(OC(F)F)cc1 796456955 AWUKCJMVDJWRHZ-YOFSQIOKSA-N 431.527 4.435 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@H](c2ccccn2)C1 798716399 QUIZEGIOWWHWJH-VUODPORTSA-N 443.619 4.141 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 802610451 AGFVIOIUNCJHLO-UHFFFAOYSA-N 440.931 4.058 10 20 IICD O=C(Nc1ccccc1)c1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 802839899 PWEBHIAJJZOEKB-HSZRJFAPSA-N 430.504 4.466 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 808528303 WXQJNNOCOGCPBT-UHFFFAOYSA-N 433.530 4.150 10 20 IICD COCC[C@@H]1COCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 812300410 WWTXFKXGOPWHCK-MRXNPFEDSA-N 443.927 4.365 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1F 813585435 JSCXZWMOERYTML-UHFFFAOYSA-N 439.453 4.416 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 813802959 WQOSHXAGJXMIHZ-FQEVSTJZSA-N 430.593 4.074 10 20 IICD C[C@@H](CCc1ccco1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914439629 JXRXWCLRHPBZBS-ZSRMJVKVSA-N 434.608 4.460 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1C 915220262 NVYMVCZCEQJBCB-UHFFFAOYSA-N 432.523 4.008 10 20 IICD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)n2)o1 915670841 CMROMJNTKANCGW-UHFFFAOYSA-N 435.509 4.094 10 20 IICD O=C(NCCOc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916650664 GNTKGUQYZIYUBE-IBGZPJMESA-N 438.446 4.181 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2F)C[C@@H](C)O1 916682658 XVZIKPIRFLIVGX-HUUCEWRRSA-N 429.492 4.268 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1 917643014 ATHFLNUWCMQEJD-XDHOZWIPSA-N 428.535 4.076 10 20 IICD COc1ccc([C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N2CCCCC2)cc1 918178344 CCTGFSUSMUHSSQ-VWLOTQADSA-N 436.600 4.322 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C2CC2)cc1 918202392 ZPUYNGAVVHTUKB-HOZJOUCCSA-N 441.547 4.398 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 918224251 PLJNZJVBCJQYDW-UHFFFAOYSA-N 442.922 4.065 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1cccc(Br)c1)C1CC1 919791652 BCVUILCMYZIKHO-UHFFFAOYSA-N 444.373 4.160 10 20 IICD CCOCc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 1318763773 CYUPNDZPKZOMBG-UHFFFAOYSA-N 437.462 4.400 10 20 IICD COc1ccc(Br)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1319762393 HIGYFYIXRBABJQ-INIZCTEOSA-N 435.318 4.376 10 20 IICD Cc1cccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1792081503 WCMCATROLAOXOP-UHFFFAOYSA-N 435.455 4.002 10 20 IICD Cc1cc(C(=O)OCC[C@@H]2CCCCN2C(=O)c2cccn2C)c(C)n1-c1ccccn1 729200985 SLWXSNPYEPBFHY-FQEVSTJZSA-N 434.540 4.069 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 740812995 MSTSPUQJFVUFJZ-UHFFFAOYSA-N 437.370 4.336 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 742387427 AKTUZYIILGRSOG-XMMPIXPASA-N 426.557 4.483 10 20 IICD CS(=O)(=O)c1cccc([C@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2F)c1 742393156 VPJXVGAAXJAWCD-QHCPKHFHSA-N 429.488 4.182 10 20 IICD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N(Cc1ccco1)Cc1ccccc1O 743429766 YHMNXFITDKIWOI-UHFFFAOYSA-N 436.552 4.237 10 20 IICD CCN(CC(=O)Nc1ccccc1OC(F)F)Cc1cc(Br)ccc1O 743871093 QAOPKCGVIOEEGP-UHFFFAOYSA-N 429.261 4.217 10 20 IICD COCCCOc1cccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1 746361771 HFLJDBJQKOAHQX-MOSHPQCFSA-N 442.562 4.466 10 20 IICD CC(=O)N1CC[C@H](CN(C)CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1 755045688 MPNWATFGJAMSNH-QGZVFWFLSA-N 436.383 4.384 10 20 IICD C[C@H]1CN(C(=O)c2ccc(CN[C@@H](C)c3ccc(Br)cc3O)cc2)C[C@@H](C)O1 756480350 VGEARRCTFVHPKK-XHSDSOJGSA-N 447.373 4.255 10 20 IICD COc1cc(OC)c(CCN[C@@H](C)c2cc(Br)cc(F)c2O)c(OC)c1 756549547 GPPZPRICKXGJNL-NSHDSACASA-N 428.298 4.213 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc(OC)c1OC 759928121 MHUBJMWHQPFWRT-UHFFFAOYSA-N 440.327 4.373 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC)c(OC(C)C)c3)cc2F)CC1 760967505 QSVNOHRFTJNVNB-UHFFFAOYSA-N 444.551 4.085 10 20 IICD Cc1cccc([C@@H]2NC(=O)N(C3CCN(c4ccc(OC(F)F)cc4)CC3)C2=O)c1C 761160810 RUQOXSSREBIYIK-FQEVSTJZSA-N 429.467 4.167 10 20 IICD CC(C)(C)[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 763574885 LHTZDTDOBOAYQL-FCEWJHQRSA-N 425.520 4.150 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(N2CCOCC2)cc1 765327696 BIFPMHCHNTWRNR-OALUTQOASA-N 429.992 4.425 10 20 IICD CN(CCN(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)OC(C)(C)C 768978525 MSGRZLCRVGNKQT-UHFFFAOYSA-N 439.516 4.366 10 20 IICD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(Br)ccc2O)CC1 769161855 SITDLQIZGQJJOT-ZDUSSCGKSA-N 449.374 4.145 10 20 IICD Cc1cc(C)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Br 777002794 VJNOZAAGHUPPED-UHFFFAOYSA-N 436.325 4.363 10 20 IICD CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(OCc2ccccc2)cc1 781960424 IZBULISIXXRYAQ-UHFFFAOYSA-N 429.520 4.233 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1 782424905 GVXPASXJHWGECB-UHFFFAOYSA-N 447.535 4.302 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C2CCCC2)nn1C)c1ccc(N)cc1 783487127 UTPCUVALZZGLFE-KRWDZBQOSA-N 431.540 4.393 10 20 IICD CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCCc1ccc(O)c(O)c1 793683687 XCVWDBAABCRLEK-UHFFFAOYSA-N 431.286 4.050 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CC2)cc1 795074036 IDSNRJACCGHTLF-LEWJYISDSA-N 434.458 4.483 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cc2F)C[C@H](C)O1 798057362 NDLLQRHMJUMIIS-UGJIMAENSA-N 429.511 4.324 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)ccc1N1CCNC1=O 800049749 VBCHLNMZIKOWOF-INIZCTEOSA-N 440.975 4.344 10 20 IICD Cc1nn(-c2ccccn2)c(C)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 801723815 AOFRWDDGLZYOAZ-GOSISDBHSA-N 427.499 4.244 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 804684183 RQGKCWYWHCGOIE-FQEVSTJZSA-N 445.357 4.161 10 20 IICD Cc1cccc2c(CCNC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c[nH]c12 805663357 WKORKRTWUGUXGP-UHFFFAOYSA-N 433.552 4.202 10 20 IICD Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C 806440502 XKEVCKIFCXICCQ-AUSIDOKSSA-N 426.630 4.039 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 807180768 MGPUUNQEGCSIJG-ILBGXUMGSA-N 433.596 4.163 10 20 IICD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(OCc3ccccc3)cc2O)s1 809720724 GOHLLSAWBVZZQC-HOTGVXAUSA-N 440.569 4.138 10 20 IICD CN(Cc1ccccc1O)c1nnc([C@H]2Cc3ccccc3CN2Cc2ccccc2)n1C 809864091 YUTZNTKDIPQVSW-XMMPIXPASA-N 439.563 4.457 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C 915219956 WJWOLMBHZVUTAH-UHFFFAOYSA-N 443.550 4.203 10 20 IICD O=C(NCc1cccc(OCc2ccccn2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916387163 DXWHYHLPCXZHGW-DEOSSOPVSA-N 447.535 4.257 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 916456578 LFIFTTUKGMVLOH-UHFFFAOYSA-N 443.809 4.034 10 20 IICD Cc1cccc(OCCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918202866 OXQQSZWEBSVWLB-RTBURBONSA-N 429.536 4.016 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)c2C)c1 918661720 KTMSKGPZRIYAJQ-GOSISDBHSA-N 439.581 4.144 10 20 IICD Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C(C)C 919969184 HFFUDHIUWDKABN-GOSISDBHSA-N 428.548 4.302 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1319832390 MGWCJBJUUSXGLQ-UHFFFAOYSA-N 431.458 4.325 10 20 IICD CCCCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc2c1=O 18271133 QSVBWTIPIXQXID-UHFFFAOYSA-N 438.597 4.013 10 20 IICD CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 19052543 WJEDJAYMJSKNSS-UHFFFAOYSA-N 447.535 4.372 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 19355582 IERAZYNBVJSAGT-UHFFFAOYSA-N 441.528 4.139 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1C 111094920 TVRCSOLKEMCUQV-UHFFFAOYSA-N 431.580 4.289 10 20 IICD COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 226942903 LTJPWLYXVNKLIY-BBWFWOEESA-N 432.561 4.245 10 20 IICD OC1CCN(c2ccc(CNc3cc(C(F)(F)F)nc(-c4ccncc4)n3)cc2F)CC1 301342461 GDXFVRUDHRWDSH-UHFFFAOYSA-N 447.436 4.270 10 20 IICD O=C(c1ccc(F)cc1F)N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 303115195 DAESBDVCEGBGQA-UHFFFAOYSA-N 426.463 4.253 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H](C)c4cccc(OC)c4)CC3)ccc21 505547465 QQNMEDXUOUQMRD-NRFANRHFSA-N 449.595 4.432 10 20 IICD Cc1c(CNC(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)n(C)c2ccccc12 553797780 OSSQCIYVFFHNDM-HZPDHXFCSA-N 439.478 4.148 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccc(-n4nc(C)cc4C)cc3)CC2)cc1 726610514 GWILJHYQFXQCNL-UHFFFAOYSA-N 447.583 4.008 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 729280397 SWPCWFMRAMCNFM-WZONZLPQSA-N 448.519 4.116 10 20 IICD CCN1CCN(c2ccc(CNC(=O)CCCOc3ccccc3Cl)cc2F)CC1 730192530 FAURVLWZXFXRDY-UHFFFAOYSA-N 433.955 4.096 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)c4cccnc34)cc2F)CC1 730193383 IIKYBDXSJUIFOZ-UHFFFAOYSA-N 426.923 4.099 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 731280400 SVFUFSAQEIWEHD-NRFANRHFSA-N 431.964 4.041 10 20 IICD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1 731298777 NJHZCYQRXYHNQJ-UHFFFAOYSA-N 446.329 4.343 10 20 IICD Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 732201079 IOVUJPJTBRFKDG-UHFFFAOYSA-N 432.895 4.013 10 20 IICD Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1-c1ccc(Cl)cc1 735520178 XMMDORSKBZMWRO-HXUWFJFHSA-N 425.916 4.361 10 20 IICD Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(=O)NC(C)(C)C 740817854 BERJHXRSLZPWDO-SFHVURJKSA-N 438.572 4.243 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cncc3ccccc23)NC(=O)OC(C)(C)C)cc1 742750789 PRPYRNYRTMOWKJ-JOCHJYFZSA-N 434.540 4.297 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CNc2cccc(Cl)c2)NC(=O)OC(C)(C)C)cc1 742753840 LVHSYBDBRPZUQL-FQEVSTJZSA-N 446.979 4.200 10 20 IICD O=C(Cc1ccccc1Br)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798691 BXBCOADLKCHMJP-HNNXBMFYSA-N 439.300 4.378 10 20 IICD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(N(CC)CC)cc1 743242939 QLKRZQUXLFWQEW-UHFFFAOYSA-N 439.604 4.005 10 20 IICD CCn1c(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccc21 743505778 HPOUNBLHVIWXEV-INIZCTEOSA-N 443.498 4.126 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 743551343 BELIOILDFQZMGO-CTNGQTDRSA-N 430.593 4.170 10 20 IICD COCCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 744417089 NIQGSHAHZRGZPL-GOSISDBHSA-N 449.389 4.024 10 20 IICD CC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1c1ccccc1 746416132 UEGWKELASBCHEC-UNMCSNQZSA-N 425.548 4.388 10 20 IICD O=C(CCOc1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 749407697 XHGPLTRXRWGAKD-UHFFFAOYSA-N 441.330 4.179 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC[C@H](Oc4ccccc4Cl)C3)CC2)cc1 752665929 YCIKAHJKCWFORY-FQEVSTJZSA-N 429.948 4.180 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)ccc21 754549396 CEYRMEOWUCDVAL-DEOSSOPVSA-N 438.483 4.154 10 20 IICD Cc1onc(-c2ccncc2)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765383417 DJFZDKNKWGQPHK-UHFFFAOYSA-N 428.439 4.045 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCOC2(CCCCC2)C1 769126495 NGEOODGPNPQZGP-ROUUACIJSA-N 437.531 4.438 10 20 IICD CN1CCN(c2ccc(CNCc3cccc(NC(=O)c4ccc(F)cc4)c3)cc2)CC1 771825159 XGNMBSVXZNCTNL-UHFFFAOYSA-N 432.543 4.120 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC 772797022 AYUPYWDLQOGLDD-ZDUSSCGKSA-N 437.334 4.021 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Br 772994873 BYUGJZGTADRDSE-UHFFFAOYSA-N 446.389 4.063 10 20 IICD Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 774362725 FNBLGISAHRKVAT-UHFFFAOYSA-N 440.883 4.149 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 774735576 SYYMFLHYXGBMBL-UHFFFAOYSA-N 429.564 4.049 10 20 IICD CC[C@H](N[C@H](CC)CS(=O)(=O)c1ccccc1)c1cc(Br)ccc1O 775523572 LFNXTLHNNCVFFZ-QAPCUYQASA-N 426.376 4.448 10 20 IICD Cc1cc(Br)cc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1O 776058284 JCNODPKYOZIGFD-IYBDPMFKSA-N 447.373 4.002 10 20 IICD CCCc1nc(C)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 777039550 DMLMYFYWKVWNTF-UHFFFAOYSA-N 435.461 4.340 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 779510607 LAZBWXLLRMDZIJ-IGKXFLDPSA-N 425.872 4.221 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 780682867 YJXHPGVRNVOQTP-FQEVSTJZSA-N 432.609 4.462 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c2)CC1 781272366 CZNXUOKVLYAEGI-UHFFFAOYSA-N 425.838 4.280 10 20 IICD Cc1ccnc(-c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)n1 782896281 QDUGYFMCTBGNAE-UHFFFAOYSA-N 444.535 4.458 10 20 IICD CCc1cnc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 784197193 TYNLNOWVYRZJAC-ZROIWOOFSA-N 438.621 4.492 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2ccc(Br)cc2OC)c1 784532300 AQZJXVKFIXWGSW-CYBMUJFWSA-N 437.334 4.165 10 20 IICD COc1cc(Br)cc(CNCCCc2nc(-c3ccc(F)cc3)no2)c1O 784622250 WXGZILHUODNDAN-UHFFFAOYSA-N 436.281 4.075 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccnc(O[C@H](C)CC)c1 791245730 FRUCIHCQAHCDKR-QGZVFWFLSA-N 427.545 4.261 10 20 IICD COc1ccc(Cl)cc1NC(=S)NNc1ccc([N+](=O)[O-])cc1Br 792684171 YGEAWJQZFTVTMN-UHFFFAOYSA-N 431.699 4.333 10 20 IICD CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(OC)cc1O 794381268 KHVDZSRTBNCEBW-UHFFFAOYSA-N 431.286 4.311 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)c1 794870838 ZDRJDOJAXLBNCT-GZTJUZNOSA-N 425.466 4.115 10 20 IICD Cc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)NC(N)=O 800048817 IOSGKFGNPNZBIC-IERDGZPVSA-N 442.991 4.301 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cc1 814288406 ATXMDTWJGAYPPP-AYPRBGQRSA-N 427.547 4.429 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1 914851138 XRMANCDOSCDHPB-UHFFFAOYSA-N 432.523 4.186 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N4CCCCC4)nc3)cc2F)C[C@H](C)O1 916681907 MHHISVKXXAMTCD-ROUUACIJSA-N 441.551 4.146 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2F)C[C@@H](C)O1 917087297 WZPVIXRIPINAJY-IAGOWNOFSA-N 432.503 4.180 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cc2F)C[C@@H](C)O1 917708358 AMUYEMPLDXLCPY-HUUCEWRRSA-N 445.585 4.483 10 20 IICD O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1 917708701 NWXRIYNFGVSPNV-UHFFFAOYSA-N 427.303 4.054 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3sc4ccccc4c3Cl)cc2)C1 917833942 VWUSVZMIKJRPRX-OAHLLOKOSA-N 427.957 4.186 10 20 IICD C[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4C[C@H](C)OC(C)(C)C4)c23)CC(C)(C)O1 920863824 DSANHLZYCRVEQD-ROUUACIJSA-N 442.600 4.250 10 20 IICD CCCN(CCC)C(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 1320870222 YOACURSJCVSFBZ-UHFFFAOYSA-N 426.580 4.452 10 20 IICD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)ccc1F 1788427783 QNSRQLZWPZFQQM-UHFFFAOYSA-N 435.455 4.002 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cc3sccc3s2)C1 1844033769 XUXVQLZUBNSDOC-UHFFFAOYSA-N 448.953 4.158 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)cc1F 303317197 HBNAXHYMLVWBOG-IBGZPJMESA-N 428.552 4.006 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 726566475 ZNOVAYGZDCUVAE-HXUWFJFHSA-N 443.538 4.285 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCCO4)SC2=S)cn1 726985969 HZNOKTSRTDXLGD-OQLLNIDSSA-N 434.926 4.311 10 20 IICD CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccc(OC)c(OC)c1 728289505 ZVACTVOCMOSSFH-UHFFFAOYSA-N 432.567 4.257 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1 728836902 IMSJOAVBKWOOKF-UHFFFAOYSA-N 441.885 4.001 10 20 IICD CC(C)COc1ccc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 730123106 FFTCHNMONHVOEE-HXUWFJFHSA-N 425.573 4.161 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4F)n3)ccc2N1 731059128 VMAPEXGKXKOAOA-UHFFFAOYSA-N 437.905 4.288 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)ccc21 731758486 GDGLVNPXUWVFPP-XMMPIXPASA-N 442.563 4.118 10 20 IICD Cc1cc(C(=O)Cn2ccc3ccn(C)c3c2=O)c(C)n1-c1ccc(OC(F)F)cc1 732195610 KCZNHZQUTVERHS-UHFFFAOYSA-N 425.435 4.232 10 20 IICD C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccc(N2CCSCC2)cc1 732758533 PTHPVEFQGRYOGH-OAHLLOKOSA-N 435.387 4.086 10 20 IICD COc1ccc(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 743016195 UEDOJXQTINNNRD-AWEZNQCLSA-N 425.476 4.391 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)nn1 743191380 GUAMEOHDQNUZAA-UHFFFAOYSA-N 433.512 4.078 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3cc(Cl)ccc3Br)SC2=S)CC1 743281942 HSKQHCIEKXXBJB-NTEUORMPSA-N 431.808 4.398 10 20 IICD Cc1cc(C(=O)NC(C)(C)COc2ncccc2Br)c(C)n1-c1ccccn1 746236751 LMSRWDRDKFATEE-UHFFFAOYSA-N 443.345 4.234 10 20 IICD CC(C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 746991042 ZDUSIKJBCDJDIE-UHFFFAOYSA-N 425.598 4.083 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 749730717 SVRBYOHESLWBCZ-UHFFFAOYSA-N 448.957 4.221 10 20 IICD C[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(N2CCOCC2)cc1 749788283 FQPNKSQXNOCRDT-LBPRGKRZSA-N 425.273 4.055 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Br)cc1[N+](=O)[O-] 751299262 LGZRPYHTVSCQPA-UHFFFAOYSA-N 438.241 4.319 10 20 IICD CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 754552637 PONUPDXQWCZHMZ-UHFFFAOYSA-N 447.516 4.084 10 20 IICD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NCc1cccc(Br)c1O 765735253 FTQOZVDEAIVYJZ-UHFFFAOYSA-N 444.281 4.378 10 20 IICD CN(C)CCCC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 766804662 LVFZHPZJCJNWBG-IBGZPJMESA-N 438.563 4.020 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2C[C@@H](C)N(C)C[C@@H]2C)sc(C)c1-c1ccccc1 768762991 FYCFGGQWYGJGAD-SJORKVTESA-N 443.613 4.253 10 20 IICD Cc1cc(C(=O)N2CCOC3(CCOCC3)CC2)c(C)n1-c1ccccc1Br 769643458 MOKKASKGIVYOAX-UHFFFAOYSA-N 447.373 4.268 10 20 IICD C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c2ccccc21 769709644 PKYZWQLBBNBDTQ-CQSZACIVSA-N 428.535 4.409 10 20 IICD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 775411966 SNWUSHHMRJUSDQ-INIZCTEOSA-N 443.975 4.144 10 20 IICD CC[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cc(Br)ccc1O 775508322 BKWZJKIWKHUVHZ-HKUYNNGSSA-N 430.346 4.034 10 20 IICD CC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Br)ccc1O 775525596 XMVDDQFJXUSPNA-MOPGFXCFSA-N 433.346 4.005 10 20 IICD CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 779529090 LKIADFOOHORBTG-HSZRJFAPSA-N 425.548 4.397 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)CC1 781045108 DVSOESMJKOFOQK-UHFFFAOYSA-N 425.838 4.280 10 20 IICD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782896424 NOIUUQLCLRVAMD-UHFFFAOYSA-N 437.540 4.349 10 20 IICD C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 785979597 QFZDDOUMNWULAZ-KRWDZBQOSA-N 435.490 4.487 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(-c4ccc(C)cc4C)s3)cc2)CC1 786257142 XVVILVQITPTFMO-UHFFFAOYSA-N 448.592 4.025 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 787466519 VLXQPKSXAAWGLV-MRXNPFEDSA-N 433.936 4.116 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 788875206 PTKULDCPXMJAQU-UHFFFAOYSA-N 448.592 4.169 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1Cl 792483657 DOSYVWAWBHEXFS-UHFFFAOYSA-N 439.947 4.246 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NC(=S)NCCCCC(F)(F)F)C2)cc1 794983814 RICFAEYAZXPEQZ-ZDUSSCGKSA-N 425.467 4.454 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 795775820 XYYPFTFVWVNBKP-UHFFFAOYSA-N 445.368 4.057 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)cc1C 796718481 HOQFWVMEGMGDQQ-UHFFFAOYSA-N 435.524 4.139 10 20 IICD CO[C@H](C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1)c1cnn(C)c1 798353477 AVWMZWISSAEGJB-FQEVSTJZSA-N 439.516 4.416 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3cccc(C(N)=O)c3)cc2Cl)C1 799993026 BSOQVBQZPKRQGO-INIZCTEOSA-N 428.964 4.017 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 800518473 ASHPISWJEGQKQQ-UHFFFAOYSA-N 437.613 4.232 10 20 IICD O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804542978 OZVCKVSXZABRLH-URXFXBBRSA-N 446.547 4.432 10 20 IICD COc1ccc(C(=O)N2CCC(N[C@H](C)c3cc(Cl)cc(C)c3O)CC2)cc1OC 808707253 JJTKNQVGNWESDB-OAHLLOKOSA-N 432.948 4.327 10 20 IICD O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 815022018 WULMFYWLGSZYSX-MRXNPFEDSA-N 446.466 4.314 10 20 IICD O=C1COc2ccc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)cc2N1 818783486 GKIYZYNHYWVSKK-UHFFFAOYSA-N 437.502 4.095 10 20 IICD O=C1COc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3Cc3ccco3)cc2N1 821683314 IXBZKIKQPHGHLH-UHFFFAOYSA-N 445.500 4.497 10 20 IICD COc1cc(Cl)c(F)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 857458215 RWLHTBRMBWBIDG-LBPRGKRZSA-N 428.838 4.488 10 20 IICD Cc1ccccc1-n1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)c2c1CCC2 920886164 DUYFTDZXLNFVNY-UHFFFAOYSA-N 432.593 4.153 10 20 IICD CCn1c(Cc2ccccc2Cl)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1121712902 SMIAFRUXNRVQAP-UHFFFAOYSA-N 425.964 4.015 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccccn3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1787297287 XZIHOESGOCLTDA-UHFFFAOYSA-N 437.883 4.208 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(F)c[nH]3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790777001 FHFQXYOMKFICIE-UHFFFAOYSA-N 443.862 4.280 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCC(F)(F)F)cc1 726236643 PFIOLPSJPBVESB-INIZCTEOSA-N 437.462 4.025 10 20 IICD CN(C)c1ccc(CN(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 726264192 SVKNPTHQHYZTOA-UHFFFAOYSA-N 430.593 4.074 10 20 IICD Cc1cc(C)cc(OCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726612771 JOTIEWFXBCNSEX-UHFFFAOYSA-N 433.499 4.252 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@@H](c2cccc(F)c2)C1 727604504 NNQUHVPQKJZXGK-OAQYLSRUSA-N 449.473 4.179 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)CCCCc3ccccc3)cc2F)CC1 730135294 SQRVYSVCRHZEQH-UHFFFAOYSA-N 426.580 4.132 10 20 IICD Cc1ccc(Cc2nnc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)s2)cc1 731114305 NEJMQLSOGWEPAK-LJQANCHMSA-N 438.553 4.356 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1F 731364400 ZTHBWDARUPXOMF-UHFFFAOYSA-N 449.530 4.319 10 20 IICD O=C(c1cc(Br)cnc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 731858251 JBCCNWDGEFXATL-CQSZACIVSA-N 425.710 4.025 10 20 IICD CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(O)cs3)c2)c1C(F)(F)F 732270202 QOMKDCUDUNESKD-UHFFFAOYSA-N 425.388 4.087 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](c3noc(C)n3)c3ccccc3OC)c2C)cc1 733781006 CIUSNUXXEOWARO-HSZRJFAPSA-N 446.507 4.322 10 20 IICD COc1cc(F)c([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 734068606 DKFMHQYSQYFHMB-WBVHZDCISA-N 432.492 4.000 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2)cc1 734470609 DVBDLEZDMKXWCZ-UHFFFAOYSA-N 437.565 4.100 10 20 IICD Cc1cc(C(=O)CN2CCN([C@H]3CCCN(C)C3)CC2)c(C)n1-c1ccc(C(C)C)cc1 734487197 MYIJEHVUIYAFFW-VWLOTQADSA-N 436.644 4.112 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)CC2)cc1 742565329 CREAQBAETZLKHQ-UHFFFAOYSA-N 442.466 4.039 10 20 IICD CCC[C@H](CC)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 743838561 WZBKOFWEXWNFHL-QTNMRXCUSA-N 441.416 4.345 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2OC)c1 747476624 WUYMKMKCTYOFLG-HNNXBMFYSA-N 436.464 4.018 10 20 IICD Cc1cc(N2CCSCC2)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 747976819 IDJQUMOQLWSRCK-OAQYLSRUSA-N 441.597 4.467 10 20 IICD COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1Cl 748008981 AHOXSLJYRISCBO-UHFFFAOYSA-N 438.914 4.169 10 20 IICD CN(OCc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 749141944 URTBFCKOPPEWBW-GHRIWEEISA-N 432.592 4.320 10 20 IICD CC(C)[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 751608626 ZZKRSBSZUQIMJD-LVCYWYKZSA-N 428.552 4.073 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cccc2ncccc12 751932332 YXHSUZYDNIUOPA-CQSZACIVSA-N 432.505 4.048 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1 752908744 DUPZMESYQMEFQI-RDPSFJRHSA-N 449.551 4.123 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3nc(C4CCCCC4)no3)CC2)cc1 752963690 VZSMEHNRKKNDGF-MRXNPFEDSA-N 427.549 4.155 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)CC2)cc1F 753738044 LJSCGJUFDALGFP-UHFFFAOYSA-N 442.922 4.253 10 20 IICD COCCOCc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F 754552591 PEECRPQHDHEJRD-UHFFFAOYSA-N 433.435 4.016 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H](c2ccc(F)cc2)C1 755864761 ZUZZSYHNWAXEKG-OAHLLOKOSA-N 446.525 4.023 10 20 IICD CSCC[C@H](N[C@@H](C)c1cc(Br)c(F)cc1O)c1nnc2ccccn12 756367167 XDMRAJWXAXLWMI-NHYWBVRUSA-N 439.354 4.482 10 20 IICD C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(Br)c1O 756500979 AEVBAFCHPHSFTA-WPRPVWTQSA-N 446.105 4.204 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)n2)c1 758382361 GSLOUXREXODFFO-UHFFFAOYSA-N 449.510 4.153 10 20 IICD C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 759594216 PWZNVYALFAOFEZ-KTROKBFUSA-N 446.431 4.083 10 20 IICD O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 760354388 XFYPUICDYFPWOZ-DHLKQENFSA-N 446.482 4.462 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(Cl)ccc1OC(F)F 761808162 YJTYTYRYQITTHI-UHFFFAOYSA-N 431.222 4.265 10 20 IICD Fc1cc(CN[C@@H]2CCc3cc(Cl)ccc32)ccc1N1CCN(c2ncccn2)CC1 765275954 JCSBCPOAWIFPNL-JOCHJYFZSA-N 437.950 4.373 10 20 IICD C[C@H]1CN(Cc2cccc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)c2)CCO1 765326822 WHIWCHGIKDXEHZ-PMACEKPBSA-N 444.019 4.248 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)c(Cl)c1F 766413174 AEABLQGAUIQGDW-UHFFFAOYSA-N 445.691 4.147 10 20 IICD CC(C)(C)c1ccccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 771298502 WMIYJSZLZCOOPA-UHFFFAOYSA-N 447.558 4.170 10 20 IICD C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc(N2CCOCC2)cc1Cl 773087384 LBEDDUVEYQJSTJ-RTBURBONSA-N 429.008 4.448 10 20 IICD COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1cccc(Br)c1O 775146831 QXRFOMTURQKOKE-NSHDSACASA-N 427.726 4.324 10 20 IICD CCOc1cc(/C=C/C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1O 780919239 SJKKEGGSYFHTJJ-ONNFQVAWSA-N 432.467 4.191 10 20 IICD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896626 RRSBZEICEDOFQA-UHFFFAOYSA-N 444.915 4.132 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2)nn1 783314768 QURYZKQHVFYNEY-UHFFFAOYSA-N 447.539 4.019 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 788973976 BMWZGUGNRABCQM-IBGZPJMESA-N 430.552 4.088 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)O[C@@H]1CCc2cccnc21 789677875 RYAWUFPZRKTGLU-XYGUXCPDSA-N 430.576 4.355 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)nc1C 791251049 XJJFKTKCIVFXAM-UHFFFAOYSA-N 437.462 4.411 10 20 IICD CCc1c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cnn1C(CC)CC 792221022 IFSINWZASGVHRH-UHFFFAOYSA-N 439.604 4.298 10 20 IICD CN(C)c1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(C(F)(F)F)c1 792788200 AGLROCMIKVQPRS-UHFFFAOYSA-N 437.481 4.439 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(Br)cc2Br)c(O)c1 797607234 KHEILUATWUVRKY-UHFFFAOYSA-N 430.096 4.248 10 20 IICD CCCN(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCCc2cccnc21 805023581 JXTOAIRRDRFFBQ-XMMPIXPASA-N 448.611 4.250 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3C)SC2=S)cc1 806548498 FFXYYHWOBGTAGG-UYRXBGFRSA-N 429.563 4.465 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ncc(Cc2ccccc2F)s1 806789397 LQJAJJOEJMVBHR-UHFFFAOYSA-N 444.507 4.170 10 20 IICD CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C(F)(F)F)cc1O 810212734 WVRAEJZSAHAOMU-KRWDZBQOSA-N 440.462 4.128 10 20 IICD Fc1cc(CNCc2ccc3c(c2)CCCC3)ccc1N1CCN(c2ncccn2)CC1 813770918 LNLGTUWZDUWKCV-UHFFFAOYSA-N 431.559 4.111 10 20 IICD CC(C)c1ccc(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 814274978 JIMTWMBWJSKPHD-UNOMPAQXSA-N 446.619 4.466 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(Cc2ccc(F)cc2)CCOCC1 814319698 NDDVROUPUIHFFV-UHFFFAOYSA-N 428.573 4.035 10 20 IICD O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 831835365 RIHQKPCXKXFAGW-UHFFFAOYSA-N 425.422 4.299 10 20 IICD CCN(CC)Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916215623 VYDSKZZRJHFIPK-HSZRJFAPSA-N 425.573 4.125 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)c(OC)c1 916231315 PHABTOHTIYWESJ-VWLOTQADSA-N 445.519 4.312 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1OCC(F)(F)F 917260766 QBWCYPHRWCKOCE-UHFFFAOYSA-N 433.430 4.369 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)c12 917822112 CFGBCHAOIATJQN-UHFFFAOYSA-N 434.540 4.414 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(OCCOC)c(C)c3)n2)cc1 917907099 PAFVPQJYPOUOGT-UHFFFAOYSA-N 448.566 4.343 10 20 IICD CCCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 918439146 TWBQPDUUFLLHRF-UHFFFAOYSA-N 425.598 4.227 10 20 IICD Fc1cc(CNCc2ccc3ccccc3c2)ccc1N1CCN(c2ncccn2)CC1 920180540 ZKBDXZGGISVHPP-UHFFFAOYSA-N 427.527 4.385 10 20 IICD COc1ccc(-c2nc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)cs2)cc1 920473526 VIDRHLSXSZJOSH-GZTJUZNOSA-N 431.608 4.114 10 20 IICD O=C1c2ccccc2C(=O)N1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 29071318 WKILIYGWNMUOOU-GOSISDBHSA-N 433.533 4.117 10 20 IICD COc1ccc(N(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)Cc2cccs2)cc1 110630191 HQOGEEJPQCNUGE-HXUWFJFHSA-N 435.593 4.406 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2F)CC1 303297788 MGPLQEHNWAWHAQ-HXUWFJFHSA-N 446.567 4.143 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(SCc3cccnc3)cc2)n(C)c2ccccc12 472794775 UHCRYEVANDOUPS-UHFFFAOYSA-N 444.560 4.429 10 20 IICD CC(=O)N[C@H](CC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(Br)cc1 473275294 QMPJSSCBZZAOKC-LJQANCHMSA-N 442.357 4.133 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1C(N)=O 727248378 CPLQFLIDFRJVJS-UHFFFAOYSA-N 429.567 4.217 10 20 IICD CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727490267 IQBGOKCBEIHMIH-MOSHPQCFSA-N 442.537 4.271 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 734402880 RCYVQCUCVPSCIP-QFIPXVFZSA-N 429.564 4.383 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c2)CC1 739599230 OZIUIPJBHJHHDU-UHFFFAOYSA-N 441.597 4.350 10 20 IICD O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 741136656 IRZWXCJOYQEIDZ-UHFFFAOYSA-N 441.490 4.314 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@H]1c1cccc(F)c1F 741541990 OKLLAXVYSUUVDU-SJORKVTESA-N 440.412 4.240 10 20 IICD CCOc1cccc(CN[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c1O 742392517 PVGFOUFABOMZHL-HSZRJFAPSA-N 441.549 4.082 10 20 IICD CN(C)C(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 743286212 JDXQRLWBMQCYER-UHFFFAOYSA-N 438.572 4.244 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 743339650 UXRTUJGJDCIENC-HXUWFJFHSA-N 425.916 4.361 10 20 IICD COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743669535 BYAPDPOLAZGJMA-DLBZAZTESA-N 449.498 4.032 10 20 IICD Cn1cnc2cc(NC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)ccc21 743784367 RPVGKVFFICEVBN-BOPFTXTBSA-N 442.591 4.255 10 20 IICD O=C(Nc1ccccc1CC(F)(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O 743888229 SWPGTPAFDAPGMZ-UHFFFAOYSA-N 432.398 4.258 10 20 IICD O=C(NC[C@H](c1ccccc1)N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 745512106 HLKICZXRCQEOMC-XMMPIXPASA-N 437.584 4.310 10 20 IICD CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 745649197 ZLLYLSDOEMVMQC-NRFANRHFSA-N 427.564 4.258 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)c(C)c1 749738055 PPJAIXKCIJSHMU-UHFFFAOYSA-N 432.571 4.084 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)CC2)cc1 751089811 BKFNECFUIUHOLE-TZIWHRDSSA-N 429.586 4.023 10 20 IICD CCC(=O)c1ccc(OCCCCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 754036589 BVWBGSBOZASNCE-UHFFFAOYSA-N 442.531 4.325 10 20 IICD COc1cc(N2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)cc(OC)c1OC 759220961 NLBQBPXBXZVUHU-UHFFFAOYSA-N 432.948 4.037 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Cl)cc4cccnc34)SC2=S)cc1 763110147 WRMALMTYAZLWQZ-YBEGLDIGSA-N 425.922 4.393 10 20 IICD Cc1ccc2c(c1)[C@H](NC(=O)CCCN1C(=O)/C(=C/c3cccs3)SC1=S)CO2 763755569 OXWWEYUHITVCLE-CJMVGXJBSA-N 444.603 4.288 10 20 IICD O=C1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc3c2N1CCC3 764951818 RAXMYDHRVHYBER-UHFFFAOYSA-N 445.953 4.100 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CC[C@H]5CCCC[C@@H]5C4)n3)CC2)cc1 771068720 SQKKCKZUVCZOJK-VAMGGRTRSA-N 438.572 4.043 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc4nnc(-c5ccsc5)n4n3)cc2F)C[C@H](C)O1 772652216 XBUVYHKIYQJMKL-GJZGRUSLSA-N 438.532 4.218 10 20 IICD C[C@H](NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(N2CCOCC2)cc1 775258310 XCHVBSDKXYCADW-SIBVEZHUSA-N 439.575 4.361 10 20 IICD CCOc1cc(NC(=O)c2cccc(O)c2O)c(OCC)cc1NC(=O)c1ccccc1 776615440 LOCQWVPFZVVMOB-UHFFFAOYSA-N 436.464 4.400 10 20 IICD O=C(NCCCCCc1ccc(F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 777704261 NCDXZATYSPUPGO-UHFFFAOYSA-N 427.564 4.247 10 20 IICD CCOCCOc1ccc(Br)cc1NCc1cc(OC)c(OC)cc1O 779168207 WSDDBYLFVISEHN-UHFFFAOYSA-N 426.307 4.199 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](COc4ccccc4)C3)cc2F)C[C@@H](C)O1 779979555 CKCRRXAIYJADJP-SFHLNBCPSA-N 441.547 4.050 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)cc2Br)cc1 784109661 XNWOFABOIJBNBM-UHFFFAOYSA-N 434.309 4.332 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3ccc(Cl)c(Cl)c3)cc2)CC1 786256756 KHLCECMZNKJINO-OAHLLOKOSA-N 434.367 4.082 10 20 IICD O=C(Nc1ccc(Br)cn1)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1 792166934 JLWFJIYCELVBRP-UHFFFAOYSA-N 442.716 4.193 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2)SC1=S 794685433 GQBPNMQCDBITCX-ZHZULCJRSA-N 438.574 4.315 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 799035791 LJNYAXUATVMGOI-VURMDHGXSA-N 425.378 4.497 10 20 IICD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N(CCC)Cc2ccccc2O)c1 799470653 MGWAIRMZLMWRRG-UHFFFAOYSA-N 433.574 4.223 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](c4nccn4C)C3)cc2Cl)C1 799994974 SUJLLIAHHJXODP-PKOBYXMFSA-N 429.996 4.399 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccc(I)cc2)CC1 800395279 QMKCSINCKACXBG-UHFFFAOYSA-N 434.321 4.047 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cccs2)cc1 802696433 AOINITKGJFAMOW-UHFFFAOYSA-N 435.601 4.271 10 20 IICD C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 804784566 PMCZUOUYKYANBR-BEFAXECRSA-N 442.562 4.478 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C 806266840 IWFGNJKKRFWCDF-UHFFFAOYSA-N 432.329 4.091 10 20 IICD Cc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ccccn2)cc1 807680292 OHUVJORNPGSCNC-RUZDIDTESA-N 444.579 4.099 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2ccc(N3CCCC3)cc2)c1=O 808869892 TZVMUJGETVACFT-UHFFFAOYSA-N 434.515 4.266 10 20 IICD C[C@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 815153291 LTLCXUHSGYDVHA-XXBNENTESA-N 432.568 4.082 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCCOC2=O)cc1 815635826 JUNZCQSVLXJWJN-ZWKOTPCHSA-N 427.520 4.421 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(CCC2CCOCC2)no1 815721345 ICAPCMOHAAXULI-SSZFMOIBSA-N 449.623 4.324 10 20 IICD COc1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914070036 QQVHMATZOOGPDI-ATVHPVEESA-N 432.592 4.055 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CSc2ccc3c(c2)OCCO3)cc1 914454542 DBXCLTGXHWUIPI-UHFFFAOYSA-N 438.549 4.438 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 914505986 VFLVALCNVPTXIR-UHFFFAOYSA-N 425.617 4.212 10 20 IICD O=C(NCc1cc(Br)ccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 916568363 SMRVOMGHABUSKW-KRWDZBQOSA-N 437.309 4.185 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)c4ncccc34)sc2C)cc1 917846606 WUYPOQRPWACCDQ-UHFFFAOYSA-N 441.534 4.485 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4cnccc34)n2)cc1[N+](=O)[O-] 917867035 PQKQTEDXMZFPIZ-UHFFFAOYSA-N 426.479 4.376 10 20 IICD O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 917889671 UACXGASWYJYKTF-UHFFFAOYSA-N 433.942 4.157 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)NCc4ccccc4)cc3)cc2F)CC1 1320870128 WYPCNJWAOHRMCP-UHFFFAOYSA-N 432.543 4.120 10 20 IICD Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c(F)c1 1790603670 QFZGHCJCCBMBGC-UHFFFAOYSA-N 435.455 4.002 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C2CC2)cc1 1792960917 JDGUAFZOXAGUQK-NWYALFIFSA-N 431.580 4.392 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)n2cccc2)cc1 1802791024 BYKBLKOFIAPMPZ-CEYBMKEASA-N 444.579 4.409 10 20 IICD CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1846077515 NTJOBJUWFPJVQS-WKILWMFISA-N 434.964 4.175 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCOc2ccc(F)cc2F)cc1 110146997 LSSBTYZXPKCSOU-OAQYLSRUSA-N 432.511 4.398 10 20 IICD CCCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1 27364000 DOGQZQAMHMVAJG-UHFFFAOYSA-N 437.613 4.480 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 210444994 FLXVXJHXGQQBEA-BOPFTXTBSA-N 433.482 4.094 10 20 IICD O=S(=O)(c1cccnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)N1CCCCC1 553537865 AFWIRXQXBLLBMM-UHFFFAOYSA-N 440.544 4.170 10 20 IICD Cc1cc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)c(C)n1-c1cccc(C(C)C)c1 816569511 OEUMRTDEBQFUBU-HXUWFJFHSA-N 435.572 4.243 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 810343815 ULGVXWZLGWQLPN-UHFFFAOYSA-N 446.498 4.084 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 726565795 KOPBMEUZDTXEBF-UHFFFAOYSA-N 446.454 4.169 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cc1nnnn1-c1ccccc1Br 727932756 AFHAOQIMPUIEFW-UHFFFAOYSA-N 441.377 4.047 10 20 IICD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 728196975 VCCOZIXLITVARP-UHFFFAOYSA-N 437.477 4.219 10 20 IICD CN(CC(=O)N[C@@H](c1ccccc1)c1nccs1)Cc1ccc(N2CCCCC2)cc1 738298975 KMMYIKOTUCBPEP-DEOSSOPVSA-N 434.609 4.471 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cccc(-c4nnc5n4CCC5)c3)cc2)CC1 731042008 JXXXBHSMLJJGGP-UHFFFAOYSA-N 430.556 4.449 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1F 731345915 LLGOHUXFMDRQFT-LJQANCHMSA-N 445.966 4.494 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCOc3cccc(C(F)(F)F)c3)CC2)cc1 918013238 MHUNQOFOTHEHHP-UHFFFAOYSA-N 437.462 4.015 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)C[C@H](C)O1 916682044 QYXFHPLWPMVCDX-ROUUACIJSA-N 436.512 4.228 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1 914577061 DJQPNSAFROUGCP-UHFFFAOYSA-N 426.878 4.190 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nc(NCc2ccco2)ncc1Cl 915848505 WNUFGKJFCHBQAA-UHFFFAOYSA-N 427.936 4.452 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 919791891 FWKRJZRWQAMKAA-LJQANCHMSA-N 436.581 4.222 10 20 IICD CC(C)[C@@H](NC1CCOCC1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 748470013 NSSMBWVZGZUGDG-HSZRJFAPSA-N 438.528 4.377 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 749729921 FCBLDNZAUFVYIH-UHFFFAOYSA-N 445.541 4.098 10 20 IICD CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 741097020 IUPGTKZLGDCIDR-UHFFFAOYSA-N 429.973 4.472 10 20 IICD CN(C)C(=O)C[C@H]1CN(C(=O)NCCCSc2nccs2)c2ccc(Cl)cc21 751446229 KEAGBLLRJFTSML-ZDUSSCGKSA-N 439.006 4.070 10 20 IICD CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751307225 HNKIEZNIYWSMNF-UHFFFAOYSA-N 427.508 4.311 10 20 IICD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 755538803 RFFXCONAJPKTFW-IBGZPJMESA-N 448.567 4.275 10 20 IICD Cc1ccc(N(C)[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 758406364 CPUAZDOFGOVVRI-SQJMNOBHSA-N 436.600 4.203 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2c(Cl)cccc21 757440653 YOKORRXNJVBJEX-UHFFFAOYSA-N 434.926 4.111 10 20 IICD Cc1cc(I)ccc1NC(=O)NCCCSc1nccs1 758493401 BKYDHUUHMWQCGD-UHFFFAOYSA-N 433.340 4.360 10 20 IICD COc1ccc(C(F)(F)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 857455703 HCJPPQQJSCKQDM-OAHLLOKOSA-N 426.410 4.174 10 20 IICD Cc1cc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)c(C)n1-c1ccc(C(C)C)cc1 754947201 DSPDUFFTLIGJRN-UHFFFAOYSA-N 433.552 4.121 10 20 IICD O=[N+]([O-])c1cccc2ncnc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c12 754015357 RVHUWXLBAKLWEI-UHFFFAOYSA-N 433.390 4.006 10 20 IICD CCCCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 759475501 UNVLHEGKLNJERQ-NRFANRHFSA-N 428.558 4.330 10 20 IICD C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1Cl 765322596 MCYDZEBYHGTNSQ-SBUREZEXSA-N 443.975 4.145 10 20 IICD COc1cc(Cl)cc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O 761191859 YFHFEUHBBFZQPD-UHFFFAOYSA-N 428.838 4.031 10 20 IICD CCOc1ccc([C@H](C)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1[N+](=O)[O-] 768105986 OXJPZOOXVDAWDM-KRWDZBQOSA-N 430.524 4.125 10 20 IICD O=C(NCCc1cccc(OCc2ccccc2)c1)NCc1ccc(N2CCOCC2)cc1 765665964 SZAHAEVWLLSYDX-UHFFFAOYSA-N 445.563 4.144 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1Cl 1116403160 GHLOYHBBNPFPJW-OAHLLOKOSA-N 435.355 4.325 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(N2CCCCC2)c(F)c1 765241849 DVTDRJNKELTENK-KNQAVFIVSA-N 438.591 4.369 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(SC)c1[N+](=O)[O-] 777159902 AVQYHUXHVADBAD-UHFFFAOYSA-N 425.304 4.447 10 20 IICD Cn1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccc(Br)cc21 776798065 SRIGLIHDDYDNBM-QGZVFWFLSA-N 430.346 4.223 10 20 IICD Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)nc12 773451817 VDXYKAVHNKSPSY-OAHLLOKOSA-N 444.377 4.074 10 20 IICD COCCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)ccc21 779331094 IWTWTFXCQWHUKD-UHFFFAOYSA-N 447.535 4.281 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c1 786891974 ZPHVAOJUVSROBT-JPYJTQIMSA-N 448.519 4.288 10 20 IICD C[C@@H](N[C@@H](CCO)c1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 781923401 NPIFNYUURJVZDI-QRWLVFNGSA-N 437.353 4.199 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 782512236 KWWRPLMUIGVNAC-KRWDZBQOSA-N 443.494 4.496 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 799239680 GARGTAKTZSXYCG-HSZRJFAPSA-N 438.572 4.113 10 20 IICD COc1cc(Br)cc(CNc2ccc(Cl)c(CN3CCOCC3)c2)c1O 797469608 SHFQGBXRMWQUSO-UHFFFAOYSA-N 441.753 4.261 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc(Br)c(Cl)c1 790831082 QDWUHFQXAOJROL-UHFFFAOYSA-N 428.677 4.460 10 20 IICD COc1cc2c(cc1NCc1c(C)nn(CCS(C)(=O)=O)c1C)oc1ccccc12 797848250 OOAOVZPHUYRGJP-UHFFFAOYSA-N 427.526 4.065 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(-n4cnc5ccccc54)cc3)cc2F)CC1 1251730559 RQSMUHNTQXYMQS-UHFFFAOYSA-N 429.543 4.206 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)n2)c1 15245421 UAWYYBZMEWPOAH-UHFFFAOYSA-N 449.510 4.153 10 20 IICD O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(Br)cc1Br 225613939 CEOOYXADUQHYQQ-UHFFFAOYSA-N 441.528 4.371 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](CO)[C@H](c4ccc(Cl)cc4)C3)ccc21 461259061 ARTIDQBZFQKGIF-REWPJTCUSA-N 440.971 4.406 10 20 IICD O=C1/C(=C\c2ccc(OCCN3CCCC3)cc2)SC(=S)N1CCc1ccccn1 726197185 NQIKOMFTEKXTGS-HEHNFIMWSA-N 439.606 4.000 10 20 IICD CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 727245796 NVTKJTROGJTOLZ-UHFFFAOYSA-N 432.523 4.105 10 20 IICD CN(CCCNC(=S)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1)c1ccccc1 728228183 JCFATSMJDRBDOC-UHFFFAOYSA-N 443.636 4.169 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cc(OC)ccc3OC(C)C)cc2F)CC1 730384202 BDEBUSHZJGQYOG-UHFFFAOYSA-N 444.551 4.085 10 20 IICD COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 730387420 GJKMTMRJWIETBL-UHFFFAOYSA-N 428.448 4.370 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(Cc2cccc(F)c2)s1 730666273 AJNPPSVWJOIYDR-UHFFFAOYSA-N 443.573 4.143 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ncccc2Cl)c1C(F)F 730771455 SVJICUBIGAJKIH-UHFFFAOYSA-N 431.874 4.389 10 20 IICD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(N2CCCC2)cc1 731682801 WUURWEDYVRWTKW-UHFFFAOYSA-N 425.920 4.032 10 20 IICD Cc1nn(C)c(Cl)c1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 731692203 QHLBSXSMFQPSKZ-UHFFFAOYSA-N 429.259 4.168 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 732227611 DKUXUZJIGUTAKU-HKBOAZHASA-N 435.612 4.319 10 20 IICD CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 733046558 BCUHNKOSCYGOHN-SFHVURJKSA-N 449.555 4.441 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(OC[C@H]3CCCO3)cc2)C1 733334356 HXOFSKRKYRCFAF-FYYLOGMGSA-N 430.976 4.358 10 20 IICD CSc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nc1 734827715 GCKJFLQPFDTVCF-UVTDQMKNSA-N 435.621 4.485 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(CN(C(C)=O)C(C)C)cc3)CC2)cc1 735174253 LKIYPIPPDYBPGB-UHFFFAOYSA-N 438.572 4.196 10 20 IICD CC(C)OC(=O)NCc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 735178163 IVTSCOSZLJTPSN-GOSISDBHSA-N 440.544 4.041 10 20 IICD COc1ccc(N(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)Cc2ccco2)cc1F 739926376 MEWFKCQZVCBKBK-IBGZPJMESA-N 437.515 4.077 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745592552 JLNZDKCMMSVZGD-UHFFFAOYSA-N 435.499 4.133 10 20 IICD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1C 747847644 RVRNKAPTUQZKDR-UHFFFAOYSA-N 425.438 4.414 10 20 IICD Cc1cc(CC(=O)NC2CCN(Cc3cccnc3)CC2)c(C)n1-c1ccc(Cl)cc1 748313920 IKFKNUXLPQOROF-UHFFFAOYSA-N 436.987 4.466 10 20 IICD CCOCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 750203772 UXFLMROCNUHRFW-IBGZPJMESA-N 435.362 4.124 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 750253579 NLZJKPZTAGIDGS-UHFFFAOYSA-N 448.567 4.061 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C)n1-c1ccccc1Br 752252138 CDWXISMOSVUMQQ-KRWDZBQOSA-N 442.361 4.001 10 20 IICD Cc1cc(-c2nnc(N3CCOC4(CCC4)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752844688 MDADOISNUUOYJE-OAQYLSRUSA-N 447.583 4.148 10 20 IICD Cc1nnccc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 753509552 FVABHMDAEPWESD-HNNXBMFYSA-N 429.423 4.222 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 755175409 NVKUWKNBZZYYRT-UHFFFAOYSA-N 436.556 4.452 10 20 IICD COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 755735826 BDBUAKDDMJJDKM-UHFFFAOYSA-N 437.568 4.053 10 20 IICD C[C@@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 756515038 BSAXYOSYAAUBSA-AUUYWEPGSA-N 439.434 4.043 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)n2)cc1 758386317 XEXHTCCSHYFIPV-UHFFFAOYSA-N 446.510 4.094 10 20 IICD COc1cc(N2CCN(C(=O)[C@H](c3cccc(Cl)c3)C(C)C)CC2)cc(OC)c1OC 759220734 MEXAVBHIDFVPIV-QFIPXVFZSA-N 446.975 4.454 10 20 IICD Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 759576690 ZAICRQJIYGLUIB-OAHLLOKOSA-N 425.023 4.413 10 20 IICD COc1cc2c(cc1NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)oc1ccccc12 759597387 YIOSOLLLPQFFEL-VQHVLOKHSA-N 433.416 4.201 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 761967369 MDNAGXPTQCVPPZ-GAJHUEQPSA-N 434.492 4.246 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1nc2cc(Cl)ccc2s1 762104526 GLOJGGNQVWDETR-UHFFFAOYSA-N 436.320 4.316 10 20 IICD COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 764861517 MVHWRAXRJKQIMP-SANMLTNESA-N 445.563 4.344 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 773854146 AOBCFJVGNKMNPV-IBGZPJMESA-N 430.552 4.205 10 20 IICD CC[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Br)ccc1O 775484820 JWWWTNUCAPZWGA-CYBMUJFWSA-N 429.240 4.457 10 20 IICD Cc1cc(Br)cc(CNCc2csc(CNC(=O)c3ccccc3)n2)c1O 776230075 FMILMIQGPIEHDZ-UHFFFAOYSA-N 446.370 4.139 10 20 IICD CN(c1ccc(CNC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1)C1CCCCC1 777475336 OFUFXDVPZMPTJV-SANMLTNESA-N 432.568 4.261 10 20 IICD COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(Br)cc(F)c3O)ccc21 779080550 ZZPVIUPLQJDYTJ-GFCCVEGCSA-N 437.309 4.393 10 20 IICD COc1ccc(C[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC 781327523 LVBJUXKXGXRPIM-CVDCTZTESA-N 440.584 4.156 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 783315999 KAJSNBFUMDXTFX-UHFFFAOYSA-N 439.890 4.383 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N)cc1 783487017 SILZPGYQNRJGND-QGZVFWFLSA-N 442.519 4.277 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(N(C)C)cc1 785682659 RMIMHHIUSQEXTR-OAHLLOKOSA-N 448.548 4.116 10 20 IICD COC(=O)c1sc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1Cl 788493434 PFFCNGNEMVZCLS-UHFFFAOYSA-N 430.718 4.310 10 20 IICD C[C@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1O 790500008 AXFNGKSHZNWMTO-LBPRGKRZSA-N 434.290 4.472 10 20 IICD COc1ccc(CNC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c(O)c1 792970014 GARUEDVCVVNYBF-NRFANRHFSA-N 436.508 4.201 10 20 IICD Cc1cc2sc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)nc2cc1F 797674237 VZJFHFIBWOGOMZ-UHFFFAOYSA-N 428.533 4.274 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1 808362240 KWNLFZDLGVYLRD-ULQDDVLXSA-N 435.565 4.092 10 20 IICD COc1ccc(C(=O)N2CCC(N[C@@H](C)c3cc(Cl)cc(C)c3O)CC2)cc1OC 808707252 JJTKNQVGNWESDB-HNNXBMFYSA-N 432.948 4.327 10 20 IICD O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 817223389 QPEKPSUVYOIZAL-CZIWCDLHSA-N 446.525 4.070 10 20 IICD CCOC(=O)c1cnn(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)c1C 915068145 YOCVTZMUWOATHK-UHFFFAOYSA-N 446.551 4.228 10 20 IICD CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 915930868 AUASOUQTMFSRMA-HYBUGGRVSA-N 440.540 4.251 10 20 IICD O=C(c1ccccc1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 917086806 KXMUWGCSYOBBAE-UHFFFAOYSA-N 435.455 4.414 10 20 IICD CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917711356 FYBLAEVPZKVQRU-HUUCEWRRSA-N 446.592 4.313 10 20 IICD CCOc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 918140655 NXVPJYHFPKCICV-IYBDPMFKSA-N 425.504 4.249 10 20 IICD CCCCN(C)C(=O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 918199751 CIWSTARLTJYGRV-UHFFFAOYSA-N 438.616 4.317 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918219688 NDPJIOYEUNRUFR-HDICACEKSA-N 429.536 4.180 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(COCc3ccco3)c2)C2CC2)cc1 918457978 YWRQABRDJRPDEK-UHFFFAOYSA-N 447.535 4.192 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCCC[C@H]2CO)sc(C)c1-c1ccccc1 919770638 NZUKUDGVLODZBH-SFHVURJKSA-N 430.570 4.076 10 20 IICD CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 919776970 ANXWAUMQFNEWGN-LAUBAEHRSA-N 425.529 4.134 10 20 IICD Cc1cc(-c2csc(NC(=O)c3ccc(C(N)=O)nc3)n2)c(C)n1-c1ccc(F)cc1 1318093190 YJGKKDHHBVTFJZ-UHFFFAOYSA-N 435.484 4.103 10 20 IICD Cc1nc(CN2CCN(C(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)CC2)oc1C 1318314260 WVICFZSUEDPPNG-UHFFFAOYSA-N 426.948 4.310 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](c1ccccc1)c1cnn(C)c1 1323779624 ZYVSTZYSROZPLL-FQEVSTJZSA-N 443.345 4.209 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3SCC(N)=O)c2C)cc1 16332940 WTRZLWULBBMRMN-UHFFFAOYSA-N 436.533 4.020 10 20 IICD CNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 71992052 PNLIFZXWLDAZQY-UHFFFAOYSA-N 426.314 4.469 10 20 IICD CN(C(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)c1ccccc1 97576321 PGWZKOIORUHERI-XMMPIXPASA-N 444.531 4.490 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 726246245 DRXGKJUCDMOLHU-NRFANRHFSA-N 428.621 4.293 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1 726561155 AJZOSDYNMSNJRS-UHFFFAOYSA-N 426.520 4.433 10 20 IICD CSc1nc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccn12 726565370 FCUHIRIHHYYKOH-UHFFFAOYSA-N 432.496 4.056 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 727245592 AXELKPKSYIVVEV-UHFFFAOYSA-N 448.469 4.478 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc2F)CC1 730133183 KVNAIARWLXHGTR-MRXNPFEDSA-N 434.506 4.148 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCc3c[nH]c4ccccc34)cc2F)C[C@@H](C)O1 730823952 RAEGXKCPXQWFPC-HDICACEKSA-N 438.547 4.353 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)N1CCc2sccc2C1 731034481 IBZMKGAZCSFNED-UHFFFAOYSA-N 441.597 4.110 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1 735611675 YYYVBQKRAWBQLV-UHFFFAOYSA-N 442.440 4.416 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)N[C@H]2CCOc3ccccc32)cc1 741479284 PGJGQRASTOBVQY-UNMCSNQZSA-N 425.598 4.132 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 741678053 IPUSWKVUOVWSEL-QHCPKHFHSA-N 437.584 4.100 10 20 IICD C[C@H](CCc1cccn1C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 741992968 JDYXEGWBTZHEPB-SULWINFOSA-N 447.651 4.206 10 20 IICD COC(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 743294538 NHUOLTMCFHQIGV-UHFFFAOYSA-N 425.529 4.329 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 743716578 SLRFPHFBKFCXLM-SFHVURJKSA-N 426.944 4.093 10 20 IICD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 746035085 HLPHRARCOYFXQC-FQEVSTJZSA-N 440.540 4.490 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)C1(C(=O)NC2CC2)CC1 749733099 OXNBKHRYBZXXKW-IBGZPJMESA-N 445.485 4.357 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 751085361 VCSYPKLMEQSABF-VQTJNVASSA-N 431.627 4.099 10 20 IICD C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680511 HLAPNYCQPHNSCW-RVKKMQEKSA-N 439.528 4.130 10 20 IICD C[C@@H](NCc1cn2ccccc2n1)c1cc(Br)cc(Br)c1O 756360480 DNCJNMDPAWFMRK-SNVBAGLBSA-N 425.124 4.416 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(-c3ccccc3Br)c2)c1 756501739 NMOMMZFGGZWRPI-LBPRGKRZSA-N 431.290 4.232 10 20 IICD CCOC(=O)COc1ccc(CCN[C@@H](C)c2cc(Br)cc(F)c2O)cc1 756733352 QHRPADHXLGNKKX-ZDUSSCGKSA-N 440.309 4.129 10 20 IICD O=C(NCCCSc1nccs1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 759578370 FBSZIZREVDDDDY-ZDUSSCGKSA-N 446.520 4.102 10 20 IICD CC(C)(C)c1cnc(SCC(=O)NCC(=O)Nc2ccccc2Br)s1 759713664 KKMHZTOGWGRHDY-UHFFFAOYSA-N 442.404 4.050 10 20 IICD O=C(NCc1csc(-c2ccco2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 764359033 SYYFZJYOBZOIPG-AWEZNQCLSA-N 448.495 4.473 10 20 IICD COc1ccccc1SC[C@H](C)CNC(=O)NCc1cccc(Br)c1O 764780511 RSNNFENFYYVTFZ-CYBMUJFWSA-N 439.375 4.391 10 20 IICD Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCc2cccc(Br)c2O)cc1 764792568 WABICMUWXVHLHN-YLJYHZDGSA-N 433.346 4.430 10 20 IICD C[C@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(N2CCOCC2)c(F)c1 765148831 FKOJYWHYYQCGRH-KRWDZBQOSA-N 433.518 4.256 10 20 IICD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NCc1cccc(Br)c1O 765259721 WRJGBRXQJLFSBQ-UHFFFAOYSA-N 446.345 4.457 10 20 IICD Cc1ccc([C@@H](CNC(=O)NCc2cccc(Br)c2O)N2CCCC2)cc1 765481444 UQJDIXCXKLJUSC-LJQANCHMSA-N 432.362 4.099 10 20 IICD COc1cc(Br)cc(CN(C)[C@H](CO)c2cccc(Br)c2)c1O 769527395 FZIFUOXTMQRDDP-OAHLLOKOSA-N 445.151 4.091 10 20 IICD C[C@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1cc([N+](=O)[O-])ccc1O 775556032 HMPMGKZKNRRFLH-HNNXBMFYSA-N 447.447 4.149 10 20 IICD COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 775832013 WHSDKRYOMQDHFD-GOSISDBHSA-N 446.551 4.303 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 785429234 XPPJGOAESQWSDT-NHCUHLMSSA-N 447.501 4.182 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(F)c(F)cc3C(=O)c3ccccc3)CC2)cc1 792801620 PYBHVDZKUHLTQW-UHFFFAOYSA-N 436.458 4.167 10 20 IICD CO[C@@H]1CCC[C@@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 793570549 GCYIEEZZJODMRL-UIFIKXQLSA-N 433.593 4.030 10 20 IICD CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 795546276 BCEWYRANFRMBJI-UHFFFAOYSA-N 446.550 4.034 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798988539 CZQBSNPAADLWOB-LBPRGKRZSA-N 429.822 4.370 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Oc1ccncc1 807512329 SUFBDPKEKJMIOU-UHFFFAOYSA-N 446.290 4.450 10 20 IICD COc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1OC 807602689 JQOLNBAOOGASCY-IEBWSBKVSA-N 428.529 4.170 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)nc3C)n2)c(F)c1 808527923 RBEUMIYZBRYIGA-UHFFFAOYSA-N 440.909 4.065 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cc1 814288412 ATXMDTWJGAYPPP-HSWQHBDASA-N 427.547 4.429 10 20 IICD CN(C)c1ccc(CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C2CC2)cc1 914437236 FSAHERWZZHKTPY-UHFFFAOYSA-N 440.594 4.257 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c(F)c1 914791573 UFGMABWSQHKDBS-UHFFFAOYSA-N 431.514 4.197 10 20 IICD CCCC(=O)NC1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917637983 MJIMRJXEGRENMY-QFIPXVFZSA-N 447.539 4.115 10 20 IICD Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917710011 LUADSCGIJSGDPT-IAGOWNOFSA-N 435.543 4.463 10 20 IICD C[C@H](N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1 917938192 HGCDYXMZYFHZFF-LSDHHAIUSA-N 443.459 4.048 10 20 IICD Cc1cc(C(=O)NCCc2cn3ccccc3n2)c(C)n1-c1ccccc1Br 917998777 QGCZLMJLNLSXFF-UHFFFAOYSA-N 437.341 4.477 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 918130543 APMNGYJVLXSMEH-UHFFFAOYSA-N 431.540 4.180 10 20 IICD CCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918219179 GSNKUGXNIGNXSZ-UHFFFAOYSA-N 439.531 4.437 10 20 IICD CC(C)Oc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 921005358 FNBPXLJDBUMYFA-UHFFFAOYSA-N 436.474 4.188 10 20 IICD CN1CCN(c2ccccc2CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 1252362261 QVFXZLQRACWVIA-UHFFFAOYSA-N 436.600 4.189 10 20 IICD O=C(CSc1nc2ccccc2[nH]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1319746157 QZAZICJDCAXIPK-AWEZNQCLSA-N 432.496 4.042 10 20 IICD Cc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788425479 SRWXFRZUTWRNFQ-UHFFFAOYSA-N 435.455 4.002 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CNc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 111072334 XQKQHMJKAZAFHJ-HUUCEWRRSA-N 439.453 4.186 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1ccsc1 302888608 AMWIZYJDVXUEGX-UHFFFAOYSA-N 435.549 4.109 10 20 IICD Cc1c(CNC(=O)C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)n(C)c2ccccc12 673315272 MEGREJAANIUMBE-QFIPXVFZSA-N 432.568 4.060 10 20 IICD CC1(C)CN([C@H](CNCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)CCO1 728774666 UUOJFFCNMKTPRV-XMMPIXPASA-N 444.019 4.118 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 734468065 IDDDMECNQJWLCT-UHFFFAOYSA-N 440.588 4.365 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(C[S@](=O)c2ccccc2)c1 734653666 LIBDOOMLAZJRRE-YTTGMZPUSA-N 449.576 4.153 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 734687045 DMMZIDCUGYKSIO-FQEVSTJZSA-N 432.362 4.107 10 20 IICD CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737258884 BBURPOMIQZWJEY-UHFFFAOYSA-N 443.507 4.205 10 20 IICD CN1CCCc2cc(CNC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc21 737821154 PMEFVMSKYGXBAM-VWLOTQADSA-N 443.547 4.353 10 20 IICD Cc1cc(CC(=O)NCCc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccc(Cl)cc1 741609497 UTYOYTSHQLBNBY-UHFFFAOYSA-N 437.971 4.351 10 20 IICD CCOc1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c(O)c1 742385292 VTLOGIBLVRLCCF-HSZRJFAPSA-N 447.503 4.352 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 742475303 DXSRSWFOBUDIHT-FQEVSTJZSA-N 438.547 4.376 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2ccco2)nc1O 742801715 SCLWGUJQUJTWTP-AWEZNQCLSA-N 429.423 4.047 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 743957876 FDIAVFLEJCLZGY-UHFFFAOYSA-N 426.822 4.198 10 20 IICD O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N(Cc1ccccc1O)C1CCCCC1 745289823 RGOXQKGFUXCUPU-XMMPIXPASA-N 437.584 4.138 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 745786146 GDLAEEUJIDKGAD-CQSZACIVSA-N 449.345 4.436 10 20 IICD CN(C)c1ccc(CNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1F 748638563 LNQBOGWEYPZFHX-UHFFFAOYSA-N 447.436 4.299 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 749731500 QUJYCDCUINLPGQ-UHFFFAOYSA-N 431.514 4.312 10 20 IICD O=C(Cc1cc(Cl)cc2c1OCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 754245383 FAMGTHBFQBNTPH-UHFFFAOYSA-N 436.886 4.204 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc([C@H]2CCCO2)s1 756003210 WJJGISUOQHNOSO-GOSISDBHSA-N 427.492 4.140 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 756671196 LAYNBMAGCXXAMC-DNQXCXABSA-N 432.572 4.054 10 20 IICD CCCOc1ccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC 761032616 RKOCYEAINHJEBX-CQSZACIVSA-N 432.904 4.368 10 20 IICD C[C@@H]1CN(c2ccc(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)C[C@@H](C)O1 765128891 XPYLVFUNYHLVRJ-QZTJIDSGSA-N 442.535 4.106 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(-c2ccccc2)cc1 765903768 LGFPTDGWGLIRPR-UHFFFAOYSA-N 425.282 4.077 10 20 IICD Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NCc3cc4c(cc3O)OCO4)cc2Cl)n1 770538988 BFEBLWKSRXAWFM-AWEZNQCLSA-N 442.903 4.399 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)cc1)C1CCCCC1 770732616 YLUCTEJYDMWMCN-UHFFFAOYSA-N 449.530 4.035 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(OCc3ccccc3)cc2O)cc1 775990368 QSRNZEAYIISOOQ-LJQANCHMSA-N 425.550 4.232 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCO[C@H](C)C2)sc(C)c1-c1ccccc1 776407299 DEQKFIKZXXGVPT-PBHICJAKSA-N 445.537 4.197 10 20 IICD CO[C@H]1Cc2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1 784080192 YCTAAQZJQQJPLE-YWZLYKJASA-N 440.499 4.015 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3nc(C(F)(F)F)cs3)CC2)cc1 787158413 DJHBRAHQRMCQAU-GFCCVEGCSA-N 428.480 4.200 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 791249087 CEDIFRKWIZTUPK-GOSISDBHSA-N 440.540 4.045 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](N4CCCCC4=O)C3)cc2Cl)C1 799994066 IHCFLAQBQRRUIR-ICSRJNTNSA-N 447.023 4.263 10 20 IICD CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801870940 KEMXTZRSSRUDOD-UHFFFAOYSA-N 442.567 4.295 10 20 IICD CCC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(C(F)(F)F)c1 803663427 OWELRGBEBSOOLM-SFHVURJKSA-N 439.453 4.184 10 20 IICD Cc1cc(=O)cc(C)n1CCCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 811355171 XYKQCSIMVGXIIZ-UHFFFAOYSA-N 438.499 4.218 10 20 IICD O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 812006193 RYEGSETWPRMARX-QFIPXVFZSA-N 428.577 4.020 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3c3ccncc3)cc2F)C[C@@H](C)O1 814283763 JMIBSUXIANSGGC-DRSNIGMVSA-N 426.536 4.127 10 20 IICD Cc1cc(Cl)cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 815117931 JAZGHNNMAKFYGE-UHFFFAOYSA-N 425.939 4.194 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 819756328 TYESNCNYXGPSBL-UHFFFAOYSA-N 426.300 4.004 10 20 IICD CCN(CC)Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 857471811 BNFFPAJYFAJHAS-QFIPXVFZSA-N 429.992 4.282 10 20 IICD CSc1nc2ncn(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)c(=O)c2s1 915672122 WZVOPNXKOPYRIP-UHFFFAOYSA-N 428.514 4.004 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2F)C[C@@H](C)O1 916668899 JIGQCZBAJMJHMX-BETUJISGSA-N 436.871 4.323 10 20 IICD CCCCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 916677623 ADMMJRMYNZDNTI-UHFFFAOYSA-N 441.572 4.405 10 20 IICD Cc1cc(CC(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1-c1ccc(Cl)cc1 917342823 HOGUNWFPYVURNY-UHFFFAOYSA-N 436.987 4.466 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)s1 917859200 JGHPSFKZJPRXKK-UHFFFAOYSA-N 433.580 4.127 10 20 IICD CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S 918066805 NMWSORXQYJKKPY-UHFFFAOYSA-N 434.569 4.273 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1 920190466 HORJQVAOUMFEKZ-UHFFFAOYSA-N 437.462 4.037 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c1 1327542370 GEWFBSAFDFMIFE-UHFFFAOYSA-N 445.972 4.073 10 20 IICD Cc1cc(-c2nnc(-c3cc4c(=O)n5ccccc5nc4n3C)o2)c(C)n1-c1ccccc1 1329364114 LNTKBBPPDAACGU-UHFFFAOYSA-N 436.475 4.311 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3coc(C(C)C)n3)C2)cc1 1842166993 LGYLJEYVKNWORK-UHFFFAOYSA-N 446.551 4.336 10 20 IICD COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 1848332579 SRNATVBSTJDCKN-SFTDATJTSA-N 449.576 4.293 10 20 IICD CCN(C(C)=O)c1nc(COC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cs1 25569937 ZLZQQXMBXLSEOJ-UHFFFAOYSA-N 427.526 4.289 10 20 IICD Cc1cc(C(=O)NC2CCN(CC3CC3)CC2)c(C)n1-c1ccc(Br)cc1 195587031 HDPIOYRCAAPLQM-UHFFFAOYSA-N 430.390 4.461 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 303041110 ZWSFZJQMXBSTQW-QFIPXVFZSA-N 445.510 4.344 10 20 IICD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 437023488 ILBMDEGPEOVKDI-UHFFFAOYSA-N 427.508 4.049 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(COc3cccc(F)c3)c2)n(C)c2ccccc12 472796737 VXHXTKPGPNLSCJ-UHFFFAOYSA-N 445.494 4.460 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3)SC2=S)cc1F 726629061 HOYHOMXIWNVPDO-DJKKODMXSA-N 425.510 4.485 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N(Cc1ccco1)C[C@@H]1CCCO1 726720108 UIRIZQZMBCTUHG-NRFANRHFSA-N 449.498 4.241 10 20 IICD CC1CCN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cn2)CC1 727102333 ZGVNJSGHQWAITQ-RTBURBONSA-N 440.563 4.001 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccncc2)SC1=S 727176005 CUUJEWNHVFALMS-DEDYPNTBSA-N 441.622 4.450 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc(F)ccc3C)sc2C)s1 727248987 JLPVXRSHCCSRRM-UHFFFAOYSA-N 439.559 4.064 10 20 IICD CCOCCOc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 728393310 STRUYELCJKRDNN-UHFFFAOYSA-N 433.936 4.118 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 728839678 WAXPUIKOJLLDMS-UHFFFAOYSA-N 442.865 4.311 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1 728979419 HMIBQMMCRFCNAZ-QGZVFWFLSA-N 431.492 4.427 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3C)n2)cc1 731058922 GXPSAUCJWWKEAZ-UHFFFAOYSA-N 443.594 4.296 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNC(=O)C(C)(C)C)C3)cc2)CC1 733041181 SXNPCJLNVJBTSS-OAQYLSRUSA-N 428.621 4.007 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(Br)c1 734145850 OCVNJLDECPTTQW-FUHWJXTLSA-N 446.389 4.233 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1 734167228 OURRJWINMUQMLE-UHFFFAOYSA-N 427.936 4.278 10 20 IICD CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(N2CCOCC2)cc1 741729965 IPOBAYNEOPTNDR-UHFFFAOYSA-N 431.536 4.386 10 20 IICD COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC(F)F 742807289 ZHVXCAIRYMNVJC-ZDUSSCGKSA-N 442.409 4.297 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1cccc(C(F)(F)F)c1 745622156 KUVMVJCHALIXMR-HNNXBMFYSA-N 445.441 4.367 10 20 IICD COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746759130 PIMVOFFCYVMHQH-QFIPXVFZSA-N 443.563 4.382 10 20 IICD Cc1sc(NC(=O)CC2(CS(C)(=O)=O)CC2)c(C(=O)OC(C)C)c1-c1ccccc1 747298448 RGQSFPJNPUQMJN-UHFFFAOYSA-N 449.594 4.442 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 748449359 ZTQMAYPTGBOLFJ-UHFFFAOYSA-N 426.536 4.317 10 20 IICD Cc1ccccc1-n1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C 748531460 YYRAPLVGPMSNEW-HSZRJFAPSA-N 432.568 4.377 10 20 IICD COc1cc(NC2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc(OC)c1 754416918 OMIXJPUTLKFYBP-UHFFFAOYSA-N 434.540 4.223 10 20 IICD O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754551956 NFZZLNQHCXFGCN-UHFFFAOYSA-N 429.457 4.145 10 20 IICD CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754554439 ZNRKFENIKXJNSS-UHFFFAOYSA-N 437.455 4.299 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)cc1 755058041 DMGRNEHTDVHKQO-JWQCQUIFSA-N 443.680 4.011 10 20 IICD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 756055705 HONMWRYAIXLXQT-INIZCTEOSA-N 434.581 4.453 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(Cl)c1O 756710789 DSSVBLWLBMTMLL-ZUZCIYMTSA-N 427.701 4.403 10 20 IICD CN(CCC1CCOCC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 757742589 CMCAHMMJTQNDTM-VKAVYKQESA-N 438.640 4.005 10 20 IICD C[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 759730963 JLJHLZWOLXGWFR-IRXDYDNUSA-N 446.389 4.277 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)cc1 764599877 NGNNOPUZVYAMRL-UQBPGWFLSA-N 427.564 4.159 10 20 IICD C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(NC(=O)C2CC2)cc1 765452956 YIRUIJGUJVGTGE-GFCCVEGCSA-N 432.318 4.064 10 20 IICD CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)c1cccc(C(F)(F)F)c1 769738383 KNNUWGGHHRXUKY-LBPRGKRZSA-N 430.448 4.006 10 20 IICD O=C(NCc1ccc(OC(F)F)cn1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 774011265 BOCCRFOTSYQASO-UHFFFAOYSA-N 425.395 4.353 10 20 IICD CN1CCN(c2ccc(CNCc3cccc(Br)c3OC(F)F)cc2)CC1 776957313 BZRBVSJYNCJANE-UHFFFAOYSA-N 440.332 4.092 10 20 IICD C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 777014384 GRAQUBMSDSVABB-ONGXBYRLSA-N 442.909 4.362 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 777827254 YOEZOYRRYKCBSE-GOSISDBHSA-N 443.478 4.481 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1Nc1c(F)cccc1F 779167623 RXZSBEMYPNACBV-UHFFFAOYSA-N 448.520 4.402 10 20 IICD CCc1ccccc1NC(=O)CNC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 781961565 VGDRLAMNBRUHQO-UHFFFAOYSA-N 431.536 4.019 10 20 IICD Cc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423946 RDQISBXZGDJNMP-UHFFFAOYSA-N 425.916 4.475 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccccc1-c1ccno1 782460966 ZUVTUFJWPNRTLY-UHFFFAOYSA-N 437.315 4.021 10 20 IICD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 784621931 RDWKPJNCKRMQEC-UHFFFAOYSA-N 447.583 4.402 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N[C@@H](c2cccs2)C2CC2)cc1)C1CCCCC1 785792876 WJVCACXRBINMDW-JOCHJYFZSA-N 425.598 4.401 10 20 IICD O=C(c1cc(Br)cc(NCc2ccc(N3CCOCC3)cc2)c1)N1CCCC1 790498003 SAFGHLYWKCVCQH-UHFFFAOYSA-N 444.373 4.134 10 20 IICD CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cs1 800050037 MCMNTHZPSXGDLR-HNNXBMFYSA-N 449.020 4.486 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc(N(C)C)cc1 800627568 RKPICAAOBZFHOC-GFCCVEGCSA-N 443.853 4.163 10 20 IICD Cc1oc(C(C)C)nc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 803909101 KSJMZBJVFRPUIE-UHFFFAOYSA-N 438.480 4.325 10 20 IICD Cn1nc(-c2ccc(Cl)s2)cc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 804251296 HXRXXUCZHHYRDM-UHFFFAOYSA-N 437.308 4.130 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccc(F)cc3)CC3CC3)cc2)CC1 805023046 MUYJQJQJJRHEHA-UHFFFAOYSA-N 437.559 4.117 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(CN2C(=O)CSC2=O)cc1 806249123 ROUFNTPOFWCJGA-UHFFFAOYSA-N 440.308 4.216 10 20 IICD Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 806423947 LYERZHKFDHWPRC-GFCCVEGCSA-N 447.408 4.139 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 806457775 BNVQXMJOWDRBFV-RBUKOAKNSA-N 439.522 4.120 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1I 813684971 ZFPJGOSMFJSUPV-UHFFFAOYSA-N 440.039 4.373 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1 818638107 BPXQRCPMGCLHHD-VGOFRKELSA-N 434.515 4.110 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 914505412 DSGVMVLNXNYQHH-NRFANRHFSA-N 425.548 4.181 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3CN3CCCC3=O)c2C)cc1 914610140 OZAOVEIDVJCXQZ-UHFFFAOYSA-N 431.536 4.155 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2ccccc2F)on1 917380682 LGHUCZJJBIYEBP-UHFFFAOYSA-N 449.404 4.266 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3c(-c4ccccc4)nc4sccn34)cc2)C1 917437414 NWCCOGQNSVGFST-FQEVSTJZSA-N 445.592 4.054 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C2CC2)cc1 918028022 QMEMJYZXMUHONM-UHFFFAOYSA-N 428.964 4.439 10 20 IICD COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc1C 918316858 VTOWHVHYLINJPP-UHFFFAOYSA-N 434.452 4.387 10 20 IICD C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(N2CCOCC2)cc1 1318803086 CMHFHTZQVYEZLP-GCJKJVERSA-N 445.604 4.174 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1318958504 ZWGLVWBWMAGDFT-HSZRJFAPSA-N 430.552 4.393 10 20 IICD O=C(/C=C\c1nc2ccccc2s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 207710164 XCHFZBWAMLJZNG-FPLPWBNLSA-N 447.482 4.481 10 20 IICD Cc1c(CNC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)n(C)c2ccccc12 503390451 LSRQZCBUBFVKBJ-HXUWFJFHSA-N 437.544 4.201 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 727247660 HPUXYLMVNOXHRP-UHFFFAOYSA-N 431.495 4.016 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1CCc2c(O)cccc21 733976849 DDTMMIVJGYYSAR-YAJBTMAUSA-N 444.603 4.239 10 20 IICD Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc12 735517195 HLBDAMREDMRKMQ-JOCHJYFZSA-N 442.519 4.256 10 20 IICD Cc1cc(S(N)(=O)=O)cc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C 735753507 MSNMEAWDACMWBK-UHFFFAOYSA-N 444.601 4.041 10 20 IICD CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1-c1ccccc1F 741559108 QOBFJLOKPHUEGG-UHFFFAOYSA-N 449.452 4.240 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC3CCOCC3)cc2)cc1 742060575 XMRZODFKNCPEBU-RUZDIDTESA-N 438.568 4.132 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1ccc(Br)cc1 743623569 HYZFSVLYHDBOTM-MRXNPFEDSA-N 430.346 4.092 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 743716577 SLRFPHFBKFCXLM-GOSISDBHSA-N 426.944 4.093 10 20 IICD CCCc1ncc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 745266623 QOFGHNWPDIHFHR-ZDUSSCGKSA-N 448.500 4.055 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1 746117825 LVKNXXWSPDQRLT-UHFFFAOYSA-N 427.545 4.131 10 20 IICD Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)N2CCCC2)cc1 747306145 UHAKFBUNPNLNPX-RPWUZVMVSA-N 437.584 4.228 10 20 IICD Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)NCc3ccccc3O)cc2)cc1 748459699 IJIDMTDOAOIGGA-UHFFFAOYSA-N 447.535 4.498 10 20 IICD COc1cccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)c2c[nH]c3ccccc23)c1OC 751529439 CGPIWGCDBILZEL-FQEVSTJZSA-N 446.503 4.467 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(CCC(F)(F)F)CC3CC3)cc2F)C[C@@H](C)O1 752363382 VKWRMPHQZPZNRS-HUUCEWRRSA-N 431.474 4.313 10 20 IICD CC(=O)c1c(C)oc2ncnc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c12 752634811 GXHPLRZSMVBNIG-UHFFFAOYSA-N 434.418 4.201 10 20 IICD Cc1nc(CN2CCC(CN[C@H](C)c3cc(Br)cc(F)c3O)CC2)oc1C 756568613 GOTVMQQBABQRMT-CYBMUJFWSA-N 440.357 4.461 10 20 IICD CCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1-c1ccccc1 756659045 PRQCZPCWVUYQMW-HDICACEKSA-N 436.531 4.253 10 20 IICD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 757873207 JLMGHITXNJZCFX-UHFFFAOYSA-N 447.539 4.352 10 20 IICD CCn1c(-c2ccc(F)cc2)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S 764858890 WNKFYXKCIJDJSZ-UHFFFAOYSA-N 427.549 4.028 10 20 IICD O=C(CCc1cncc2ccccc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 764996037 ZKNNSYZVXKMGQY-UHFFFAOYSA-N 443.469 4.339 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1sc(C(=O)O)cc1Br 769635069 YYSVGDIOLNONKI-UHFFFAOYSA-N 434.333 4.147 10 20 IICD CN(CCC1CCN(C(=O)NCCCSc2nccs2)CC1)C(=O)OC(C)(C)C 770283054 SLFKBEUGNRWOJC-UHFFFAOYSA-N 442.651 4.304 10 20 IICD Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2Cl)n1 770487034 NMGJBOFEVKCEDN-CQSZACIVSA-N 442.903 4.325 10 20 IICD CN(C)c1ccccc1N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 772221142 RWLGNFLWWFWPIT-JXAWBTAJSA-N 445.635 4.459 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCNC(=O)c2cccc(O)c2)cc1 772715945 DXMFZJYCQBCKBK-UHFFFAOYSA-N 445.523 4.424 10 20 IICD C[C@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)c1ccc(N(C)C)cc1 775402465 BTPOTCVRBHMBHJ-LBPRGKRZSA-N 425.407 4.060 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 776009543 JWRODSXFQQVFKT-HOYKHHGWSA-N 425.550 4.093 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)c(C)n1-c1ccc(F)cc1 777835549 BLNKYEDBBSCXGI-UHFFFAOYSA-N 435.499 4.082 10 20 IICD Brc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)cc1 779023678 VSACOLJRCHGJMG-FGZHOGPDSA-N 431.374 4.296 10 20 IICD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483245 PTXVTKVEDXHNLI-MRXNPFEDSA-N 449.482 4.318 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C)nn1-c1cc(C)ccn1 786073273 PVAQAZFBIADMDJ-UHFFFAOYSA-N 444.333 4.406 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 795547573 MWRCEPVHHHJFQJ-UHFFFAOYSA-N 434.539 4.083 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 806458084 VHWQDWCPBNBMST-ZDXQCDESSA-N 437.559 4.265 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 806852494 AEYHTPCFBRLQLI-UHFFFAOYSA-N 426.517 4.050 10 20 IICD CCCCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807292067 UMLALADYJKBQBF-UHFFFAOYSA-N 425.960 4.161 10 20 IICD C[C@@H](NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc(N(C)C)cc1 807673438 SUIKYDAIJSJVFI-VFNWGFHPSA-N 439.606 4.227 10 20 IICD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 807834924 SBLSYNCCCCBHEL-KRWDZBQOSA-N 437.323 4.019 10 20 IICD C[C@H](NC[C@H](O)COc1ccccc1Br)c1cccc(C(F)(F)F)c1O 815596423 TXDQRIFYHFXFHS-RYUDHWBXSA-N 434.252 4.264 10 20 IICD CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 913058143 BHWWESMNKISHMM-UHFFFAOYSA-N 434.569 4.273 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1[N+](=O)[O-] 916097897 MXYXQGGNEFEXPF-UHFFFAOYSA-N 439.902 4.490 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccco1)Cc1cccs1 918217732 LDKXNWJBOVFCAN-UHFFFAOYSA-N 429.517 4.229 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1 918222815 XMXZVUJACQJIDL-JQVVWYNYSA-N 425.548 4.356 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccccc3)c2)C2CC2)cc1 918455339 BEOAEARFLYONAK-UHFFFAOYSA-N 443.547 4.461 10 20 IICD C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)C1 918455539 CVGCNUNHZXABJP-HXUWFJFHSA-N 448.611 4.114 10 20 IICD Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1F 919773201 ZZOCWAWSANQYBW-UHFFFAOYSA-N 440.544 4.340 10 20 IICD Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)c1 919860538 ZQWPMWJBUASDGI-UHFFFAOYSA-N 429.520 4.014 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 919910847 MUJFIHNPAFQVCB-UHFFFAOYSA-N 442.991 4.244 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)O[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 920238808 XXLMJVLSJSCNFG-YDLHNXBPSA-N 441.547 4.111 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2c1 1323110444 BOKPARRIIDTQSQ-QGZVFWFLSA-N 427.932 4.238 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4cccs4)s3)cc2)CC1 1324998995 QDLOGSZIAZSFRC-UHFFFAOYSA-N 425.579 4.075 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1 1786078070 DFLYHNNSTALMHA-ODHXBGJQSA-N 448.519 4.307 10 20 IICD Cc1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)n1-c1cccc(Br)c1 108412208 VFXWVQOEMGUGNC-UHFFFAOYSA-N 430.277 4.347 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)cc1 195700694 YACFZYHPAMGQGV-UHFFFAOYSA-N 448.894 4.268 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O 216483922 NXOIGEUEQYHVEN-IBGZPJMESA-N 431.536 4.296 10 20 IICD Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1NC(=O)c1ccccc1F 437022992 VKPRTAYRYVQUIB-UHFFFAOYSA-N 433.483 4.492 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)n(C)c2ccccc12 472780549 AITDCRMOSATRFN-SFHVURJKSA-N 432.568 4.102 10 20 IICD CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 578158908 QXLXMESVHGXHQY-UHFFFAOYSA-N 443.569 4.454 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccco1)Cc1ccccc1O 726097313 CGWOOBIZBOUMRF-UHFFFAOYSA-N 437.565 4.450 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 726561728 OCWTXZOYVANVKN-SFTDATJTSA-N 429.358 4.346 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)cn1 726985501 AZJISXWTNJBTQE-SZLZGVTBSA-N 428.535 4.054 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(-c4ccc(OC)cc4)no3)ccc21 728637411 KQHMIKRRFMKLBO-UHFFFAOYSA-N 435.480 4.320 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 728950568 TYSKOSNEBNCZSG-VGOFRKELSA-N 429.948 4.021 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c1 729052698 SYOHRDYXYLKRHE-QGZVFWFLSA-N 434.492 4.318 10 20 IICD CC(=O)Nc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)s1 729643161 OTKUNOGUCURNPA-UHFFFAOYSA-N 426.567 4.368 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccccc4)cc3OCC(C)C)CC2)cc1 730747116 HDRKULHBPVKDOR-UHFFFAOYSA-N 448.567 4.268 10 20 IICD COc1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)c1OC 733334364 INALZCGIVMHMSK-KRWDZBQOSA-N 425.356 4.470 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)C3CC3)cc2F)C[C@@H](C)O1 736653066 IMQLQZMNBHHOQD-IXFSTUDKSA-N 425.548 4.260 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCS[C@H](C)[C@H]2c2ccccc2)c1 738256229 VTJYZNBPTHWCLF-DVECYGJZSA-N 440.609 4.106 10 20 IICD CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc21 740800944 JUVZABBDXPOMOK-UHFFFAOYSA-N 427.570 4.032 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)C2CCN(CC)CC2)sc(C)c1-c1ccccc1 740874557 POTJEULOUCWKQA-UHFFFAOYSA-N 443.613 4.255 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OC2CCC2)cc1 742551661 JSWWRPGXSZFMNE-UHFFFAOYSA-N 434.458 4.403 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 743336502 KPDRTWHALMFSEE-CKJXQJPGSA-N 428.529 4.480 10 20 IICD Cc1csc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)n1 743554495 GKHJEDDHQZKPCE-QEEYODRMSA-N 432.565 4.155 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1)C1CCCCC1 743899652 VSRNMIGLPNEHDA-UHFFFAOYSA-N 437.588 4.412 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](CSc2ccccc2)C1 745648485 QRRFSVJUDFYCCC-IBGZPJMESA-N 443.588 4.111 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 745798240 XOBZYLXDUYGMNT-FQEVSTJZSA-N 432.609 4.320 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(-c2cccc(F)c2)no1 745920929 RZWRZBZHDPULKD-BEFAXECRSA-N 440.475 4.033 10 20 IICD Cc1cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752828234 AYDMYGMZHHMEHG-FPOVZHCZSA-N 449.599 4.393 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC2(CCC2)Oc2ccccc21 757634508 GHEXWKNSYVNCGD-QHCPKHFHSA-N 435.568 4.141 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(Br)c1 758164472 YAMHHLLZWBNPAA-UHFFFAOYSA-N 442.074 4.171 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccccc3Cn3cncn3)n2)cc1C 758384190 LBVMVBALCREIGE-UHFFFAOYSA-N 439.566 4.176 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)cc(OC)c1OC 760006962 CVODGGXTLALNFY-UHFFFAOYSA-N 436.512 4.062 10 20 IICD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(N=Nc2ccccc2)cc1 760152732 LQPSLVGOTBRGSW-VWLOTQADSA-N 439.475 4.434 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 760946003 BPCPMNMGUGINRS-HNNXBMFYSA-N 441.509 4.084 10 20 IICD Cc1ccc(CO)cc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 763027069 WKIZFWDBOUQEQL-BOPFTXTBSA-N 432.592 4.169 10 20 IICD COc1ccc(NC(=O)NCc2cccc(Br)c2O)c(Br)c1 765277636 TZDMPSFQBHYFDT-UHFFFAOYSA-N 430.096 4.248 10 20 IICD O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 765636658 OAPIGLKNLBAICM-KXFIGUGUSA-N 429.442 4.353 10 20 IICD C[C@H](NCCc1cn2c(n1)SCC2)c1cc(Br)cc(Br)c1O 768285115 DQEVBZZLMQQFNB-VIFPVBQESA-N 447.196 4.113 10 20 IICD CNC(=O)[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c2ccccc2O1 772038337 ZHNLPQFVOGXYNR-HSZRJFAPSA-N 443.507 4.322 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 776743195 DCIBNVKWIYBPDS-UHFFFAOYSA-N 440.502 4.241 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 778610280 XBLDVRQFGKXKNV-UHFFFAOYSA-N 429.948 4.291 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Cl)ccc1F 790186208 DERIIFFAFPTEEA-UHFFFAOYSA-N 434.867 4.028 10 20 IICD CN(C)c1ccc(CNc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c(C(F)(F)F)c1 792865941 UUAFKHQQSWXITR-INIZCTEOSA-N 435.490 4.228 10 20 IICD Cc1cccc(F)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 799187153 NNOWXJZOJGBWBU-UHFFFAOYSA-N 432.502 4.036 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccn(C4CCN(C)CC4)n3)cc2Cl)C1 800566334 XZRSKXYHCGYAPJ-KRWDZBQOSA-N 445.011 4.361 10 20 IICD Cc1nc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2)n[nH]1 800718514 AHOIDGDOTCHDDS-MAUKXSAKSA-N 430.984 4.092 10 20 IICD O=C(NCc1cc(F)c(C(F)(F)F)cc1F)NCc1cccc(Br)c1O 806055197 CTYITYHVOIXZJP-UHFFFAOYSA-N 439.178 4.451 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@]1(C)OCCc2sccc21 812552712 YMSPEMGTTDLLNX-LJQANCHMSA-N 439.375 4.236 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 914850480 KTMLMDIRHNLFJU-UHFFFAOYSA-N 432.523 4.171 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)cc2C[C@H]1C 915222238 IJTQRROUHXSPEK-CQSZACIVSA-N 427.551 4.217 10 20 IICD NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 915304429 SVLYCRKZMBGKGP-QHCPKHFHSA-N 442.523 4.478 10 20 IICD CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1Cc1ccccc1 916159239 OWOHFHLGGWKRTB-XMMPIXPASA-N 449.551 4.015 10 20 IICD O=C(CCCOc1cccc(Br)c1)NCc1ccc(N2CCSCC2)cc1 917385649 JAXACQLTNVLPSG-UHFFFAOYSA-N 449.414 4.478 10 20 IICD Cc1ccccc1OCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 917850525 LJTOBIVDPIJXEL-JXAWBTAJSA-N 446.619 4.233 10 20 IICD CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918213251 OBHAPDRPZSVZFP-LJQANCHMSA-N 425.573 4.243 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 921202170 SONJZVKRCOGTOL-IBGZPJMESA-N 442.991 4.097 10 20 IICD COc1ccc(N2CCN(CCCNCc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 1251723663 AQAXSRUKEAZXTC-UHFFFAOYSA-N 439.991 4.041 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCN(C(C)(C)C)CC2)sc(C)c1-c1ccccc1 1324155981 LRDNKQWKMFQLJW-UHFFFAOYSA-N 443.613 4.255 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4ccc(Br)cc4)CC3)CC2)cc1 110352736 WULGSKFABBNPNH-UHFFFAOYSA-N 429.358 4.275 10 20 IICD Cn1ccnc1C(=O)c1ccc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c([N+](=O)[O-])c1 301372579 UNTTULAPYDBZOG-MRXNPFEDSA-N 439.447 4.033 10 20 IICD CN(C)C(=O)Cc1nc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cs1 303012342 JWHVMBQFEMXTJQ-UHFFFAOYSA-N 440.516 4.492 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc21 303199754 NYSDOPCHGGOBAV-LJQANCHMSA-N 443.588 4.281 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4ccc(S(=O)(=O)C(C)(C)C)nc4)CC3)c2c1 433720059 WKYRHTCUWAIZMK-UHFFFAOYSA-N 425.554 4.437 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 522026726 IHYLUSAKQWVTAE-UHFFFAOYSA-N 444.535 4.156 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726097402 KCCFKVNZBJOWMQ-ICSRJNTNSA-N 430.593 4.122 10 20 IICD C[C@@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)c1ccc(N2CCOCC2)cc1 726246754 QEPOIZUVOBDYGY-LJQANCHMSA-N 438.572 4.190 10 20 IICD Cc1cccc(C2(CNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CCCC2)c1 727033110 QTAGLDSLONOXRB-QFIPXVFZSA-N 448.611 4.008 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ccc2I)c1 728978186 NALBPLHYYJRRNS-VIFPVBQESA-N 431.657 4.150 10 20 IICD COC1CCN(C2(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCCC2)CC1 730816865 BEJLCNKOZQZNDK-UHFFFAOYSA-N 430.593 4.098 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1ccc(OC(C)C)cc1 731342870 DMVSQIMVWWHSMQ-UHFFFAOYSA-N 433.556 4.283 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1F 731363583 FYKAGIHIFUXIDO-LJQANCHMSA-N 443.441 4.103 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1F 731363974 QYZHEIQEPSGCDP-QHCPKHFHSA-N 431.527 4.466 10 20 IICD Cc1ccc(CNC(=O)c2nnc(CN(Cc3ccccc3O)C3CCCC3)s2)cc1 731848321 VRIUAGNAUZHWMG-UHFFFAOYSA-N 436.581 4.427 10 20 IICD O=C(NCCc1ccc(F)cc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 732676033 AVNKYJWPYPKHDF-UHFFFAOYSA-N 425.426 4.077 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]c(-c4ccc(OC)c(OC)c4)n3)c2C)cc1 733731089 HHKDIXWINOFALG-UHFFFAOYSA-N 447.495 4.157 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)Cc2cnn(CC)c2)sc(C)c1-c1ccccc1 733796396 RQICXFLAUJBUPP-UHFFFAOYSA-N 440.569 4.187 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 733846113 MJDOKTCTGZVJIY-LJQANCHMSA-N 443.551 4.495 10 20 IICD COc1ccc(O)c(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 734015720 ZDGFOLGCHIAVIJ-OAQYLSRUSA-N 438.911 4.232 10 20 IICD COCC[S@](=O)Cc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 735179761 STGJZEUPNHFPHL-HKBQPEDESA-N 443.613 4.236 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4c(cnn4C(C)C)c3)cc2F)CC1 735375660 JXYPZVQCBCYECD-UHFFFAOYSA-N 438.551 4.220 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccnc(-n3cncn3)c2)c(C)n1-c1ccc(C(C)C)cc1 738629287 UJUJOFJUPZOZSL-UHFFFAOYSA-N 443.507 4.233 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)CC1 739768351 PTGBNBJQIBQBEL-UHFFFAOYSA-N 427.595 4.119 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 741732715 IVVKDTKCNLXCEL-VWLOTQADSA-N 433.527 4.474 10 20 IICD CS[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 742742115 RILRYWIBSOMTJN-ZBDODSLASA-N 426.654 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(S(=O)(=O)CC)cc1 743086204 WYLDZJPZAOQVGH-UHFFFAOYSA-N 441.347 4.002 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(C4CCCCC4)CC3)cc2F)C[C@H](C)O1 747495386 MOUFPWRZHRYDFC-OALUTQOASA-N 446.611 4.036 10 20 IICD CC(=O)c1cc(F)cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c1O 748050444 BIVRDTHOOVSYQJ-UHFFFAOYSA-N 436.483 4.422 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3ccnc3S)cc2)cc1 751404570 HMFWCCOGOQMKBH-QFIPXVFZSA-N 436.581 4.048 10 20 IICD CO[C@]1(C)CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 752843569 JTIBILXLYHTTKR-QFQXNSOFSA-N 449.599 4.394 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCC2(c3ccc(Br)cc3)CCOCC2)c1 756527473 SOLJWCPMAQAOEY-HNNXBMFYSA-N 448.357 4.340 10 20 IICD FC(F)(F)Oc1ccc(Cn2nccc2NCc2ccc(N3CCOCC3)cc2)cc1 758589832 JVAATCJDMWBZFA-UHFFFAOYSA-N 432.446 4.279 10 20 IICD COc1cc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc(OC)c1OC 759222103 GRZYFVJOJUZQIT-UHFFFAOYSA-N 448.519 4.467 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 761973487 QOQOIJYBTDDXEJ-YJYMSZOUSA-N 434.920 4.497 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 765683644 JWJAGRIYGRDJQV-IRXDYDNUSA-N 431.374 4.342 10 20 IICD O=C(CCc1cc(Br)ccc1F)NCc1cccc(Br)c1O 765728361 ITFYSBQKAHLYIQ-UHFFFAOYSA-N 431.099 4.305 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 769011219 ZMLAEUYYBLBUDX-UHFFFAOYSA-N 428.465 4.047 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 769532764 SLDFJLYOEJXXNW-FZKQIMNGSA-N 425.451 4.083 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)CC1 770154901 RWKQRZDYUWGIPF-UHFFFAOYSA-N 434.565 4.395 10 20 IICD C[C@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(N(C)C)cc1 773616850 AIILJDUKONNLEO-IBGZPJMESA-N 447.583 4.432 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1ccc(N(C)C)cc1 773855695 GQFVJCSGQCLTOF-KRWDZBQOSA-N 429.520 4.170 10 20 IICD C[C@@H](NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)cc(F)c1O 774397219 RKEWISDGRYEASL-KOLCDFICSA-N 436.243 4.213 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1O 775563418 YDYWDFJRWFKATO-CYBMUJFWSA-N 437.418 4.275 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 775628682 SPKROODRYGSMKS-OALUTQOASA-N 425.520 4.292 10 20 IICD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896051 LQEDVHUDPQMQSG-UHFFFAOYSA-N 442.487 4.008 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)n1-c1ccccn1 794023789 JMQBUVLJIBMPGU-JOCHJYFZSA-N 446.551 4.268 10 20 IICD COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C 798027370 NJWMWEBGBISOKU-HUUCEWRRSA-N 444.507 4.248 10 20 IICD COc1cc(Cl)cc(CNc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1O 798277033 UTDDABPBERYPAN-MRXNPFEDSA-N 433.936 4.443 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nc2c(s1)CCCCCC2 799433862 CICXHCJZOWJCTI-UHFFFAOYSA-N 432.565 4.224 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C[C@H](NC(N)=O)c3cccs3)cc2Cl)C1 800344076 MMMYZVHNNNFNSK-YOEHRIQHSA-N 434.993 4.054 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(-c2cnc3ccccc3n2)c1 806370095 NYGVNKYKSZSCSP-UHFFFAOYSA-N 429.267 4.150 10 20 IICD Cc1csc(Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1 810167910 QYYKQIRTMCMBEI-UHFFFAOYSA-N 426.517 4.101 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 916691134 INQMIYKFXFAVST-UHFFFAOYSA-N 444.988 4.107 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]1c1cccc(Br)c1 917070743 YBMMTHPKRBJVHH-OAQYLSRUSA-N 430.390 4.311 10 20 IICD O=C(CCOc1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 917365120 VJDFLYUKJNHYLM-LJQANCHMSA-N 434.330 4.131 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(Br)c3)cc2F)C[C@H](C)O1 917709963 LAQRLVKOBOMPOS-HOTGVXAUSA-N 449.364 4.451 10 20 IICD O=C(NCCCCOc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 918199754 CLXBCTVKDCFKAL-UHFFFAOYSA-N 445.991 4.207 10 20 IICD CCOC(=O)CSc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)s1 918681239 DVJJCDFQNCCVTF-UHFFFAOYSA-N 430.555 4.162 10 20 IICD O=C(CCSc1ccccc1Br)NCc1ccc(N2CCOCC2)cc1 919860308 SCDWNIFAEZIYOI-UHFFFAOYSA-N 435.387 4.084 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)CC2)cc1 1320090028 PPYYUBKDIJUKNO-UHFFFAOYSA-N 444.457 4.252 10 20 IICD Cc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(-n4c(C)ccc4C)cc3)o2)cc1 1322389619 VECMALXWFKALCP-UHFFFAOYSA-N 436.537 4.273 10 20 IICD CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCCSc3nccs3)cc2C1 1343182873 ZDFCQXVGINNMOE-UHFFFAOYSA-N 433.599 4.349 10 20 IICD Cc1cccc(Nc2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)s2)c1 18478757 ZIPIOOAXAVIXLU-UHFFFAOYSA-N 427.599 4.407 10 20 IICD COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1 110147002 RQYCCUFWDJOMMI-JOCHJYFZSA-N 448.567 4.077 10 20 IICD O=C(Nc1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1)C1=S=CC=C1 433670217 PZSJJFPRECWHQI-UHFFFAOYSA-N 430.489 4.082 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472769558 BAPZMTLXNLOFEP-UHFFFAOYSA-N 428.330 4.121 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)n(C)c2ccccc12 551125778 POMNBEUBHUISHW-SFHVURJKSA-N 435.568 4.028 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC)c(OC(F)F)c3)CC2)cc1 726714865 AFURBUYCXPYEOS-UHFFFAOYSA-N 449.498 4.116 10 20 IICD CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)N1CCc2sccc2C1 727110355 KSLSOYUJQLURGI-HXUWFJFHSA-N 436.581 4.034 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 727157662 OIVNXMWXTNXHBK-JOCHJYFZSA-N 439.556 4.046 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3ccccc3SC(F)(F)F)CC2)cc1 728153052 WAALYSAHUQWSCM-UHFFFAOYSA-N 425.476 4.068 10 20 IICD Cc1cc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c(C)n1-c1ccccn1 729368258 XYFNHXVZTAODFD-UHFFFAOYSA-N 440.507 4.458 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CN(Cc3ccco3)Cc3ccccc3O)cc2)C[C@H](C)O1 731844637 LTTKBYDAZRLPEV-PMACEKPBSA-N 449.551 4.240 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C2CC2)cc1 732955740 PAMRFWKFMJZSKR-UHFFFAOYSA-N 440.341 4.161 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 734692850 DDKROLUTNHLILS-LJQANCHMSA-N 443.547 4.464 10 20 IICD Ic1ccc2ncnc(NCc3ccc(N4CCCC4)cc3)c2c1 735917484 NUHDOTNHJRIJTL-UHFFFAOYSA-N 430.293 4.447 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 741069283 ONPPEVVXWJJWQE-UHFFFAOYSA-N 430.574 4.101 10 20 IICD O=C(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Br)cc1 749299693 XFFXHWZERAZRGN-IBGZPJMESA-N 433.346 4.165 10 20 IICD COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1SC 754534926 BXARZLNNVHUVJX-UHFFFAOYSA-N 448.456 4.353 10 20 IICD COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(Br)c1 754548420 NXIOPYGDWGKKER-UHFFFAOYSA-N 436.261 4.485 10 20 IICD NC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 756125132 UXYQJWAXTHMALO-UHFFFAOYSA-N 448.504 4.475 10 20 IICD C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(Br)cc(Br)c1O 756788532 VYIGXHISOMJJIB-ZYHUDNBSSA-N 435.156 4.254 10 20 IICD C[C@@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cc([N+](=O)[O-])ccc1O 757667750 YFUWGSGWBOLUBI-CQSZACIVSA-N 431.493 4.242 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc(OC)c1OC 759877237 DWSMCWQBFYUILJ-UHFFFAOYSA-N 443.544 4.297 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2ccsc2C1 760805424 RMTSFPBLNQGSGT-RVDMUPIBSA-N 434.633 4.376 10 20 IICD C[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC[C@H]1N1CCN(C)CC1 765356350 ZUSGDWPAHLUOMY-CJFMBICVSA-N 448.615 4.266 10 20 IICD C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 776237803 IRFOQXVGCUFXMG-YADARESESA-N 430.552 4.363 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)cn1C 777695570 RIRXMRIMYVCNHM-UHFFFAOYSA-N 441.534 4.198 10 20 IICD Cc1ccc(Cn2nccc2NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)o1 783484586 FKYHVAPGOHJNBF-GOSISDBHSA-N 443.507 4.148 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 784025130 ZPGDWDBMLBNLME-UHFFFAOYSA-N 426.513 4.033 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(F)c(Cl)c1 791246371 NTABXLPDSIEVMZ-UHFFFAOYSA-N 436.911 4.247 10 20 IICD COC(=O)c1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc(Cl)c1F 792498930 GIHAWRKNFRIQDS-UHFFFAOYSA-N 435.883 4.019 10 20 IICD COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 793110658 OVPKIJVFZRMHBR-QHCPKHFHSA-N 445.523 4.468 10 20 IICD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1O 797188267 FOEFKUHXXDHPLM-UHFFFAOYSA-N 447.940 4.422 10 20 IICD CSc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 800397508 RJPPDPQANWLTOB-OKZBNKHCSA-N 445.604 4.128 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 802609757 KTYBUDXRECZXDF-UHFFFAOYSA-N 440.931 4.307 10 20 IICD CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 802654162 GAYJWWQDDZNXPE-QHCPKHFHSA-N 432.565 4.322 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(Oc2ccccc2F)nc1 804250407 GFQGFHRHKGCJQK-UHFFFAOYSA-N 427.819 4.341 10 20 IICD CCOCCC1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCCC1 807915265 ZDPBUQLJSYOMPV-UHFFFAOYSA-N 430.589 4.157 10 20 IICD C/C(=C\c1ccccc1OC(F)F)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 810133759 PNKURBFWUWWLHC-XMJIKXADSA-N 429.511 4.183 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCO1 812438965 JFSSCUDKPDSLRH-HXUWFJFHSA-N 429.524 4.404 10 20 IICD CC(C)[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 823408737 PVXNYVHBDWKBJN-NRFANRHFSA-N 428.444 4.497 10 20 IICD CCOc1ccc(-c2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 913465532 LEWANVUFFHDAJO-UHFFFAOYSA-N 437.565 4.109 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(-c2nccs2)cc1 916670611 ANIXUWKWDDGJPD-UHFFFAOYSA-N 426.517 4.232 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 916734542 PXRQNASOCOURJN-UHFFFAOYSA-N 433.430 4.175 10 20 IICD CC(=O)NCC1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 917119988 PAWZVWLWFXERAE-QGZVFWFLSA-N 447.526 4.115 10 20 IICD CN(C)c1ccc(CNC(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1 917999795 HDIQPQMRTLRDHY-UHFFFAOYSA-N 446.389 4.063 10 20 IICD CNC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 918009758 SPTWIERHFZETDC-UHFFFAOYSA-N 426.314 4.469 10 20 IICD Cc1cc(CCNC(=O)NCc2nc(Cc3ccccc3)no2)c(C)n1-c1ccccc1 921124869 SQBACHOZTXOCBM-UHFFFAOYSA-N 429.524 4.110 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2ccc(Br)cc2)nn1 1317817219 GFJBSCKGHGQKAJ-UHFFFAOYSA-N 442.361 4.147 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1325344375 CEHKWTBPHBTNTP-UHFFFAOYSA-N 445.262 4.023 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2cccc(Cl)c2)c1 1337862958 PXIHJVUJEFLUIM-QHCPKHFHSA-N 428.960 4.418 10 20 IICD O=C(CC1CCC1)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1792269841 CTFXPDIOGNVVCU-UHFFFAOYSA-N 444.535 4.104 10 20 IICD CN1CCCc2cc(CNC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccc21 109459726 SNEQAIHCFVJQIB-OAQYLSRUSA-N 446.378 4.297 10 20 IICD C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 237333705 ZHYZWQYUODPUKU-KRWDZBQOSA-N 449.517 4.421 10 20 IICD CCOC(=O)C1CCC(N(CC)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 511902621 NHMHVQNXLMTOSN-UHFFFAOYSA-N 428.573 4.489 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3coc(-c4ccc(C)cc4)n3)CC2)cc1 726711695 IBMXMFPLQBGCQB-UHFFFAOYSA-N 434.540 4.123 10 20 IICD Cc1cc(C(=O)COC(=O)C2(C)CCOCC2)c(C)n1-c1ccc(Br)cc1 726839794 VILRIWIPJFYIEO-UHFFFAOYSA-N 434.330 4.399 10 20 IICD CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 728197945 JLXUWFRZOWIHQW-KRWDZBQOSA-N 440.540 4.066 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 728979370 FWWZSIKVCKAFAV-KRWDZBQOSA-N 431.492 4.207 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 729512339 FUZRZHMCQJGEMF-UHFFFAOYSA-N 439.518 4.293 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccc(C)cc3C)cc2F)CC1 730134182 RFJPBDSJJGKXFS-HXUWFJFHSA-N 426.580 4.487 10 20 IICD COC1CCN(C(C)(C)CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 730825055 PLVRMNIHAJCIGE-UHFFFAOYSA-N 430.637 4.144 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F 731403374 IXNWGDGTHKKRMX-SFHVURJKSA-N 428.552 4.069 10 20 IICD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 731855756 AJGCAHZVCMUJLT-UZLBHIALSA-N 446.956 4.056 10 20 IICD Cc1cc(CC(=O)NCC[S@](=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 732097873 LTXTUSAIHNZTJH-LJAQVGFWSA-N 428.985 4.355 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1)C(C)C 735174207 KTCLWCCCDVYHRA-IBGZPJMESA-N 438.572 4.163 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)c1 737183670 LNCCGAWAKVXFDV-JTQLQIEISA-N 444.887 4.227 10 20 IICD Cc1ccoc1C(=O)NCCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 737714815 YCVFKYDCVQVLRQ-UHFFFAOYSA-N 427.932 4.128 10 20 IICD COc1ccc(/C=C\C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742755147 WCHFQEJBASDIIP-FGWWRKRSSA-N 439.556 4.157 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCCO2 742800995 WFOJLJWDWVCHGW-QGZVFWFLSA-N 446.494 4.122 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3sc4cccc(C)c4c3Cl)CC2)cc1 742920750 NCTOTBUULDPTPX-UHFFFAOYSA-N 444.000 4.424 10 20 IICD O=C(c1ccoc1)N1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 745436113 ZYNUAVNGIQLAFB-UHFFFAOYSA-N 425.529 4.134 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](Oc1ccccc1)c1ccccc1 746010271 AZAXDQFOHVLDJF-VWLOTQADSA-N 434.511 4.223 10 20 IICD C[C@H](c1ccccc1Br)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 746213919 CJEFNKWOAFCSLK-MRXNPFEDSA-N 432.362 4.188 10 20 IICD CN1CCCc2cc(CNC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21 746813048 NCXKKCFNHRJEID-OAQYLSRUSA-N 446.378 4.297 10 20 IICD CC(C)OC1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 752681139 KLKSONOPJVBUKC-TVRKMHQQSA-N 425.520 4.292 10 20 IICD Cc1cc(Br)cc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O 752833956 ZXUMZDLFFFSGJH-KRWDZBQOSA-N 436.350 4.467 10 20 IICD Cc1noc(C[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ccccc2)n1 758680527 ULUYSCVJFPFXBP-HSZRJFAPSA-N 433.556 4.398 10 20 IICD COc1cc(N2CCN(C(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc(OC)c1OC 759224846 HNABWXFAYFSRDB-FOWTUZBSSA-N 430.932 4.118 10 20 IICD C[C@H](NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 759732659 UATHQNOXNFOBMH-INIZCTEOSA-N 437.462 4.324 10 20 IICD COC(=O)c1cn(C2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)nn1 759927556 JCQBCGVQHPIZCI-UHFFFAOYSA-N 433.472 4.349 10 20 IICD CCS(=O)(=O)c1cc(F)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 760012762 HMMWBJGVJGTQBZ-UHFFFAOYSA-N 432.473 4.152 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](c1cccc(F)c1)c1ccccn1 766254393 ZZZUTCRMVROLKY-RUZDIDTESA-N 448.542 4.018 10 20 IICD CCCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1nc(O)c2ccc(Cl)cc2n1 768183085 MTFKHDPJWCVZKJ-UHFFFAOYSA-N 444.938 4.377 10 20 IICD CC(C)(C)n1ncc2c(O)nc(NNC(=S)Nc3ccccc3-c3ccccc3)nc21 769796008 VXGNWXHAXMRUEM-UHFFFAOYSA-N 433.541 4.267 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(-n2cnc3ccccc32)nc1 770523456 DKZBNQMDXHSVDB-UHFFFAOYSA-N 431.459 4.383 10 20 IICD O=C(c1cccc(NCc2cc(Br)ccc2O)c1)N1CCCC[C@@H]1CCO 770525330 UNGXWLXGQBUNNA-LJQANCHMSA-N 433.346 4.144 10 20 IICD O=C1/C(=C\c2cccc(Br)c2OC(F)F)NC(=S)N1Cc1ccccc1 776725090 CQOKEHMNUKMJNO-NTEUORMPSA-N 439.281 4.308 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c12 783676238 GXFDDQHJWGAMHR-LJQANCHMSA-N 441.959 4.249 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 783825995 ABPSEPDINYXRJN-UHFFFAOYSA-N 446.941 4.459 10 20 IICD Cc1ccc(Br)cc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 784645045 SCBYJYMTQXEXBI-LJQANCHMSA-N 433.346 4.354 10 20 IICD CC(C)(C)OC(=O)N1CC2(CC(NC3CCN(c4ccc(OC(F)F)cc4)CC3)C2)C1 788586631 DZPQIPYQAZGGHV-UHFFFAOYSA-N 437.531 4.246 10 20 IICD CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc(Br)cc(OC)c2O)n1 792195774 FORBKSMTFHDOQO-AWEZNQCLSA-N 441.347 4.134 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1S(=O)(=O)NC1CC1 792826841 SEKVWJKBMAMANE-UHFFFAOYSA-N 441.528 4.235 10 20 IICD Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc(Cl)c1O 793612995 IGKCNXSIZVYYLU-INIZCTEOSA-N 441.359 4.227 10 20 IICD O=C(NCCCSc1nccs1)C1(c2ccc(I)cc2)CC1 800491144 OACBZWPKYKBSFE-UHFFFAOYSA-N 444.363 4.078 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 802490209 WIORAAHYOSDDJS-HSZRJFAPSA-N 448.615 4.064 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 802549563 QKHHJUPNKZCDSC-JPYJTQIMSA-N 435.572 4.003 10 20 IICD C[C@@H]1CN(Cc2csc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)C[C@@H](C)O1 806155591 SCNWIMQARDRMHG-GHMZBOCLSA-N 445.372 4.086 10 20 IICD O=[N+]([O-])c1cc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1N1CCCCC1 809790442 IJIQTMXCHRTJNR-DEOSSOPVSA-N 427.520 4.151 10 20 IICD Cc1cc(=O)cc(C)n1CCCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 810715050 VAQMIEIWRROYLO-KRWDZBQOSA-N 429.992 4.451 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCn2c(=O)oc3ccccc32)cc1 914454679 MATAJPNYQJPZKS-UHFFFAOYSA-N 433.508 4.263 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 914577068 CIMICXGUJBQFIR-UHFFFAOYSA-N 430.429 4.045 10 20 IICD COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3ccccc3n2)cc1 916617181 DEJWGFBSANBSDU-UHFFFAOYSA-N 429.428 4.361 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCCOc3ccc(F)cc3)cc2F)C[C@H](C)O1 918203470 VBOHXIWLCWNUHV-ROUUACIJSA-N 447.526 4.237 10 20 IICD O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1322109691 GIGXMINRBBUCAI-QGZVFWFLSA-N 442.466 4.056 10 20 IICD COc1ccc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)CC2)cc1 248141813 QOCSANZCAXAJTC-UHFFFAOYSA-N 438.959 4.173 10 20 IICD Cc1cc(C(=O)NCC(=O)N(C)CCc2ccccn2)c(C)n1-c1ccc(C(C)C)cc1 303181896 KVZOGFPDGXQUJK-UHFFFAOYSA-N 432.568 4.043 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCN(CCc4ccccc4)C3)ccc21 487040184 JKGYHKKOSGNXLX-HSZRJFAPSA-N 433.596 4.199 10 20 IICD Oc1c(Br)cccc1CNCc1nnc2c(Cl)cc(C(F)(F)F)cn12 725845137 OCDTUJHBZAVEIG-UHFFFAOYSA-N 435.631 4.159 10 20 IICD O=C(C(=O)N1CC2(CCC2)c2c(F)cccc21)N(Cc1ccco1)Cc1ccccc1O 726287227 AKSVZTNXFWUUAX-UHFFFAOYSA-N 434.467 4.122 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726696112 PUWHKYSCPNUQSS-UHFFFAOYSA-N 438.572 4.404 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 727852077 RSHOOCFUZLLZOH-UHFFFAOYSA-N 430.913 4.119 10 20 IICD O=C1/C(=C\c2cc(Cl)c3c(c2)OCCCO3)SC(=S)N1CCc1cccnc1 727863760 IXXNHUCRQNNFMS-GZTJUZNOSA-N 432.954 4.340 10 20 IICD Cc1cc(C(=O)CSc2n[nH]c(-c3cccnc3)n2)c(C)n1-c1ccc2c(c1)OCCO2 728160987 JHOUPDRZTLLISM-UHFFFAOYSA-N 447.520 4.020 10 20 IICD CC(C)COc1ccc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 730118483 XHNQIISZKJTDGE-UHFFFAOYSA-N 427.614 4.317 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cnn(-c4ccccc4S(C)(=O)=O)c3)c2C)c1 730246507 LIMHFCLWPXGUJB-UHFFFAOYSA-N 448.548 4.244 10 20 IICD C[C@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(N2CCOCC2)cc1 730666960 IICMEFPAZIWOLM-KRWDZBQOSA-N 438.553 4.441 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(I)c1 730743825 IYBJFTREXIPEAQ-UHFFFAOYSA-N 428.339 4.470 10 20 IICD CC(C)N(CC(F)(F)F)C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731034615 JKMKIRSQLQFXCQ-UHFFFAOYSA-N 443.510 4.263 10 20 IICD CCC1=S=C(/C=C(\Cl)c2nc(O)c3c(C)c(C(=O)OCCOC)sc3n2)C=C1 731156272 CPDJYYOYJICTPW-LCYFTJDESA-N 438.958 4.146 10 20 IICD Cc1cc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c(C)n1-c1cccc(C(C)C)c1 732105730 CYDFKUIBNYAUGH-UHFFFAOYSA-N 436.644 4.317 10 20 IICD CCOc1c(Br)cc(C(=O)NCCCSc2nccs2)cc1OC 733880467 KMYYEIXDDJCFGD-UHFFFAOYSA-N 431.377 4.225 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 737779568 IHRUTCLUJZYJTN-DEOSSOPVSA-N 431.536 4.379 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCC3(c4cccc(F)c4)CC3)cc2F)C[C@@H](C)O1 740030797 JESGUYOYURTIQS-CALCHBBNSA-N 429.511 4.109 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ncc(-c2ccccc2)o1 740062714 QOAMZCFVNNQTCY-GOSISDBHSA-N 434.540 4.111 10 20 IICD CS[C@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 740360627 LMZWTHGXGICWGX-DEOSSOPVSA-N 445.496 4.048 10 20 IICD CCc1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742750021 LJMQCLFEDNCFNT-JOCHJYFZSA-N 425.573 4.240 10 20 IICD COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 743581390 VPKUSZGNHDHIEU-QGZVFWFLSA-N 429.948 4.011 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 745586769 TVBRGRBKHQMMBJ-FQEVSTJZSA-N 446.389 4.351 10 20 IICD COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1 749007897 NXHDNHTYPYHSQT-UHFFFAOYSA-N 438.552 4.084 10 20 IICD COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(C)cc1 749727945 LGKTVZKHDAATQH-QFIPXVFZSA-N 444.491 4.422 10 20 IICD C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 754160099 QIUYEJPEENDOMA-GOSISDBHSA-N 427.568 4.021 10 20 IICD Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(Br)cc1 754757271 WWEFELTYRXCJAD-HNNXBMFYSA-N 431.330 4.024 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F 755201283 FTCVKRSTLXPZPY-OXJNMPFZSA-N 429.492 4.111 10 20 IICD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 755745185 YTOFVPPVJIDYCG-SNHGZMDHSA-N 429.480 4.031 10 20 IICD C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)cc(Cl)c1O 756454260 BVBFUQWHUTXLSC-GFCCVEGCSA-N 432.767 4.074 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 757728632 HMRSXGXBUROVOV-HSZRJFAPSA-N 425.573 4.351 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1 758416745 QZYKZTCELMQDCK-FHNWIRHTSA-N 429.519 4.041 10 20 IICD COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Br 765285791 HGTFNZAPJRWJNH-CQSZACIVSA-N 437.353 4.409 10 20 IICD CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccc(F)cc2O1 765977068 PSHYXKJFMOUQJJ-QFIPXVFZSA-N 441.547 4.136 10 20 IICD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1-c1ncco1 766341581 BJBJZVZRVVMRCD-UHFFFAOYSA-N 432.524 4.237 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2cccc(Cl)c2)C1 767304729 LKOKPIAIDKZSGD-NRFANRHFSA-N 431.989 4.176 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)ccc21 767671325 LGAMFMBORJNLGV-UHFFFAOYSA-N 443.550 4.464 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3cc(O)ccc3Br)SC2=S)c1 769778438 XKXYBOICRLZTKS-RIYZIHGNSA-N 436.308 4.259 10 20 IICD COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)OC(C)C 770358071 JGCLOMYZKLJKAY-CYFREDJKSA-N 441.572 4.058 10 20 IICD O=C1/C(=C/c2ccc3ccc(Br)cc3n2)SC(=S)N1Cc1ccon1 771512804 FGDVZHXQDXAYJG-NVNXTCNLSA-N 432.324 4.387 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 775136692 FWLSSPQRPONKKD-AMIZOPFISA-N 447.089 4.052 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@H](C)c3cc(OC)ccc3O)[C@@H](c3ccco3)C2)cc1 775370489 VQDLTUTXGHWWCW-OPAMFIHVSA-N 449.507 4.031 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 775370551 WAMIYPIFDVRVSI-ROUUACIJSA-N 447.535 4.181 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)cc1F 775540351 VBZZNEIZRIFKJM-UHFFFAOYSA-N 433.505 4.205 10 20 IICD COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 775810876 MJSGSAKAMJXNKD-UHFFFAOYSA-N 429.586 4.208 10 20 IICD O=C1/C(=C/c2cccc(Br)c2OC(F)F)NC(=S)N1Cc1ccccc1 776725092 CQOKEHMNUKMJNO-ZROIWOOFSA-N 439.281 4.308 10 20 IICD CCOC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(Br)c1 779178429 OTBYKMUZXAIQBJ-IBGZPJMESA-N 439.325 4.057 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2-c2ccc(C)s2)cc1F 782556509 SXZZTHRPDSPINI-UHFFFAOYSA-N 440.544 4.359 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(CCC)Cc2ccccc2O)c1 784024817 UTDUECSADLVLOS-UHFFFAOYSA-N 431.920 4.162 10 20 IICD COC(=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1 791045573 MYWJZWORDFGWDM-UHFFFAOYSA-N 442.313 4.219 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C(=O)Nc2ccccc2)c1 796545724 LKRJFDKFPSIXDF-UHFFFAOYSA-N 443.547 4.078 10 20 IICD CC(=O)N1C[C@H](C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)Oc2ccccc21 800048564 FGJPORAYJAVPIB-QMHKHESXSA-N 441.959 4.007 10 20 IICD C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc2Cl)C1 800148905 SOWXQRUXLIWZTH-OAHLLOKOSA-N 437.949 4.104 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 802610154 RYWSBJCLKZOADI-UHFFFAOYSA-N 442.409 4.240 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@]2(CCOC2)C1 802634262 ZBXZERQZZHESPC-SANMLTNESA-N 449.599 4.396 10 20 IICD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCCCSc1nccs1 806275889 YRVHLAOHDDNYEB-UONOGXRCSA-N 426.007 4.046 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCC(F)(F)C3)cc2Cl)C1 807953537 UZDRKWAJKMWFIR-DOTOQJQBSA-N 441.950 4.134 10 20 IICD CN1CCN(CC2(C)CCN(Cc3ccc4c(c3)CCN4Cc3ccccc3)CC2)CC1 809639405 KVUVBVSIZOFVBB-UHFFFAOYSA-N 432.656 4.099 10 20 IICD O=c1c(Cl)c(NCCc2ccc(O)c(O)c2)cnn1-c1ccc(Cl)cc1Cl 811810789 CFQIPGTWQBKOEI-UHFFFAOYSA-N 426.687 4.259 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC12CCC2 813654293 MKTFXDDXKMWZIZ-HXUWFJFHSA-N 440.588 4.184 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c([N+](=O)[O-])c1 817976986 YLTUQXWWCNIBAJ-UHFFFAOYSA-N 439.902 4.490 10 20 IICD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(N2CCCCC2)cc1 844263309 REXSQKFADXZFGZ-UHFFFAOYSA-N 426.517 4.054 10 20 IICD Cc1ccn2c(=O)c(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cnc2c1 915547496 PEBANIJXBOWBDJ-UHFFFAOYSA-N 441.447 4.214 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc(-c3ccco3)cs1)c2[N+](=O)[O-] 916056345 FXHKZVVZWKQHDH-UHFFFAOYSA-N 445.412 4.339 10 20 IICD C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1)c1ccccc1 917709523 ZWUAXTQBMFEKAK-GOSISDBHSA-N 435.499 4.127 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)s1 917859679 VFXSWUBGKFTDOU-UHFFFAOYSA-N 437.543 4.259 10 20 IICD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2[N+](=O)[O-])C1 918374598 PEFZETAERQRJMF-QZTJIDSGSA-N 438.528 4.166 10 20 IICD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919969759 FWURFFKEWLNMOL-OAHLLOKOSA-N 437.367 4.286 10 20 IICD Cc1ccccc1C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCOCC1 920026442 YUUKPHWUTMUBHL-BGYRXZFFSA-N 440.559 4.112 10 20 IICD C[C@H](NC(=O)N[C@H](C)Cc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 920866678 JQXNMFYRUOBXEO-SJORKVTESA-N 446.389 4.277 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1c(F)cccc1Br 1201019135 NKRUAFKZLMHUKQ-UHFFFAOYSA-N 427.339 4.057 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(c2nc3ccccc3o2)CC1 1317894221 GOAAMFLWLLVMAR-UHFFFAOYSA-N 436.581 4.470 10 20 IICD C[C@@H]1CCCN(C(=O)CCN[C@H](C)c2cc(Br)cc(Br)c2O)C1 1320134293 VNTPIASBUCJWGA-VXGBXAGGSA-N 448.199 4.216 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(Br)c(Br)[nH]2)C2CC2)cc1 1335344692 DMOZIHIWCHBCAV-UHFFFAOYSA-N 441.167 4.411 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1oc2ccccc2c1CS(C)(=O)=O 110365388 YAQBOUDVGPMSFD-UHFFFAOYSA-N 440.565 4.240 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)ccc21 486656245 VXHBPMTUTHKVEV-RUZDIDTESA-N 445.563 4.493 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 727606008 LZQOVKZGZYJTLW-UHFFFAOYSA-N 430.593 4.218 10 20 IICD COc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 727841845 JHFOGQJTFLKXIM-HMFYCAOWSA-N 441.547 4.495 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1 729535914 WLSIAVHDJUCAKR-QGZVFWFLSA-N 431.492 4.427 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)nc1-c1cccc([N+](=O)[O-])c1 730073231 KPUSERYWJNOOKE-LLVKDONJSA-N 431.495 4.151 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c1O 737286372 XEPUNOOMYZXNDR-UHFFFAOYSA-N 442.924 4.460 10 20 IICD CN(C)CC1CCN(c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)CC1 737458813 DBDQUJRHVVHFLV-UHFFFAOYSA-N 439.673 4.278 10 20 IICD O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 738461084 UODRSDWBAOCBLO-HXUWFJFHSA-N 441.572 4.183 10 20 IICD C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742597130 NLGJZSWTFXQYEQ-KKSFZXQISA-N 429.536 4.410 10 20 IICD CCOc1ccccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752151 ZDVZBAZZGBBNRK-HXUWFJFHSA-N 427.545 4.147 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(c2cccc(F)c2)CCOCC1 742797507 DRWQFUFPABGMCY-LJQANCHMSA-N 448.485 4.261 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCC1CC=CC1 750379073 DUORYHZAXKDJFT-OQLLNIDSSA-N 438.368 4.160 10 20 IICD Cc1noc(C)c1[C@@H](C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 752294630 ZSHYQHYRJKPFDM-SEJMYLSOSA-N 449.623 4.254 10 20 IICD COC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCCCO2)C1 752842266 ARQUBVDLTGLDSU-FYYLOGMGSA-N 449.599 4.394 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756535749 OXOVEQFIIIKNPK-QWRGUYRKSA-N 447.782 4.128 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2cc(Br)cc(F)c2O)N(C)C)cc1OC 756666060 ZKSDUYDQFVYQQH-PXAZEXFGSA-N 441.341 4.265 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 763056402 CINRKXIDNZSWDP-NJYVYQBISA-N 431.627 4.437 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 765319922 CRCAAGKQAYNZCN-XQBPLPMBSA-N 445.510 4.476 10 20 IICD Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769310326 AQMZCIJBYNHGJX-GOTSBHOMSA-N 429.992 4.245 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1C1CCCCC1 769714024 RUCVOWRNNSCPGU-SFHVURJKSA-N 434.583 4.439 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 772153651 YTLFRBDBSRPMLD-IEBWSBKVSA-N 428.558 4.254 10 20 IICD O=C(N[C@H](c1ccccc1)c1ccccn1)C(=O)N(Cc1ccccc1O)C1CCCCC1 775075774 RBFHZDKXXREGCU-RUZDIDTESA-N 443.547 4.354 10 20 IICD CCOc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(=O)N1CCCCC1 775363885 NCKLTMYAXPKKRM-HXUWFJFHSA-N 439.600 4.393 10 20 IICD COc1cccc(CNC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1O 775998883 WNAHEHYJTXZWFJ-HXUWFJFHSA-N 448.445 4.306 10 20 IICD CCN(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1cc(Br)ccc1O 780292111 MWXXVZDIMGATIA-UHFFFAOYSA-N 447.358 4.281 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)c2)CC1 781029746 BXNJCLZQPNLWDA-UHFFFAOYSA-N 429.520 4.017 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(Cc2ccc(F)cc2)CC1 782315922 MIDVCWQZWMTOJB-UHFFFAOYSA-N 436.449 4.320 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F 783317093 UFOCTYFJYBKIHS-UHFFFAOYSA-N 433.499 4.194 10 20 IICD C[C@@H](NC(=S)Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 783731180 CZGGRLRZIABGKV-CQSZACIVSA-N 425.476 4.469 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 784026769 IIHISJGYHABYHZ-UHFFFAOYSA-N 446.503 4.127 10 20 IICD O=C(NCc1ccccc1OC1CCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 787209613 QYGDCOBIWQLPJD-UHFFFAOYSA-N 448.519 4.152 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 790415458 GAPRWDGHBDZTLU-UHFFFAOYSA-N 440.237 4.417 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCOCc2ccccc21 791876233 YAIHIWCWWULQDL-AQTBWJFISA-N 444.603 4.293 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)sc2C)cc1 799635953 DDTGWFYSHBSKLY-UHFFFAOYSA-N 445.566 4.020 10 20 IICD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3ccc(N4CCCCC4)cc3)cc21 800311474 NPPHYHYPGLJVCN-UHFFFAOYSA-N 433.600 4.470 10 20 IICD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 802208263 WQYIGQXWGLKCSX-KRWDZBQOSA-N 448.470 4.049 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 802550413 ZBPCZVSWGJQAOH-UHFFFAOYSA-N 434.515 4.249 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 806271850 PDDJCTVDOPLNEW-UHFFFAOYSA-N 432.329 4.172 10 20 IICD CCOc1ccc(NCc2cc(Cl)cc(F)c2O)cc1S(=O)(=O)N(CC)CC 809682191 GMLZOIOSZPXLQZ-UHFFFAOYSA-N 430.929 4.226 10 20 IICD CC(C)OCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1 811914765 SCNSDHCNTBMCHH-JKSUJKDBSA-N 449.983 4.445 10 20 IICD CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCc2cncn2C)cc1 813256649 IMLJFXKVMQPSJC-XMHGGMMESA-N 437.547 4.451 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 813481718 YRNBXUWROWSZHP-SFHVURJKSA-N 446.345 4.200 10 20 IICD Cc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c(C)n1-c1ccccc1Br 814650060 JSMRXUSLQZGZIR-UHFFFAOYSA-N 437.301 4.289 10 20 IICD O=S(=O)(CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccccc1 828604608 VKYLYVIIOJHBBC-LJQANCHMSA-N 428.579 4.295 10 20 IICD COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 831376013 QSQJTWINMFKGMQ-UHFFFAOYSA-N 446.463 4.022 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3OC)n2)c1 844253366 HRZNXIVRJJMSJW-UHFFFAOYSA-N 440.930 4.290 10 20 IICD O=C(CCc1c[nH]c2ccccc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456832 UUZLZOKDUVFFJA-UHFFFAOYSA-N 431.458 4.272 10 20 IICD Cc1ccc(CNC(=O)c2cccc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc1 916512491 DIPKICDBKSGKGK-UHFFFAOYSA-N 444.579 4.333 10 20 IICD Cc1nc(-c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)cs1 916673234 KLCOBFJYKCZYEG-UHFFFAOYSA-N 426.517 4.416 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 916680107 DNHOHOLOLKABQD-UHFFFAOYSA-N 438.572 4.120 10 20 IICD CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cc1 918198645 FXIRWBLFUKJISZ-LGMDPLHJSA-N 435.617 4.084 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 918311609 WHTQOLJDWZPRGD-UHFFFAOYSA-N 429.948 4.244 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920921350 CBOHHELJYIETHV-PGRDOPGGSA-N 443.975 4.491 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 110012786 OXPNIGKDPNVSQH-DEOSSOPVSA-N 443.547 4.067 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c12 302967496 QECHWMWVSNVITC-HXUWFJFHSA-N 434.540 4.296 10 20 IICD CSc1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 303827147 KYHYHAJVLVKSKM-XMSQKQJNSA-N 428.598 4.450 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 726288195 CGARPXURIIGNIJ-UHFFFAOYSA-N 442.991 4.384 10 20 IICD CC(C)(C)c1ccc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 726626773 LFBAQTDJFXWMOX-LDADJPATSA-N 446.619 4.033 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(Cl)c(C)c(Cl)c3)CC2)cc1 726728347 QXYPSZNSTCZQBJ-UHFFFAOYSA-N 436.339 4.034 10 20 IICD O=C1Nc2ccc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)c3cccc1c23 727244877 KNQPMEDBBUOEPZ-UHFFFAOYSA-N 425.466 4.469 10 20 IICD CC(C)(C)OC(=O)N1CCC(CCNCc2ccc(N3CCC(CO)CC3)cc2)CC1 727469083 RBVDVMLCUUPPDP-UHFFFAOYSA-N 431.621 4.022 10 20 IICD COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Br)s2)cs1 731077665 CAEZQCLTVCMMQL-UHFFFAOYSA-N 431.358 4.444 10 20 IICD Cc1ccccc1-n1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 732644107 GXPHIJJPPHJTBX-UHFFFAOYSA-N 426.467 4.181 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C\c2cnc(C)s2)cc1 732766326 HBJHXDCWJWRZEF-SEYXRHQNSA-N 435.549 4.109 10 20 IICD O=C1CC[C@]2(C(=O)NCCCSc3nccs3)Sc3ccc(Cl)cc3N12 733973252 XARVJPWNYXMFHX-QGZVFWFLSA-N 425.988 4.024 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 741923445 TUBHAYPVPTXWDV-UHFFFAOYSA-N 434.437 4.211 10 20 IICD CN(c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1)C1CCCCC1 742058065 ZLGRFMLQYWHBDF-QFIPXVFZSA-N 434.584 4.019 10 20 IICD CCOc1ccc(CN[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c(O)c1 742391277 FZURQTINTRJDOS-DEOSSOPVSA-N 441.549 4.082 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCCNC2=O)c1 743219641 FKJOXRFQYGZZNM-UHFFFAOYSA-N 447.333 4.128 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)cc1)C1CCCCC1 743413545 GXJZCCUMOURXTB-UHFFFAOYSA-N 449.580 4.229 10 20 IICD CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 743721876 AWJUKNOJMBOUKW-JOCHJYFZSA-N 438.572 4.154 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3sccc3-c3ccc(F)cc3)CC2)cc1 743929078 UISGDWQIGLKDGK-UHFFFAOYSA-N 439.556 4.115 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c(C)n1-c1cccc(Br)c1 746626257 QRXFABNMEYXPAH-KRWDZBQOSA-N 441.373 4.295 10 20 IICD Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 747976590 DBLIGMRBSXNCNP-LJQANCHMSA-N 440.613 4.268 10 20 IICD CN(c1ccc(CNC(=O)NCc2nc(Cc3ccccc3)no2)cc1)C1CCCCC1 750322612 JOHIPDXMHHZGGJ-UHFFFAOYSA-N 433.556 4.429 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@H]1CCCC[C@H]1C 751945518 RCAZADCZVICMKE-YWMUFLPLSA-N 429.586 4.192 10 20 IICD CCc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1CCC(C)C 756448948 VQHGUAPXTOVION-UHFFFAOYSA-N 434.531 4.492 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C 757905037 PNNZNQZYPJRWDH-CALCHBBNSA-N 431.556 4.176 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccn(-c3ncccc3F)n2)cc1 760082482 UDHQUIYBKXJAMB-UHFFFAOYSA-N 434.475 4.300 10 20 IICD O=C(c1cc(Br)c(F)cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 760474440 KGWZSSXNPVBTEW-CYBMUJFWSA-N 426.257 4.254 10 20 IICD Cc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c(F)c1 763314304 WBDIVABIRMBLJN-UHFFFAOYSA-N 431.470 4.419 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccc(Br)c3O)C2)cc1 769206487 MLUBWKKQIHMMHY-MRXNPFEDSA-N 432.362 4.497 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C1(c2ccc(Br)cc2)CCOCC1 769563108 XDLIVGFVVHPLSM-UHFFFAOYSA-N 444.369 4.398 10 20 IICD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 770755737 HOTAGAIWOULBCL-DSFVOBFGSA-N 447.526 4.154 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(Cc2cccnc2)CC1 771420458 HRCLYMLZPREOAP-FQEVSTJZSA-N 444.526 4.316 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3cscc3Cl)SC2=S)c1 771852097 YOHZPCORXZMXMR-MKMNVTDBSA-N 445.012 4.058 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cnn1-c1ccccc1F 772441255 GIDWTARYTLVSMB-UHFFFAOYSA-N 425.533 4.195 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 776196178 MKLKVCNAVDORRO-DEOSSOPVSA-N 435.547 4.481 10 20 IICD Oc1ccc2oc3c(c2c1CN1CCN(c2nnc(C(F)(F)F)s2)CC1)CCCC3 776773999 DISNNHNRQDMDEE-UHFFFAOYSA-N 438.475 4.210 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(Br)c4cccnc34)SC2=S)CC1 777874565 FJYONCOUFBQGBD-WJDWOHSUSA-N 448.411 4.293 10 20 IICD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 779525594 LUOCBHGRSXPGDX-RIYZIHGNSA-N 439.489 4.336 10 20 IICD COc1c(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cccc1C(N)=O 782842377 PLALNFGHYAZEOH-UHFFFAOYSA-N 442.313 4.216 10 20 IICD Cc1ccc(Br)cc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 784070791 LVBVEZPSGSUQSQ-UHFFFAOYSA-N 434.403 4.310 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1N1CCNC1=O 786387287 ZYVRGTAJENOGCF-UHFFFAOYSA-N 447.539 4.418 10 20 IICD O=C1/C(=C/c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1CCc1ccccn1 790589763 FAJJQZBTCUMWFM-PDGQHHTCSA-N 440.981 4.424 10 20 IICD COCCCC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccccc1 792287568 RHQATSOQPOJMGU-QFIPXVFZSA-N 429.536 4.224 10 20 IICD CS(=O)(=O)CCOc1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796331718 NCQAXAZRECENGT-UHFFFAOYSA-N 436.577 4.285 10 20 IICD Cc1ccc(NCc2cccc(Br)c2O)cc1S(=O)(=O)NC(C)(C)C 796436362 WOJURUDATDVBJH-UHFFFAOYSA-N 427.364 4.152 10 20 IICD CN(Cc1cnn(C)c1)C(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1Cl 799967125 GGKPNWGGNUHPHO-UHFFFAOYSA-N 431.323 4.028 10 20 IICD C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)c(F)cc1O 800993369 KFRQKPJZFZWWNI-HOCLYGCPSA-N 435.337 4.178 10 20 IICD C[C@H]1C[C@H](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H](C)O1 801785862 AJLZEVJRBVHAAR-MHORFTMASA-N 425.520 4.150 10 20 IICD O=C(Nc1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 802500506 SDQJMRBQPRYKSK-FQEVSTJZSA-N 434.496 4.003 10 20 IICD CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N 802657574 JGNRSMBESMMJFT-CQSZACIVSA-N 429.567 4.250 10 20 IICD CC1(C)CC[C@@H](COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)O1 803273560 YEBYTWUYMQFCOI-WZMONFQBSA-N 425.597 4.230 10 20 IICD C[C@@H](NC(=O)NCc1ccncc1OCc1ccccc1)c1ccc(N2CCOCC2)cc1 804989567 OSJQISURGFFVAA-HXUWFJFHSA-N 446.551 4.058 10 20 IICD CN(c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1)C1CCCCC1 806616046 ZNKUHHSKVVKFJM-YLJYHZDGSA-N 427.511 4.158 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1N1CCCCCC1 807510908 AALYZYDGLAEWLL-UHFFFAOYSA-N 436.339 4.334 10 20 IICD C[C@H](NCCc1cnc(SC2CCCC2)nc1)c1ccc(N2CCOCC2)c(F)c1 815656900 JHNYZTRVPDJNRW-KRWDZBQOSA-N 430.593 4.380 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 816820348 JRTFSGZQDABNGF-LJTKGQTQSA-N 443.547 4.199 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 820006444 XXHZOEDQVWCETR-SFHVURJKSA-N 440.507 4.279 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)c(C)n1-c1ccc(Br)cc1 914544739 DDPCMXCIOLUEIZ-INIZCTEOSA-N 431.330 4.031 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2cccc(Cl)c2)C(C)C)c1 917462975 SPYMLGYQYLTLSO-UHFFFAOYSA-N 430.976 4.491 10 20 IICD Cc1cccc(-n2ncc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2C)c1 917715364 PTFPXGWJSWQCBN-QZTJIDSGSA-N 436.531 4.172 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(Cc4ccccc4)c3)cc2F)C[C@H](C)O1 918080441 CUDQQPFBXSIUPW-ROUUACIJSA-N 437.519 4.006 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(OCCOc2ccccc2)nc1 918208844 HFMKTAZCMTZEDQ-UHFFFAOYSA-N 446.551 4.139 10 20 IICD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)c(OC)c1 919568516 FTDKBVZGLUSUTP-HNNXBMFYSA-N 428.510 4.357 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 921239723 YBXABLFSZIDMFT-MRXNPFEDSA-N 433.936 4.085 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)C(C)C)[C@H]2c2cccnc2)cc1 1806265107 HSLCBJUDIIIJSZ-ILBGXUMGSA-N 444.579 4.465 10 20 IICD Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 10963172 PXBKEKFQFHKRDL-UHFFFAOYSA-N 435.597 4.191 10 20 IICD C=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 97012188 OCSQAXXKEZUYPZ-UHFFFAOYSA-N 441.531 4.421 10 20 IICD O=C(NCCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)cc1 253614583 RCHQOOXGIIWLPC-UHFFFAOYSA-N 426.900 4.378 10 20 IICD Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)c1 303170410 IQXUNEDIGHZZLR-UHFFFAOYSA-N 440.547 4.263 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 437019424 ODRUKMYXNNAOND-UHFFFAOYSA-N 431.521 4.101 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3S(=O)(=O)C(C)C)ccc21 590675452 VYNNVKXFWRTKJE-UHFFFAOYSA-N 428.554 4.339 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1 726563221 WESNIGUZWPWZEV-UHFFFAOYSA-N 439.556 4.209 10 20 IICD CC(C)(C)n1ccnc1SCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566717 BBYBGPLFBBHSTG-UHFFFAOYSA-N 438.544 4.117 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccnc(Oc4ccccc4)c3)CC2)cc1 726611857 UTEFCCXOJFKQKA-UHFFFAOYSA-N 432.524 4.351 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 728308093 HESBEJSKQPVTFZ-AOYPEHQESA-N 435.612 4.496 10 20 IICD Cc1cc(C(=O)N2CCC(N3CCCC3=O)CC2)c(C)n1-c1cccc(Br)c1 729445749 KGIIROHUTXORQL-UHFFFAOYSA-N 444.373 4.084 10 20 IICD CC(C)n1c([C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)nc2ccccc21 733997713 ICTGBYCLRPHHNL-NRFANRHFSA-N 433.600 4.179 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(SC)cc1OC 741300769 MQLKGCXMBMWARU-ZDLGFXPLSA-N 432.592 4.265 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2ccnc2S)cc1 742799574 ZHEQWNYPIQWAQJ-INIZCTEOSA-N 444.507 4.161 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CN(CC1CC1)C(=O)OC(C)(C)C 743808257 QILSEJVTUIBVHD-UHFFFAOYSA-N 441.366 4.150 10 20 IICD CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2s1 743885131 YUHCHQKOEGHEID-UHFFFAOYSA-N 436.581 4.449 10 20 IICD CN(C)CCOc1cccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 745461375 RTUPIEKCAVRYTM-UHFFFAOYSA-N 425.573 4.377 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 747386765 CJCMKQUFWQTVMG-UHFFFAOYSA-N 426.542 4.022 10 20 IICD O=[N+]([O-])c1cccc([C@H](O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 749663251 OFXHVNWYHKYLQV-PZJWPPBQSA-N 425.510 4.463 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 753383584 PLNHOJRWIYHWLT-NHCUHLMSSA-N 425.548 4.312 10 20 IICD CC1(c2ccccc2)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 753573720 WROVCWDJQGQWFN-UHFFFAOYSA-N 425.548 4.050 10 20 IICD C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)c(F)cc1O 756593671 LVILLCXMQQCVEC-FVMDXXJSSA-N 446.700 4.103 10 20 IICD COc1cccc2c1CC[C@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 759726102 CPUMGUXDWIEDHJ-HXUWFJFHSA-N 449.473 4.037 10 20 IICD CC1CCN(Cc2ccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2)CC1 761003407 HZZLWTYMHAZZKC-UHFFFAOYSA-N 441.959 4.242 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 761745548 KIBZKEUMDRVXSZ-UHFFFAOYSA-N 448.903 4.258 10 20 IICD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 764998948 BSHBTENXIFWPGB-FUHIMQAGSA-N 443.519 4.233 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cncc(-c2ccc3c(c2)CCO3)c1 770153069 NSWPTVRLNJEMBV-UHFFFAOYSA-N 431.561 4.167 10 20 IICD C[C@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 771623665 HQNSGWBAFVFFTR-SFHVURJKSA-N 439.556 4.290 10 20 IICD CN(Cc1cc(Br)cc(Br)c1O)Cc1nc2ccccc2n1C 775695041 DMIFWJZPEYZPHF-UHFFFAOYSA-N 439.151 4.436 10 20 IICD CCCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccc(F)cc1 782261600 PWZOWDREFJRGRP-UHFFFAOYSA-N 436.531 4.371 10 20 IICD C[C@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(Br)ccc1O 783647565 PAEJDPOPMZGCBZ-AWEZNQCLSA-N 434.330 4.282 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1O 787305416 XHPMJBCSJBUSKH-UHFFFAOYSA-N 434.492 4.460 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 787462952 UQVPXKKZPUXCMI-UHFFFAOYSA-N 449.536 4.452 10 20 IICD C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 795049755 CCMKYKMAIGVCGC-GQWLDOHISA-N 434.458 4.403 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1cccc(C(F)(F)F)c1 795997935 LZWXBUPKIJYVNR-GOSISDBHSA-N 444.400 4.125 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(c2nccs2)CC1 799276795 JWRQCGOKAIWVRW-UHFFFAOYSA-N 434.525 4.282 10 20 IICD COc1ccc([C@@H](O)CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 799994995 WIADWDMROYKOMJ-AOMKIAJQSA-N 431.964 4.118 10 20 IICD COc1cc(OC)cc(C2(F)CCN(C(=O)NCCCSc3nccs3)CC2)c1 802243878 LKQBCZDBABENOH-UHFFFAOYSA-N 439.578 4.313 10 20 IICD Cc1cccnc1[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C(C)C 805867930 UWNJOXWAHFKPOS-QHCPKHFHSA-N 448.567 4.091 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)C[C@@H](C)O1 806205666 FMDOKKUVOUOZCO-VXGBXAGGSA-N 425.316 4.029 10 20 IICD CC(C)c1scnc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 811266318 XIMFVZODDCKEPL-ZDUSSCGKSA-N 448.500 4.226 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1OC 914578025 ORYFDZDVQWOMLK-UHFFFAOYSA-N 434.923 4.482 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1-c1ccccc1F 917710601 KMAIHWFBHHFIDM-HOTGVXAUSA-N 440.494 4.003 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)cc3)cc2F)C[C@@H](C)O1 917710656 CMFRZCUUKDGBIN-GASCZTMLSA-N 440.437 4.310 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4cccc(F)c4)no3)cc2F)C[C@@H](C)O1 917715932 ZRBXTLWBZHHTMG-GASCZTMLSA-N 427.451 4.163 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 918111233 JAWJXPCCWUNNMW-UHFFFAOYSA-N 429.977 4.050 10 20 IICD CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918429437 SKMAOOGUYKJJJG-FQEVSTJZSA-N 430.464 4.339 10 20 IICD C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCC(CO)CC5)cc4)cc3c2C1 919968871 OFSXZMNDOOXVFE-SFHVURJKSA-N 431.580 4.431 10 20 IICD CC[C@H](C)[C@@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 919998175 UKSDIOURTZMUKF-FIZWVAMCSA-N 441.416 4.201 10 20 IICD C[C@@H](NC(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920873117 MODMKFXOSBHKHI-OAQYLSRUSA-N 436.600 4.434 10 20 IICD CCO/C=C/C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790777311 SYISGKAFBLNSCR-DHZHZOJOSA-N 430.888 4.049 10 20 IICD Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1 9947485 YWNIBESHJUYCSJ-UHFFFAOYSA-N 443.503 4.079 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 27157058 ZDDAVHGLKBUQAG-UHFFFAOYSA-N 436.552 4.460 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CCSC)c3nnc4ccccn34)c2C)cc1 105295708 BWFQVQOZNCEDEB-NRFANRHFSA-N 449.580 4.370 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)cc1 108693592 DTXHRBNSTJTWGN-UHFFFAOYSA-N 449.576 4.386 10 20 IICD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 116034537 QKCWDVXEPXTNBZ-QGZVFWFLSA-N 429.561 4.193 10 20 IICD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472802285 GTQOESDHCSXZNT-UHFFFAOYSA-N 433.430 4.159 10 20 IICD COc1ccc(OC)c(NC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726494196 RXHCWOHNVSRFIL-UHFFFAOYSA-N 437.512 4.261 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(OC)ccc3Br)CC2)cc1 726697503 LUNKYOKPUMAUBF-UHFFFAOYSA-N 434.334 4.257 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 730593438 OFDOBHUUICEPTK-HKWRFOASSA-N 429.563 4.164 10 20 IICD COc1ccc(OC(F)F)c(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 733334939 VIHKTSNNLOQJFM-KRWDZBQOSA-N 426.891 4.410 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](CN3CCCC3)C2)c(C)n1-c1cccc(Br)c1 739786159 QPBMLHHOODHYSH-SFHVURJKSA-N 430.390 4.415 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3OCC3CC3)cc2F)C[C@H](C)O1 740072125 JLGFPTAQXYTBKD-ROUUACIJSA-N 441.547 4.228 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2ccccc2Br)CC1 741277409 WMPBGYVLJZVXIZ-UHFFFAOYSA-N 426.358 4.356 10 20 IICD C/C(=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 742566906 RIVWQPLLKCNBLK-APEZIOSESA-N 445.485 4.127 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 742805584 MKXNQOMSWCYUOI-CYBMUJFWSA-N 425.819 4.248 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1F 743599700 WGRVLXTXWBCFHF-UHFFFAOYSA-N 427.499 4.039 10 20 IICD Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(N2CCOCC2)c1 753948426 ZEEFRKSWAJNPQL-UHFFFAOYSA-N 436.600 4.164 10 20 IICD CCOc1ccc(Cl)cc1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 756745457 PCVHGBKCISDIIC-FQEVSTJZSA-N 432.948 4.378 10 20 IICD C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)c1ccc(N2CCOCC2)cc1 758453913 PUIKOYYBTXWFAA-LJQANCHMSA-N 432.568 4.497 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1F 758678423 HIJNTCMLTPHGJZ-HXUWFJFHSA-N 425.508 4.147 10 20 IICD COc1ccc(C[C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 758960785 BSLNYGHOIVFDKI-KRWDZBQOSA-N 447.526 4.443 10 20 IICD CCCCOc1ccccc1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 759958371 ZSOCPMOUOSLSOV-UHFFFAOYSA-N 443.544 4.245 10 20 IICD C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O 761094892 ZOLQQKJECRSIFJ-OAQYLSRUSA-N 428.330 4.017 10 20 IICD C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642047 PCHMNALTCAUMTL-HNNXBMFYSA-N 448.470 4.172 10 20 IICD COc1ccc(N2CCCN(C(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 765647859 GSTNGUJEBQZWSD-UHFFFAOYSA-N 445.604 4.161 10 20 IICD COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 765993815 NABKESUWGIINDG-OXJNMPFZSA-N 431.964 4.026 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3cccc(C)c3)c3ccccn3)CC2)cc1 766253410 WOWLMUVZLGSVPO-VWLOTQADSA-N 430.552 4.456 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)n1-c1nccs1 768915121 JNVANLZPMFTSPY-SFHVURJKSA-N 444.988 4.304 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(Cc1ccccc1)C1CC1 769649058 MMUDAKFEDVHSOY-UHFFFAOYSA-N 428.535 4.059 10 20 IICD Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773740576 QZXBFVBDNFVRSB-ZDUSSCGKSA-N 431.945 4.085 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 784024364 LXMDYKXVVDNGSY-UHFFFAOYSA-N 426.513 4.100 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2Cl)C1 791064343 RSKJDXVBRZUDOE-LPHOPBHVSA-N 447.000 4.154 10 20 IICD COc1ccc2c(c1NC(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CCC2 791125289 HTAOEYYXNMIBDJ-UHFFFAOYSA-N 444.534 4.004 10 20 IICD COc1ccc(CNCc2cc(Br)c(OC)c(Br)c2)c(O)c1 793386529 VPEGBJVTJKTFSV-UHFFFAOYSA-N 431.124 4.224 10 20 IICD CC[C@@H](C)n1c(SCC(=O)NCc2ccc(OC)cc2O)nnc1-c1ccccc1 794378963 KYCSUPSXFREKEO-OAHLLOKOSA-N 426.542 4.039 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)c2)o1 796697325 CWIOZSRCCCOEMX-UHFFFAOYSA-N 449.576 4.372 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)cc2Cl)C1 799883704 NBUKUYACXSPJRZ-NVXWUHKLSA-N 446.945 4.260 10 20 IICD CC(C)(C)Sc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1 807387582 ORRXXTUBQPCTHS-UHFFFAOYSA-N 437.359 4.300 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 807766511 CSDUYUWTRCOHSX-HXUWFJFHSA-N 444.579 4.429 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Oc2cccnc2)cc1 808944258 HTYZAMVBQIFBKJ-UHFFFAOYSA-N 432.263 4.141 10 20 IICD COc1ccc(O)c([C@H](C)NCc2cc(Br)cc(Br)c2N)c1 813332064 ZDLNKBZFJTUXJJ-VIFPVBQESA-N 430.140 4.359 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1-c1ccncc1 815650387 PZXKOWPXKPGEAA-UHFFFAOYSA-N 430.291 4.324 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 915341512 XEIKCVWHIDXRQS-UHFFFAOYSA-N 441.425 4.267 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cc(Cl)ccc3Cl)cc2F)C[C@H](C)O1 917152827 XLDRDHRATZNCGX-KBPBESRZSA-N 441.330 4.441 10 20 IICD CCC(CC)[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 918116810 AOKNDEUEXXDKEF-UPVQGACJSA-N 436.600 4.365 10 20 IICD CC(C)CCOC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918220548 KXAOVSLOZAWRDO-RTBURBONSA-N 435.584 4.176 10 20 IICD CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918469313 RHEDGHGUHITUQB-HSZRJFAPSA-N 429.524 4.330 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)Sc3ncccn3)c2C)cc1 919630510 UZBMDEVESYAMPL-KRWDZBQOSA-N 439.537 4.190 10 20 IICD CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1Cc2ccccc2C1 919867965 HSJLHDBADDDJCY-RGEXLXHISA-N 442.631 4.355 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C 920319982 STKQLMYKWGARNY-UHFFFAOYSA-N 449.507 4.200 10 20 IICD O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 920495809 HSWQSHKFEVHNLJ-OUKQBFOZSA-N 444.531 4.466 10 20 IICD CCOCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 1116214933 XLLYCEZQMXEOGW-UHFFFAOYSA-N 432.523 4.043 10 20 IICD Cc1ccc(C)n1-c1ccc(-c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)o2)cc1 1117272207 BELMXXOECVLPTR-UHFFFAOYSA-N 441.535 4.102 10 20 IICD COCCNC(=O)c1cccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1258016269 RVINIFZMUKTWQX-UHFFFAOYSA-N 425.916 4.376 10 20 IICD CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1822734140 BXSNCCLHIAAYIN-ZDUSSCGKSA-N 449.960 4.180 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccnc(Cl)c3)C2)cc1 1842447806 GJXYIPOOOAJDHH-UHFFFAOYSA-N 448.954 4.273 10 20 IICD Cc1ccc(-n2ncc(NCc3ccc(N4CCOCC4)cc3)c(Cl)c2=O)cc1Cl 64931076 AFTPUUZCRBCLRN-UHFFFAOYSA-N 445.350 4.296 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2C2OCCO2)c(C)n1-c1ccccc1Br 726945754 UBCYJQNSKVVUQA-LJQANCHMSA-N 433.346 4.224 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 728982055 JCXWDCNPGJBIIG-KRWDZBQOSA-N 439.533 4.174 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 729035862 OUZRYHKTTQFPTO-MRXNPFEDSA-N 435.480 4.301 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)ccc21 729396865 LEFKYFJJXFEDLG-LJQANCHMSA-N 443.588 4.234 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nc(C)n(-c3ccccc3)n2)cc1 732114327 CNUVYZIWUHRSFP-UHFFFAOYSA-N 441.535 4.497 10 20 IICD O=C(NCCCSc1nccs1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 733972659 UMYNCFHHIMHWPU-GFCCVEGCSA-N 430.382 4.101 10 20 IICD O=C(NCCc1ccc(Br)cc1)NCc1ccc(N2CCSCC2)cc1 735326516 OQTRCHBSMULYKF-UHFFFAOYSA-N 434.403 4.044 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 735682236 UPDMMDSUCXHZKO-IBGZPJMESA-N 440.396 4.079 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(F)c1Cl 743047209 YBEVQZXOOBPDQC-UHFFFAOYSA-N 433.845 4.094 10 20 IICD Cc1cc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(C)n1-c1ccccn1 744804589 KQNKOBVTAAIREC-UHFFFAOYSA-N 433.903 4.248 10 20 IICD COc1cc(OC)c(OC)cc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 745312345 KLWRXEYZQZMLDR-UHFFFAOYSA-N 428.529 4.463 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1N1CCCC1 745766841 HBTGKNOEPIZRPG-UHFFFAOYSA-N 432.362 4.487 10 20 IICD COCCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c2ccccc21 750873920 AZZSEDDNEODYOS-QFIPXVFZSA-N 435.568 4.175 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn(-c2ccccc2C(F)(F)F)nn1 751302337 MUCSQIMBLQZNEL-UHFFFAOYSA-N 449.396 4.248 10 20 IICD COc1ccc(CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(OC)c1 753965908 ZDJIICVERLVNHU-ROUUACIJSA-N 444.547 4.096 10 20 IICD COc1ccccc1[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1O)c1nccn1C 756390472 IFSIJBZROGJLRP-KPZWWZAWSA-N 434.309 4.476 10 20 IICD COc1ccc(COc2cccc(F)c2)cc1NC(=O)NCCc1ccc(O)c(O)c1 761628744 GQMOETRSKNPAKQ-UHFFFAOYSA-N 426.444 4.189 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2cnn(C(C)C)c2nc1C 761753737 VCZPWMODVHDCKS-UHFFFAOYSA-N 431.334 4.451 10 20 IICD O=C(NCCOc1ncc(Cl)cc1Cl)N(Cc1ccco1)Cc1ccccc1O 762357229 PKCKOUNRDDBTMR-UHFFFAOYSA-N 436.295 4.478 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C1CC1 763116559 FSJVMDBYASBPHS-MRXNPFEDSA-N 436.512 4.198 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cnn(Cc2ccc(Cl)cc2)c1 765299137 SWFBEKLLKUIQSC-UHFFFAOYSA-N 435.709 4.375 10 20 IICD COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1 765510769 NSAOWZBOMSVPFK-OAHLLOKOSA-N 447.251 4.360 10 20 IICD COc1cc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(O)cc1C 768445056 DSWKYSLRPCRFGK-UHFFFAOYSA-N 433.346 4.322 10 20 IICD C[C@@H](NC(=O)NCC1(CCOCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 770359936 QZKUHUFXYMVJDD-OAQYLSRUSA-N 437.584 4.271 10 20 IICD CN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)[C@H]1c1cccc(Br)c1 772124702 OWBGBOZNNUTMAD-CQSZACIVSA-N 429.101 4.478 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 773238603 VAINOMKVDDDPGJ-OAQYLSRUSA-N 449.979 4.315 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1)c1ccc(N(C)C)cc1 773847112 OMWBCQVDUIBCSM-GOSISDBHSA-N 447.583 4.343 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc4c(c3)CCC(=O)N4C)SC2=S)c1 773897931 KMKZKWPZVDIDBZ-ODLFYWEKSA-N 440.546 4.019 10 20 IICD CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCC2 774137831 IFFDDHBOZPQMRY-NRFANRHFSA-N 426.557 4.141 10 20 IICD C[C@H](NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 774394311 DXWVNKQMXQHZOT-GOEBONIOSA-N 442.909 4.096 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](c3ccc4nc(O)oc4c3)C(C)C)cc2F)CC1 774407612 BUSKVFHOKBEOFS-HSZRJFAPSA-N 426.536 4.301 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(C(F)(F)F)c1 774922548 IKBDDINNJPRRPT-OAHLLOKOSA-N 446.425 4.410 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cc2)CC1 776301748 BILFALUYNJWDIG-UHFFFAOYSA-N 428.535 4.124 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cccc(C(=O)OC(C)(C)C)c2)SC1=S 777874879 HXEGNAYAZWFZGO-ATVHPVEESA-N 434.627 4.431 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2nn3cc(-c4cccnc4)nc3s2)C1 782320386 WSYNHOZUURNDAK-KRWDZBQOSA-N 440.960 4.288 10 20 IICD OC1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2F)CC1 783725644 PJFSDEFRRLCVSV-UHFFFAOYSA-N 438.366 4.036 10 20 IICD CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058620 XOAUTJMMQCMHEL-UHFFFAOYSA-N 436.556 4.102 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](C4(C)OCCO4)C3)cc2Cl)C1 799994804 FNQVPWVYRIBVSC-IEBWSBKVSA-N 435.996 4.261 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N(CCCO)Cc3ccccn3)cc2Cl)C1 800721290 ZCTJSBLGZLFOIP-SFHVURJKSA-N 430.980 4.066 10 20 IICD CCc1nc2cc(CNC(=O)NCc3cccc(Br)c3O)ccc2n1C1CC1 801773971 OCJVBNOVWAAHLG-UHFFFAOYSA-N 443.345 4.401 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)cc1Br 806735899 FTUREEWOEDWFKH-UHFFFAOYSA-N 438.297 4.071 10 20 IICD O=C1NCCCN1c1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1F 808428469 YMVWMOZAJRSWIC-UHFFFAOYSA-N 427.480 4.256 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(F)cc3N3CCCCC3)CC2)cc1F 810308695 CMYWNETUBDNBNZ-UHFFFAOYSA-N 448.489 4.457 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1csc(-c2ccccc2F)n1 812718203 IGBZQTZCTRHXFE-INIZCTEOSA-N 445.585 4.035 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c(C)n1-c1ccccn1 914907262 UEBFUDZJWXDSBA-HNNXBMFYSA-N 429.423 4.275 10 20 IICD O=C(Cc1c(F)cccc1Cl)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456782 RGRLEGDGLALSPY-UHFFFAOYSA-N 430.829 4.193 10 20 IICD O=C(Nc1cc(Cl)ccc1N1CCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 916669507 BPAIQDMOFUWEKT-LJQANCHMSA-N 445.947 4.095 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC[C@@H]1Cc2ccccc2O1 917205249 SWEQWHVOUGFJRQ-NRFANRHFSA-N 445.544 4.403 10 20 IICD O=C1/C(=C\c2cc(Br)c3c(c2)OCCO3)SC(=S)N1c1cccnc1 917516321 SKHBIMIQNQAZIS-RIYZIHGNSA-N 435.324 4.021 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 917751613 JNUYQFHBRVLPEQ-UHFFFAOYSA-N 443.761 4.209 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1 917872426 LGGJMSZZRYWDBT-UHFFFAOYSA-N 445.591 4.225 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2)cc1 918074034 VZKJEDXPCBUGTB-UHFFFAOYSA-N 447.583 4.044 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 918224966 XRRKEYYLUXFNCO-HXUWFJFHSA-N 436.531 4.233 10 20 IICD COc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1OC 918228045 QVIJDTSKIAYDCG-UHFFFAOYSA-N 427.545 4.044 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC(=O)N2CCCc3ccccc32)cc1 920045664 SGSYGQLXTKEYLP-UHFFFAOYSA-N 446.551 4.037 10 20 IICD O=C(CN(Cc1ccc2ccccc2c1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 920088640 GPFKUMUDPFTTHJ-UHFFFAOYSA-N 447.554 4.096 10 20 IICD COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(C)C 920872691 WYYRHQVOCBDBQL-MOPGFXCFSA-N 441.572 4.440 10 20 IICD C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)c1c(Cl)cccc1Cl 1254184416 NIQZIYNMRQYKHA-SPLOXXLWSA-N 426.363 4.096 10 20 IICD C[C@H]1C[C@H](C)CN(Cc2ccccc2CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1318630398 STRXYVXLYCDPSB-VXKWHMMOSA-N 438.635 4.345 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccnc3OCc3ccccc3F)CC2)cc1 1343549024 XMXFWEUVEYWHKZ-UHFFFAOYSA-N 435.499 4.161 10 20 IICD O=C(NCCc1nc(Cc2ccccc2)no1)N(Cc1ccccc1O)C1CCCCC1 1527949405 FCBGIMZNQMHQLN-UHFFFAOYSA-N 434.540 4.453 10 20 IICD CCNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CCCOC(C)C 11233332 GTPHVKFXFIFKMN-UHFFFAOYSA-N 440.407 4.356 10 20 IICD Cc1ccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)nc2c1 11643476 PJSWYRKYQYEHMZ-HXUWFJFHSA-N 432.549 4.338 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC(F)F 23215755 RPGAZSLBQIPDET-NVNXTCNLSA-N 437.445 4.401 10 20 IICD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 57512492 XZTCLXBSSKSLQZ-DYESRHJHSA-N 443.569 4.349 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCN(C)CC4)c3)c2C)cc1 72026855 MODSNMBXHRYHKP-UHFFFAOYSA-N 432.568 4.102 10 20 IICD C[C@H](NC(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccc(N2CCOCC2)cc1 726244186 BBRRNRYGFNQLAV-IBGZPJMESA-N 438.572 4.190 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 726563225 WFVPZUNKYSTETG-SFTDATJTSA-N 429.358 4.346 10 20 IICD C[C@@H]1CCCCN1CCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610143 DTJKTPVTLLIZGE-GOSISDBHSA-N 438.563 4.211 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@@H](C)NC(=O)C2CCCC2)c(C)n1-c1cccc(F)c1 727201505 ZPAUDOGWSOHJGO-OAHLLOKOSA-N 428.504 4.044 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cc(Br)ccc1F 727245804 DPLPYXYDDRCQHO-UHFFFAOYSA-N 441.303 4.405 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)c[nH]1 727247589 DOKZBPMJWVYMBV-UHFFFAOYSA-N 432.310 4.032 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(=O)N(C)C)cc3)c2C)cc1C 728352409 PGNWPPQZMSKMJY-UHFFFAOYSA-N 432.520 4.452 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)ccc21 728522739 NQTLEIZAMJXDDD-HXUWFJFHSA-N 443.588 4.376 10 20 IICD Cc1noc([C@H]2CCCN(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)C2)n1 728913699 FJRDUKZNJSJBBL-KRWDZBQOSA-N 444.482 4.449 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)c1 728983015 RLIXAYLUDQTAMJ-AWEZNQCLSA-N 430.464 4.020 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1F 731364168 SMQSPMASBCMXOC-UHFFFAOYSA-N 444.526 4.371 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)N1c2ccccc2NC(=O)C12CCCC2 731843917 CEEOMUWJNQPISH-UHFFFAOYSA-N 445.519 4.286 10 20 IICD Cc1cc(C(=O)NCC[S@@](=O)C(C)(C)C)c(C)n1-c1ccc(Br)cc1 732768800 VNZUHRNMYLMZII-RUZDIDTESA-N 425.392 4.134 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)cc1OCC(F)(F)F 733846496 QLPKKCKZJSFFHR-UHFFFAOYSA-N 443.853 4.439 10 20 IICD Cc1ccccc1COc1c(C)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1C 734832041 CFIPYKHGQJEZBK-VCHYOVAHSA-N 427.547 4.477 10 20 IICD CCn1c(SCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccccc21 735518698 JSKUUVYDIJOQDN-GOSISDBHSA-N 425.554 4.062 10 20 IICD Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)C2)cc1 735927160 NWUJJIVEUWNPMZ-QFIPXVFZSA-N 432.520 4.375 10 20 IICD O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCCSc1nccs1 736680291 FYXPCGYFCTXKMG-UHFFFAOYSA-N 425.988 4.040 10 20 IICD Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(=O)NC(C)(C)C 740817853 BERJHXRSLZPWDO-GOSISDBHSA-N 438.572 4.243 10 20 IICD O=C1NC2(CCCC2)C(=O)N1CCSc1ncc(-c2ccccc2)n1Cc1ccco1 741475599 JAQILFIUSOFGIJ-UHFFFAOYSA-N 436.537 4.148 10 20 IICD C[C@H](Oc1cccc(F)c1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754182 NMAPWQVQWCFXAL-HRAATJIYSA-N 445.535 4.041 10 20 IICD Cc1nsc(N2CCCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)n1 744419461 IOBUCVGCJFGONW-UHFFFAOYSA-N 435.557 4.413 10 20 IICD C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C(=O)N1c1ccccc1 745881671 KLOMQSFBCRRMIX-YADARESESA-N 446.551 4.251 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCO[C@H](c2ccccc2)C1 745903673 IPPXEBVHGGBEEQ-UGKGYDQZSA-N 445.510 4.430 10 20 IICD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)NCCCSc1nccs1)C2 748313556 AJMAQIKLXNWNIG-HOTGVXAUSA-N 425.620 4.310 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c2C)cc1 750798871 TZHQAHTWCKNFEY-SFHVURJKSA-N 427.545 4.090 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 755843122 YXATXULGAWCFKX-UHFFFAOYSA-N 439.556 4.370 10 20 IICD C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1cc(Cl)ccc1O 756760992 SOLJGTVKLHBCDA-CYBMUJFWSA-N 425.754 4.496 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 759927486 IAFZMBXYVMHMBH-RTWAWAEBSA-N 442.541 4.302 10 20 IICD Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1 760745769 ZOWCHRREDLBYTP-UHFFFAOYSA-N 435.597 4.042 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc2ccccc2c1Br 763281542 VQKHHOYJVFBUJH-ZDUSSCGKSA-N 430.298 4.140 10 20 IICD CCOc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1OC(F)F 764798767 UNHAGARTGHKPIJ-UHFFFAOYSA-N 445.260 4.154 10 20 IICD O=C1Cc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc3c2N1CCC3 764950456 LFFBDYOABWBZAP-UHFFFAOYSA-N 445.953 4.100 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2coc(C3CCC3)n2)NC(=O)OC(C)(C)C)cc1 767968983 KRGUXZBPRFAGJN-GOSISDBHSA-N 428.533 4.004 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 768208432 PASPDDAQCVAHLU-QHCPKHFHSA-N 430.976 4.366 10 20 IICD O=C(NCc1ccc2c(n1)CCCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770701027 OSALTNSTQHHHKW-GOSISDBHSA-N 430.499 4.030 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 776633762 XBEUSNPWIGGIQF-CTNGQTDRSA-N 429.948 4.015 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F 779149892 PFRRIVIJPCGETM-UHFFFAOYSA-N 438.478 4.372 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 779473132 IFFNPJKWWQOPJY-LUAWRHEFSA-N 444.896 4.204 10 20 IICD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784108763 LOYCTHWBJMTNAR-UHFFFAOYSA-N 431.540 4.233 10 20 IICD Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 785043157 WOLMDRFBRKZKRN-QFIPXVFZSA-N 441.491 4.049 10 20 IICD CC(C)c1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n(-c2ncccn2)n1 789257368 BFUSEHGAJKRCAG-UHFFFAOYSA-N 433.560 4.440 10 20 IICD O=S(=O)(Nc1nccs1)c1cccc(NCc2cccc(Br)c2O)c1 796431408 PPZMMJGUKWVGLC-UHFFFAOYSA-N 440.344 4.024 10 20 IICD CNC(=O)[C@@]1(C)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 797414365 NHBRNAFCKCWZRH-DEOSSOPVSA-N 440.927 4.085 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2Cl)C1 800049190 HFOGJARYJLUNAL-INIZCTEOSA-N 439.943 4.160 10 20 IICD C[C@@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1nc2ccccc2o1 801323057 ZAZDPVIQQLJUPX-GFCCVEGCSA-N 444.490 4.314 10 20 IICD CCc1nc2cc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2n1C1CC1 801767640 AYRPFIGQZXLXNS-UHFFFAOYSA-N 447.583 4.112 10 20 IICD CC[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1O 806144513 RFCDVRGTSNVQEF-ZDUSSCGKSA-N 435.295 4.054 10 20 IICD CCCCNS(=O)(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806171790 WYVTTXZXQHSUNJ-UHFFFAOYSA-N 446.356 4.099 10 20 IICD CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1O 810215318 CVXDBDJCCZJQAY-UGSOOPFHSA-N 430.492 4.463 10 20 IICD CC(C)OCc1nc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)no1 812649686 ZSEXHPOVLNRXOR-QGZVFWFLSA-N 441.532 4.127 10 20 IICD CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C 913096085 ADCPQTKRPRBFNI-OAHLLOKOSA-N 441.487 4.168 10 20 IICD COc1ccccc1[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nccn1C 915226443 NLMGLFGSLBJZGM-QHCPKHFHSA-N 435.528 4.206 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1ccc(F)cc1 915269268 SJWZPCIUIRULKL-KRWDZBQOSA-N 425.548 4.344 10 20 IICD CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12 915624889 XUCYWBSKSYYLGH-UHFFFAOYSA-N 434.540 4.332 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2C)cc1 916104656 BRCPQDWEYBRBGN-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C 916678258 SOOOOEYWGJFUEG-HOTGVXAUSA-N 428.508 4.028 10 20 IICD CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1 917560200 SIQKORKDPNBXQQ-GZTJUZNOSA-N 430.530 4.423 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCOc2cccc(Br)c2)C2CC2)cc1 918138173 NQSXBOCNJVDPQJ-UHFFFAOYSA-N 432.362 4.268 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 918209850 JXGRILWASJFBAL-IYBDPMFKSA-N 442.560 4.091 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccc(Cl)cc3)cc2F)C[C@H](C)O1 918222796 XFGDPAOLVONWTI-IRXDYDNUSA-N 449.954 4.313 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC(F)F)c2ncccc12 918545583 KVSQGRXQKVPCBI-UHFFFAOYSA-N 446.429 4.134 10 20 IICD Cc1c(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc2ccc(F)cc12 920350355 ZMRSCHVIRZPGRA-UHFFFAOYSA-N 425.504 4.088 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCN(C)CC3)c(F)c2)cc1 1115863891 PJEFSKXQVJPKFW-RUZDIDTESA-N 446.526 4.357 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC1CCC2(CCOCC2)CC1 1252728089 UMLFCSQNDGUENP-UHFFFAOYSA-N 437.531 4.295 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1 1317936034 LNMOHPIWYJMFTI-SFHVURJKSA-N 438.959 4.298 10 20 IICD O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(N3CCOCC3)cc2)s1 16331380 UEJZRJAPUGQLAN-RGEXLXHISA-N 440.956 4.042 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 27126366 UNCSPNLIEGOMMY-UHFFFAOYSA-N 446.960 4.119 10 20 IICD COc1ccc(N2CCC(NC(=O)c3c(C)nc(-c4ccco4)nc3SC)CC2)cc1 110655523 ANRFDGXPMILJBN-UHFFFAOYSA-N 438.553 4.174 10 20 IICD Cc1c(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n(C)c2ccccc12 472284662 MKRBPWGEMOMMMN-OAQYLSRUSA-N 429.467 4.371 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1 725772024 PWWFXEZHVSJDRN-AREMUKBSSA-N 434.580 4.469 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3F)SC2=S)cn1 726986547 SGWTZFWLFJBBPF-QPEQYQDCSA-N 425.304 4.398 10 20 IICD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 727091725 LUMOCXNIXXJBHE-ZDUSSCGKSA-N 427.303 4.053 10 20 IICD Fc1cc(CNC2CCN(c3nc4ccccc4s3)CC2)ccc1N1CCOCC1 727469303 SULSOSVNWOALFE-UHFFFAOYSA-N 426.561 4.031 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](C)CSc3ccccc3OC)CC2)cc1 728958258 ZAHFGLPFUZVSJD-SFHVURJKSA-N 443.613 4.400 10 20 IICD COc1ccnc(N2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)c1 729468005 OJCYLLOYJUKTNW-UHFFFAOYSA-N 428.330 4.034 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nc(C)cs1 729495915 BCKIHRPFMAGMGA-KRWDZBQOSA-N 442.507 4.257 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nnc(Cc4ccc(F)cc4)s3)CC2)cc1 730385404 DIUSQBPEIAJPKW-UHFFFAOYSA-N 441.532 4.067 10 20 IICD Cc1cc(C)cc([C@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 730501464 DCFDRGLKWXALCM-HNNXBMFYSA-N 428.444 4.478 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1F 731364269 VXUMERGQGMFSKR-LJQANCHMSA-N 427.442 4.224 10 20 IICD Cc1ccc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CCOCC2)cc1 731975668 MHRRAZHIJUEQNX-BGYRXZFFSA-N 440.559 4.112 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 732270089 ZJTNVKBGJLYZCH-UHFFFAOYSA-N 446.463 4.350 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)cc1F 732765641 NJBQROKBHOIONQ-UHFFFAOYSA-N 436.553 4.083 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 740483541 BWHXMMLZEFVGSE-QFIPXVFZSA-N 440.975 4.277 10 20 IICD Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1 742907204 WFIYEOWNGIVVLH-HXUWFJFHSA-N 440.569 4.026 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Oc4cnccn4)cc3)SC2=S)c1 743058176 HLHNDPMVUNZDOQ-LICLKQGHSA-N 435.486 4.373 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 743809503 VEAIPJXKOVIYCK-UHFFFAOYSA-N 447.329 4.073 10 20 IICD CC(C)CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 745810402 HBKSOQDYHZDDDP-LJQANCHMSA-N 443.592 4.381 10 20 IICD Cc1cccc([C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(C)(C)C)c1 749556183 XLJOMMOMQNVKTI-GMAHTHKFSA-N 436.600 4.283 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 753640908 TZBBJQJBNJLLAH-ZDUSSCGKSA-N 443.297 4.409 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(=Cc3ccccc3F)CC2)c1 756861972 JKXNDSHBLCQONK-UHFFFAOYSA-N 438.543 4.246 10 20 IICD COc1cccc(-c2nnc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)o2)c1OC 758466429 BESOLNBCHHJSKZ-UHFFFAOYSA-N 439.472 4.264 10 20 IICD COC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc12 758868644 TZWVNVAXDHBWFN-UHFFFAOYSA-N 429.476 4.446 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)ccc1[N+](=O)[O-] 759161831 UYRVHIWGUVJMDR-UHFFFAOYSA-N 425.875 4.181 10 20 IICD Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)NCCc1ccc(O)c(O)c1 761646809 OLWBXUSLJMENRU-UHFFFAOYSA-N 434.471 4.463 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 763060322 ZUKNKYJSWWIHEZ-KBMXLJTQSA-N 431.421 4.066 10 20 IICD O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1cccc(Br)c1O 764756897 IZJBVXGQASSIKP-UHFFFAOYSA-N 447.251 4.233 10 20 IICD C[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccc(Br)c21 765255526 RAMIXIIHVASFAI-LDBYXDLTSA-N 442.401 4.489 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 765623829 OVGWDPFVVULZGQ-FQEVSTJZSA-N 436.600 4.271 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N2CCOCC2)c(F)c1 765703382 IAGYDHATAWQFFZ-VQIMIIECSA-N 448.380 4.354 10 20 IICD CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cccc(Br)c1O)c1ccccc1 765727515 BTUBWPMSFBNNGG-QGZVFWFLSA-N 449.345 4.427 10 20 IICD Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 770089927 SUZXHNDNLJADKO-UHFFFAOYSA-N 445.566 4.190 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O 775039803 NQRHJIGIFZXHLM-SWLSCSKDSA-N 429.355 4.041 10 20 IICD C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(N(C)C)cc1 775435097 RWFGHJYGJSVNMA-OAHLLOKOSA-N 436.478 4.491 10 20 IICD CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)cc21 777694244 CULOFBKDSCZYQM-INIZCTEOSA-N 428.964 4.442 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 777822275 FUIIKYFNZIXDLD-WZONZLPQSA-N 442.515 4.001 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(Cc2ccccc2F)n1 777827528 BJDOIOOJMHJLLV-UHFFFAOYSA-N 448.903 4.047 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC3 779412517 NOIIOFDAMCTGJI-FQEVSTJZSA-N 432.568 4.012 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C2CC2)cc1 780046792 FYSLGGYYAHUVEM-UHFFFAOYSA-N 437.874 4.137 10 20 IICD COC(=O)c1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)on1 781417340 YBKHLTHVIHGVNS-UHFFFAOYSA-N 440.456 4.384 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)O3)c(C)n1-c1ccc(Cl)c(Cl)c1 781996411 CCJFOHIHQPAJAZ-UHFFFAOYSA-N 436.339 4.158 10 20 IICD Cc1c(N[C@@H](C)c2cc(Br)c(F)cc2O)cccc1N1C(=O)CCNC1=O 800498668 AFQXWBRBOFKTIQ-NSHDSACASA-N 436.281 4.222 10 20 IICD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800719876 ORVPENAIZPTWAI-QVKFZJNVSA-N 445.995 4.199 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCSCc1nc(O)c2ccccc2n1 801548224 CDRJQCMBUMHPEZ-UHFFFAOYSA-N 425.554 4.493 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CCCN(Cc2cccs2)C1 805030186 ZUNVNXZKBYCBRM-ZDUSSCGKSA-N 428.385 4.472 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807673955 CLIYJIIZUHLNNK-NYSBEXSLSA-N 447.501 4.401 10 20 IICD COc1ccc(Sc2nsc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)n2)cc1 809923458 NBOQTIIQOJBEID-LLVKDONJSA-N 432.527 4.295 10 20 IICD C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 812391020 QDJMPCUFWXMMKW-DLBZAZTESA-N 442.947 4.450 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@@H]1c1ccncc1 914605514 BMCZKYRQXIYZCR-OLCHLOJWSA-N 443.619 4.488 10 20 IICD Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2C)cc1 917713224 JQPMIZQDDYCRIY-HDICACEKSA-N 436.531 4.172 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CN(C)C(=O)C1CC1 918695928 GROXRLUCPMTOOO-IBGZPJMESA-N 433.474 4.167 10 20 IICD CCCCc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 919971042 HBHWKDCVYIAIBT-UHFFFAOYSA-N 440.559 4.409 10 20 IICD CCCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1 920881652 JWNJHXLZFNLJAV-HXUWFJFHSA-N 432.568 4.212 10 20 IICD COc1ccc(-n2c(C)cc(-c3nnc(C4CCN(c5ncccn5)CC4)o3)c2C)cc1 1322846616 HKUCMKLVKMSPCK-UHFFFAOYSA-N 430.512 4.327 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790777019 GUKYAYRFHCXLAT-GOSISDBHSA-N 446.956 4.395 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 10519453 QQRPNBZTDIMPLR-UHFFFAOYSA-N 431.945 4.250 10 20 IICD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)n(C)c2ccccc12 437004456 UEHVHOYTEJLALI-HSZRJFAPSA-N 441.531 4.267 10 20 IICD CCCOc1c(Br)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC 437022329 UJSFTUASTUUTDI-UHFFFAOYSA-N 449.345 4.352 10 20 IICD Cc1cc(-c2nc(CCn3c(C)nc4ccccc43)no2)ccc1NC(=O)C1=S=CC=C1 460812384 COVGZHSBSKWXJP-UHFFFAOYSA-N 443.532 4.162 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cc1 725731169 FIMOQQSTRLTALB-UHFFFAOYSA-N 444.579 4.086 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 725867918 AVIZTANKGNMEIQ-TZIWHRDSSA-N 433.474 4.240 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1F 726629470 NZQRAXYXNDBWPL-XDHOZWIPSA-N 430.526 4.077 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(c2ccc(Cl)cc2)CCC1 727034708 XJTARMKTUKPAEU-UHFFFAOYSA-N 445.966 4.361 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 727246358 UCXKHKPWRKSUJB-UHFFFAOYSA-N 440.550 4.173 10 20 IICD C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(=O)C1CCCCC1 727303334 RTIFTUSLHQYWJJ-LJQANCHMSA-N 425.573 4.350 10 20 IICD Cc1cccc(COc2cccc(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)c1 729947811 FVJKBJZAOLITFT-UHFFFAOYSA-N 448.538 4.409 10 20 IICD C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 730277936 DVSJLNVZPYGVCM-GOSISDBHSA-N 449.526 4.137 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 734063237 AIOFHXMBGYGEDN-UHFFFAOYSA-N 426.860 4.023 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c1 734073423 MFTIKXNIGZIHTD-UHFFFAOYSA-N 426.856 4.101 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 734209591 LGQNUVILCJTLRT-UHFFFAOYSA-N 427.501 4.016 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)C2CC2)cc1 734675885 PXVVHCMNVRWZTK-UHFFFAOYSA-N 425.920 4.330 10 20 IICD O=C1/C(=C/c2csc(-c3ccccn3)n2)SC(=S)N1c1ccc2c(c1)OCO2 735328851 GBEJNRYVCJZYTG-APSNUPSMSA-N 425.516 4.340 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 735867285 VSQLHOMCILJLEA-UHFFFAOYSA-N 436.556 4.123 10 20 IICD Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 737512109 NWUKZCOVCMNZAP-GASCZTMLSA-N 441.478 4.472 10 20 IICD COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 741710170 YXHZUMNHRMDCJR-KRWDZBQOSA-N 426.517 4.053 10 20 IICD CC(C)[C@@H]1CN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CCS1 742908982 YRWZBLZCGZNFJE-FQEVSTJZSA-N 439.610 4.168 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCCOc2ccccc21 743577830 JQCXYOORHLUSIS-OXQOHEQNSA-N 431.483 4.470 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 743918901 GUDGNKKOYFMQSL-FQEVSTJZSA-N 444.959 4.389 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCc2ccccc2C1 745583062 ATCNDQLJDCBXNK-INIZCTEOSA-N 446.389 4.133 10 20 IICD COc1sc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1Br 746523808 YGUDWKJTKTXUTP-KPKJPENVSA-N 449.461 4.308 10 20 IICD CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751305130 BPDKYYIDHSWUPP-SFHVURJKSA-N 428.492 4.324 10 20 IICD CC1CCN(C2CCC(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2)CC1 752706254 FWNKULHIZSORLT-VNXZQDSDSA-N 429.605 4.126 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c(C)o1 754695326 XTWJUQNTCNTXOP-UHFFFAOYSA-N 446.428 4.318 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)cc(OC)c1OC 759266740 PCVLGIXBBPROKR-QHCPKHFHSA-N 441.572 4.250 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cc(SC)ccc3C)CC2)cc(OC)c1OC 760009273 PBDXCKWLQFNZNM-UHFFFAOYSA-N 431.558 4.097 10 20 IICD CCCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 760105301 QXJKXTFILUATNI-UHFFFAOYSA-N 427.520 4.106 10 20 IICD CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 760381025 FSIBJRUVKQTRKJ-ZACQAIPSSA-N 428.552 4.414 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 763627971 AYDDPNVHHHDDAC-UHFFFAOYSA-N 448.489 4.493 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 763992738 NKUCXWLKNJTYER-UHFFFAOYSA-N 448.926 4.376 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 765323749 JBEDSRKUFDTZFS-FQEVSTJZSA-N 429.630 4.356 10 20 IICD C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 765608017 GYBFCSSUSBTKLF-SFHVURJKSA-N 428.598 4.473 10 20 IICD C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 765818406 GCQKDBOHLYAHAY-QGZVFWFLSA-N 445.401 4.153 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)cc1 769208093 UYLNHGGJMJLFLY-NRFANRHFSA-N 440.563 4.004 10 20 IICD CCN(C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1)CC(F)(F)F 769515359 OTPZKAUALYHXIC-GOSISDBHSA-N 428.499 4.291 10 20 IICD CC[C@H](Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)c1cc(Br)ccc1O 775531972 IWESGZORCKOFAV-KRWDZBQOSA-N 449.345 4.384 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)cc1C(N)=O 777694365 JVOVGIHHRVWNDI-UHFFFAOYSA-N 437.546 4.480 10 20 IICD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 784479078 USLGCNMYJRUZBU-NRFANRHFSA-N 437.540 4.054 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC4CCCC4)c3)CC2)cc1F 784682435 FVUYVVREQCBMJI-UHFFFAOYSA-N 428.504 4.127 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(COC(C)C)c1 785194753 JZBCDXMJXJJYTI-UHFFFAOYSA-N 449.345 4.067 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 789332334 VATGPMRYDZQVAL-QZTJIDSGSA-N 437.519 4.255 10 20 IICD COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1 793555471 YMSGMRFYAHKRLY-QHCPKHFHSA-N 436.508 4.146 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Oc1ccc2oc(=O)oc2c1 799418678 NBNOZLUZCTWHSP-GDNBJRDFSA-N 447.515 4.035 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCSC4(CCOCC4)C3)cc2Cl)C1 799994152 NMVMQCWRSRPAMM-QGZVFWFLSA-N 438.037 4.384 10 20 IICD C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CS2 800367579 YKMRPKQUHDYHSC-AVRDEDQJSA-N 438.509 4.038 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)cc2Cl)C1 800548395 OFNCGSBXYHNEIF-HNNXBMFYSA-N 447.988 4.228 10 20 IICD C[C@@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800996193 OIGTWEMRYIZOKX-MJGOQNOKSA-N 428.964 4.134 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N[C@H]2CCCOc3ccccc32)cc1)C1CCCCC1 803676170 ACUSHQUJSNKXFP-QHCPKHFHSA-N 435.568 4.102 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3Cl)n2)c[nH]1 808529860 WQLVVXFVVPVAPJ-UHFFFAOYSA-N 432.310 4.032 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1F 808924076 IVYKRFFYUILHCF-UHFFFAOYSA-N 436.487 4.114 10 20 IICD C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1 812437090 QRPJIJZPWXTSRI-PKOBYXMFSA-N 440.519 4.468 10 20 IICD Cc1cc(Br)c(O)c(CN[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 813786571 NRNMUXZQFRUVKK-MRXNPFEDSA-N 425.367 4.342 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCc4cccc(Br)c4C3)cc2F)CC1 815120029 MLDVVMWWVPOZPH-QGZVFWFLSA-N 433.365 4.196 10 20 IICD Cc1cc(Br)c(O)c(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 815155984 QENGMEMZFMVKGV-AUUYWEPGSA-N 435.337 4.444 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 815285296 CRYOJVNYTJDSSM-IBGZPJMESA-N 445.581 4.158 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OC1CCCC1 913962266 NAYAQBZUQKIZIM-ZROIWOOFSA-N 426.357 4.136 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1OC 914577334 UCJZWKFOPNDHOU-UHFFFAOYSA-N 430.429 4.045 10 20 IICD Cc1cc(C(=O)CSc2nnc(N)n2C2CC2)c(C)n1-c1cccc(Br)c1 914689817 ARRFRTSEGWZHSB-UHFFFAOYSA-N 446.374 4.340 10 20 IICD CNC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)c1 918067235 HRRNTWZRFRGNHN-UHFFFAOYSA-N 440.341 4.146 10 20 IICD C[C@@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 920920937 RROOXANJEUIVPT-WIYYLYMNSA-N 429.586 4.037 10 20 IICD CCS(=O)(=O)NCc1ccc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc1 1117165009 LJJHQQZATIGZLC-UHFFFAOYSA-N 436.537 4.250 10 20 IICD CCCCn1c(=O)nc(O)c2c1nc(-c1ccc(N3CCCC3)cc1)n2Cc1ccccc1 1317890232 VTZBFJIPAVDVKE-UHFFFAOYSA-N 443.551 4.414 10 20 IICD COc1ccc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(OC)cc2OC)cc1 1320180653 URYSXMGHABRHED-OEEHESBBSA-N 435.476 4.043 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1 1323788330 DEUMPUZHZFNASJ-UHFFFAOYSA-N 443.960 4.090 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3cc(OC)c(OC)c(OC)c3)ccc21 482960913 INONHSPYWJRPDK-MRXNPFEDSA-N 440.540 4.421 10 20 IICD CN(CCCNC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 726443638 JHQUIOZFYBATRD-UHFFFAOYSA-N 434.613 4.484 10 20 IICD CC(=O)Nc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C 726694443 CANPZDHIEWPHAQ-UHFFFAOYSA-N 432.471 4.345 10 20 IICD Cc1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(O)c1O 727004090 NPXUFMBJOIDRSH-FQEVSTJZSA-N 425.868 4.122 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727490739 XOTGWQWWTOUKDH-ZHZULCJRSA-N 444.553 4.467 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c1 729061712 IYSTUFYYZWNPDA-MRXNPFEDSA-N 426.513 4.066 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1 729656176 RFCFHALHJRHLIB-UHFFFAOYSA-N 433.474 4.161 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730173831 KXQLTLGIHFLALZ-UHFFFAOYSA-N 449.313 4.085 10 20 IICD O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1ccc(N2CCOCC2)cc1 730534141 JSVDGBNPESVJLI-UHFFFAOYSA-N 449.498 4.401 10 20 IICD Cc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1F 731856387 NBQJDHWPPWAKKB-IBGZPJMESA-N 439.487 4.030 10 20 IICD C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 733134735 ZEDLPBOLPKUKDG-QGZVFWFLSA-N 439.943 4.346 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ncc(Cc2ccc(Br)cc2)s1 734513813 VBKUUOAPAOFLKE-UHFFFAOYSA-N 448.342 4.272 10 20 IICD Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 735173943 HFAVUDPMAWHQHG-UHFFFAOYSA-N 429.586 4.194 10 20 IICD O=C(NCCOC1CCCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735686444 XDNJTSZNORGNKZ-UHFFFAOYSA-N 425.520 4.295 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 736403292 RXCNTISJVPUTLY-GAJHUEQPSA-N 445.991 4.124 10 20 IICD CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 742054572 BKKKJQBFHIMRKL-UHFFFAOYSA-N 443.975 4.481 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1 743047093 XLFOEMICDKSTQD-UHFFFAOYSA-N 438.914 4.060 10 20 IICD COc1ccc([C@H](C)CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 743554677 KDTKSDRXLIBKHG-QRVBRYPASA-N 443.563 4.441 10 20 IICD COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743687318 PYWXZXBQXLCHMH-SJORKVTESA-N 449.498 4.032 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 745655772 MPCUGPSEZQLSFA-UHFFFAOYSA-N 435.471 4.205 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 745799052 FJKOVCLIQJFYCK-QFIPXVFZSA-N 445.510 4.348 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCC[C@@H](N4C(=O)c5ccccc5C4=O)C3)CC2)cc1 751599433 CWUIXKARAQUCHC-RBBKRZOGSA-N 447.579 4.251 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)C[C@@H](O)c3ccco3)CC2)cc1 752954093 CVLBCKUFRLIINL-XMMPIXPASA-N 449.551 4.202 10 20 IICD CN(CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)SC1=S)c1ccccc1 758414487 AQWOQVSQMOJYBU-SILNSSARSA-N 438.622 4.410 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cccc4[nH]c(-c5cccs5)nc34)c2)CC1 759877273 OWCKBJIAARTZTA-UHFFFAOYSA-N 445.548 4.245 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1cccc(F)c1)c1ccccn1 761650530 VPIKNVGQWCALQA-NRFANRHFSA-N 425.847 4.134 10 20 IICD C[C@H](c1ccc(OCC2CC2)c(F)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761951028 UJDHNMVZYCCXMU-CYBMUJFWSA-N 432.879 4.499 10 20 IICD Cc1ccc(OCCC(=O)NCc2cccc(Br)c2O)c(Br)c1 765733663 ZTKYXSGYAVBRII-UHFFFAOYSA-N 443.135 4.311 10 20 IICD COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 767930721 HMJYXHFSHZFYMJ-GOSISDBHSA-N 441.597 4.123 10 20 IICD Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1ccc(Br)cc1 768378431 WDWOQXDAYLWXNE-OALUTQOASA-N 435.387 4.203 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 768924532 VINRBAYITAHBHB-UHFFFAOYSA-N 447.501 4.105 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc1 770844535 QTYRAOACPQJJFI-RDPSFJRHSA-N 432.524 4.382 10 20 IICD O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1nc(-c2ccoc2)no1 771195180 QKWNLGVDFPSKOH-QPEQYQDCSA-N 448.323 4.494 10 20 IICD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773858344 QHLPQHJXDHESTH-GOSISDBHSA-N 444.535 4.129 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2c(C)ccc3cccnc23)nc1-c1ccccc1 775209010 QEUVRKFKDZOZFA-UHFFFAOYSA-N 438.534 4.426 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ccc3nnc(-c4ccsc4)n3n2)cc1 775513429 IYKQUWOADSUCNZ-FQEVSTJZSA-N 434.569 4.104 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(C)c4)cs3)cc2)CC1 776299829 CJHZXROPLHIYCG-UHFFFAOYSA-N 446.525 4.263 10 20 IICD COc1ccc(O)c(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776744529 WHTIQOXAKHTNEC-UHFFFAOYSA-N 428.491 4.184 10 20 IICD Cc1cc(Br)cc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1O 779011474 JVFNUEDMNPJGRJ-LBPRGKRZSA-N 432.767 4.241 10 20 IICD COC(=O)COc1ccc(N(C)Cc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 784565374 PJSSNKUWCZJFLG-UHFFFAOYSA-N 435.505 4.252 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC1CCCC1 784621879 IILPGJJTQCVYQC-UHFFFAOYSA-N 426.582 4.500 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(-c4ccc(F)cc4)n3C)ccc21 789713646 SSHVFVRCQAYPQS-UHFFFAOYSA-N 436.487 4.196 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 790591990 STNWRONBJHLRQK-QIQQCEGHSA-N 445.537 4.210 10 20 IICD Cc1nc2cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)ccc2o1 792197813 GNNDGXYYJUCALF-HXUWFJFHSA-N 438.528 4.198 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccnc3C(=O)c3ccncc3)c2C)cc1 795231765 RRFNTCZLRANZOR-UHFFFAOYSA-N 428.492 4.198 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Oc1ccc2oc(=O)oc2c1 799418679 NBNOZLUZCTWHSP-XNTDXEJSSA-N 447.515 4.035 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(CC(F)(F)F)CC3)c2C)c1 800741910 IXHXHGPHTRYQRV-UHFFFAOYSA-N 425.520 4.179 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 803029616 AMORCHFICSJPTF-XMSQKQJNSA-N 435.545 4.443 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 804067072 WIURAVBLFQHDFC-HXUWFJFHSA-N 446.494 4.316 10 20 IICD COc1cc(OC)cc(Oc2ccc(CNC(=O)NCc3cccc(OC)c3O)cc2)c1 807227504 YTVISALZMVSPFP-UHFFFAOYSA-N 438.480 4.210 10 20 IICD C[S@](=O)Cc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 807413900 YWCLNBYLZAXBDC-HKBQPEDESA-N 434.521 4.235 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C[S@](C)=O)cc2)cc1 807560702 VUSFMVHGGVHADB-HKBQPEDESA-N 439.581 4.136 10 20 IICD Cc1ccc(Cc2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)s1 809535530 MRJBKSRMJUCKSA-UHFFFAOYSA-N 433.536 4.265 10 20 IICD COc1cc(O)c(CN(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc1OC 809787834 KLBVVXOXPBLTON-IBGZPJMESA-N 433.854 4.031 10 20 IICD O=C1COc2c(cccc2N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)N1 811637174 VIHVXEIWSJGFNI-FQEVSTJZSA-N 441.447 4.177 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(C(C)=O)cc2)C1=O 814291879 CSPICXWYQPPZGI-GRSHGNNSSA-N 429.519 4.321 10 20 IICD CC(C)[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)N1CCOCC1 814771998 LFHDSZOUIZHOSB-ZKTNYTPDSA-N 446.619 4.488 10 20 IICD CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1F 863994774 KJCOGWNVLDSDTL-UHFFFAOYSA-N 433.471 4.125 10 20 IICD COc1ccc2c(c1)c1c(n2Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CCCC1 904545949 VYVUJPMNNVUJCP-UHFFFAOYSA-N 437.521 4.031 10 20 IICD Cc1cc(CC(=O)NCCNC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 915082453 MMVFZYBOVULFMV-UHFFFAOYSA-N 444.362 4.490 10 20 IICD CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 918032461 OCCLOJAHBWDKKA-UHFFFAOYSA-N 438.572 4.196 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 918429748 NZLDRTOJWKGVEG-UHFFFAOYSA-N 447.564 4.164 10 20 IICD Cc1nc(-c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)cs1 918457175 YQULMIZBPGUKFA-UHFFFAOYSA-N 434.565 4.314 10 20 IICD CCCCN(CCCC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919783251 HZBGBSZUORRWFY-UHFFFAOYSA-N 442.583 4.054 10 20 IICD CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 919897381 VXASCVWMDDTECA-UHFFFAOYSA-N 435.572 4.001 10 20 IICD C[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 920881202 RVFJUGTUJYCAIN-GOSISDBHSA-N 439.556 4.290 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)c1ccc(N2CCOCC2)cc1 1318838503 RDUHALKVNANWMT-QAPCUYQASA-N 435.977 4.082 10 20 IICD CN(Cc1cc(F)cc(F)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1320783140 PEAQPWLCHLCUCG-UHFFFAOYSA-N 425.426 4.377 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)C1CCN(C(=O)c2ccc(Cl)s2)CC1 1342952870 TUFJPLFIUSSZBI-UHFFFAOYSA-N 425.297 4.082 10 20 IICD CC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c2C)c1 13186980 OSUNCIURCUTMKX-UNOMPAQXSA-N 442.562 4.363 10 20 IICD COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NCc1c(C)c2ccccc2n1C 469918789 RAGAJJWZTXFDRQ-UHFFFAOYSA-N 436.556 4.432 10 20 IICD Cc1ccc(-n2ncc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c2C(C)C)cc1 472810931 YPZJVWKAAXSMFF-UHFFFAOYSA-N 443.551 4.359 10 20 IICD COc1ccc(N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C(C)C)cc1F 725816040 ZOUVIMPJXIXKPM-FQEVSTJZSA-N 428.504 4.184 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3)c2)cc1)C1CCCCC1 726295239 KROAUMNATSODMZ-UHFFFAOYSA-N 434.584 4.311 10 20 IICD CC/C=C\COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 727043487 AIYUCCVSISXTJP-ILYXIJEMSA-N 426.357 4.160 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCc1nccn1C 728745938 NBDLSXYDYQGFKR-SFHVURJKSA-N 431.462 4.415 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnc1-c1ccco1 731015715 BUGBQHPZGZHFOZ-UHFFFAOYSA-N 439.585 4.203 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F 731365037 ZWHLCVUNLYSHMI-SFHVURJKSA-N 436.572 4.118 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 731445888 HTMFKWVLCNUXMK-UHFFFAOYSA-N 429.369 4.044 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCCCCN2CCC(Cc3ccccc3)CC2)c1 731685703 CPFIUBDFUPVUFB-HXUWFJFHSA-N 439.600 4.496 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNc2ccccc2[N+](=O)[O-])cc1 731884539 BNQQXUDTJACLBF-UHFFFAOYSA-N 434.496 4.315 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 732896191 LQRGYTYYXSPQQX-NRFANRHFSA-N 433.512 4.044 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)cnc1N(C)C 733251186 GBKHBRQYLOJIOI-UHFFFAOYSA-N 431.378 4.173 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(OC(F)F)cc1 733836606 OJEPZLWTXDHSCG-LDRHYZDKSA-N 433.451 4.377 10 20 IICD CCC(C)(C)N(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 736018476 LAEKNMHHDLJJAR-UVTDQMKNSA-N 441.416 4.297 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1C(F)(F)F 743222499 IMLUGGYADZBOJL-INIZCTEOSA-N 434.462 4.037 10 20 IICD COc1ccc(Br)cc1C(=O)CCC(=O)NCc1c(O)ccc2c1CCCC2 743717014 GIVNSAKJWCVGCL-UHFFFAOYSA-N 446.341 4.321 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3O)C3CCCCC3)cn2)CCO1 745468085 NOCJSWQCBMVQNP-IBGZPJMESA-N 438.572 4.057 10 20 IICD CN(CCCOc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745906176 XYEVFRFCYKOICL-GOSISDBHSA-N 433.499 4.367 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] 749913443 RSBOWBMZQWZQCB-UHFFFAOYSA-N 443.809 4.034 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3CC(F)(F)F)c2C)cc1F 750959713 ZJNQLVSUNGLQEV-UHFFFAOYSA-N 427.427 4.065 10 20 IICD C[C@H](N[C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1ccc(N2CCOCC2)cc1 751596723 OZRGNTQNSDPOIJ-XKCSPQBFSA-N 447.579 4.171 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCc2cc(OC)ccc2C1 753293249 XOWMJHVCCAKPST-GOSISDBHSA-N 433.346 4.252 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3ccc(F)cc3O)c2)cc1 756583654 PONHSFVVXOXEAV-HNNXBMFYSA-N 430.501 4.192 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2ccccc2Cl)CCOCC1 761260069 ZWFLRVKANAUSRA-UHFFFAOYSA-N 449.334 4.212 10 20 IICD CCCc1c(C(=O)NCc2cccc(Br)c2O)cnn1Cc1ccccc1 765748028 UCLUIFYQPDDKJX-UHFFFAOYSA-N 428.330 4.282 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)n2)cc1 767670499 FBVROACLFLBNOQ-OAHLLOKOSA-N 448.541 4.474 10 20 IICD CCCn1c(CO)nnc1SCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C 769872960 GPNFINXMALBOHB-UHFFFAOYSA-N 430.599 4.285 10 20 IICD CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccc(Cl)cc1 769918645 YDOQEYNAAIKIFS-UHFFFAOYSA-N 438.959 4.496 10 20 IICD O=C(c1cccc(NCc2cccc(Br)c2O)c1)N1CCCC[C@@H]1CCO 770525472 XDAAPRWSEJHYPY-GOSISDBHSA-N 433.346 4.144 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 772256311 OTDAMQYHYQGWIK-FQEVSTJZSA-N 433.512 4.090 10 20 IICD C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 772949403 AWMCJONQRLAMSF-LJQANCHMSA-N 425.548 4.139 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(c1nccs1)C1CCCCC1 775254180 IMVTZHSANUROED-RTBURBONSA-N 442.629 4.385 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(N(C)C)cc1 776239251 SQPVHCNSFOEEPQ-MRXNPFEDSA-N 448.489 4.000 10 20 IICD C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(=O)c1ccc(O)c(O)c1 783176570 UZCSRNAOUAGKEH-LBPRGKRZSA-N 447.896 4.454 10 20 IICD CCNC(=O)COc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 783193284 DEDCPMBVURTOPO-UHFFFAOYSA-N 445.479 4.194 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccc(N)cc1 783487092 ULDXAOWITKMVRL-QGZVFWFLSA-N 443.482 4.327 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H](C)c3cc4ccccc4o3)cc2F)C[C@@H](C)O1 786446459 ZGNOZOVWAUCCAQ-KSZLIROESA-N 439.531 4.153 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1F 799925696 SZCSFVAOHHQWIY-QFIPXVFZSA-N 436.531 4.074 10 20 IICD CC(C)CCn1nccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800637317 WJBKMTLIBYEVSZ-QGZVFWFLSA-N 445.995 4.074 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1nc2ccccc2s1 804171398 GQIHDJCCKOCJGC-HNNXBMFYSA-N 435.505 4.001 10 20 IICD COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c(OC)c1 806170548 WAPHKRUYEFQSSR-PXAZEXFGSA-N 439.339 4.168 10 20 IICD O=C(Nc1cc(F)c(F)cc1N1CCOCC1)N(Cc1ccco1)Cc1ccccc1O 806718032 SEUNPSXRTOFGCB-UHFFFAOYSA-N 443.450 4.334 10 20 IICD Cc1cc(-c2csc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)n2)c(C)o1 806998189 FMNGTNYFLBPFDF-UHFFFAOYSA-N 440.569 4.462 10 20 IICD O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 807835951 CLJIWZHSGOMDCV-FQEVSTJZSA-N 443.330 4.357 10 20 IICD CCOCCCn1c(-c2ccccc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812198917 MDIVAIABLAXSIX-UHFFFAOYSA-N 449.599 4.405 10 20 IICD Cn1c(=O)c(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc2ccccc21 815714695 FIWFOJZIXOFSGQ-UHFFFAOYSA-N 439.475 4.209 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] 828576398 LKDLKVZYFJTRGD-QGZVFWFLSA-N 438.509 4.368 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=N)Nc3ccccc3OC(F)(F)F)cc2F)C[C@@H](C)O1 849107147 NSLSLBMTLDNDPR-ZIAGYGMSSA-N 440.441 4.474 10 20 IICD Cc1ccccc1[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917069663 DTGNLFHUYDVPAL-REHUZNOOSA-N 439.575 4.201 10 20 IICD CCc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)c1 917603805 WAAGEYICEIGOQC-XMHGGMMESA-N 436.537 4.410 10 20 IICD CCOc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918219173 GMIINMHYOAZEIR-HSZRJFAPSA-N 441.547 4.232 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 918306637 BVWKGSIGPSKBEM-UHFFFAOYSA-N 445.563 4.339 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCC2(CCOCC2)CC1 1319016537 LQGPOBPVKZWFSC-UHFFFAOYSA-N 425.367 4.426 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F 1321696541 PTUZXVXTNOEYAK-UHFFFAOYSA-N 446.887 4.469 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-c2ccccc2OCC)c1 1342915838 LUBYBAGGNGHYGM-NRFANRHFSA-N 449.503 4.068 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1-c1ccccc1F 105590796 NDGKWMSMHPRQDV-NRFANRHFSA-N 436.531 4.207 10 20 IICD Cc1cc(Br)ccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 108288399 DACKTTJJUJIQCR-GJZGRUSLSA-N 435.337 4.440 10 20 IICD CN(c1ccccc1)c1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cn1 435865042 NGERYURTGYGARF-GHRIWEEISA-N 425.448 4.412 10 20 IICD O=C1/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1CCc1ccccn1 726196949 HSFQZFKVVVYCSR-HZQOKBKYSA-N 426.563 4.083 10 20 IICD CCCC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 726246246 DRXGKJUCDMOLHU-OAQYLSRUSA-N 428.621 4.293 10 20 IICD Cc1cc(C(=O)NCc2nnc(S)n2C(C)C)c(C)n1-c1ccccc1Br 731440833 VTBUJDJOMMXGBY-UHFFFAOYSA-N 448.390 4.248 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCCCCN1C(=O)c2ccccc2C1=O 732419203 CDKIUJSGNXEOCB-UHFFFAOYSA-N 444.329 4.264 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 737118466 VUKFONVBDLATOB-UHFFFAOYSA-N 442.991 4.384 10 20 IICD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccc2c(c1)oc1ccccc12 738898248 CLEDNDRUURFWLY-UHFFFAOYSA-N 449.532 4.143 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C 741099881 KUFRQVWRVNJHDN-UHFFFAOYSA-N 442.519 4.122 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(F)ccc1Oc1ccccc1 741100299 YDSRXPVVPSEFOU-UHFFFAOYSA-N 431.467 4.249 10 20 IICD CCOc1ccc(CN[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c(O)c1 742391278 FZURQTINTRJDOS-XMMPIXPASA-N 441.549 4.082 10 20 IICD C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C(=O)N1c1ccccc1 743954978 NEDSSRVSUOPIMX-JTSKRJEESA-N 441.491 4.351 10 20 IICD O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCC(CO)CC2)cc1 745652119 KDONZIGUHFIFIT-UHFFFAOYSA-N 440.975 4.072 10 20 IICD C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1cccc(F)c1 746313772 NFTJUXFTTUVSFQ-YJBOKZPZSA-N 434.458 4.421 10 20 IICD CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCc1ccc(N2CCSCC2)cc1 746416695 ZNVLWNVBLWVSQY-UHFFFAOYSA-N 430.521 4.057 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(CCc1ccccc1)C1CCCC1 746947445 ZOGRATWBFYUBHO-UHFFFAOYSA-N 439.575 4.484 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 752702166 AMESHAIZPSRBSA-OAQYLSRUSA-N 443.613 4.071 10 20 IICD CCOCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C[C@@H]1CCCCO1 752852472 KTMNUXSSVQIEEK-QFIPXVFZSA-N 427.593 4.010 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(Oc2ccccc2Cl)CC1 754098861 FFDHBJPSIDWUEH-UHFFFAOYSA-N 447.938 4.069 10 20 IICD CN1CCCc2cc(CNC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)ccc21 763027830 CIKKTXIAQNLJGW-UHFFFAOYSA-N 439.918 4.441 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 764535546 RVIRRXGXPUHDNN-MJGOQNOKSA-N 447.938 4.154 10 20 IICD COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 767306428 ULNPLZOGJNVSCJ-HOIFWPIMSA-N 445.535 4.225 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](CO)c3ccc(Br)cc3)cc2)CC1 768068555 NHXLPQWAUKNKSI-OAQYLSRUSA-N 446.389 4.218 10 20 IICD COc1cc(O)c(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1OC 768444997 DJBAPUODTGDWQU-UHFFFAOYSA-N 449.345 4.023 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2)CC1 770143016 HUHVCVXHVVFCAP-UHFFFAOYSA-N 432.524 4.235 10 20 IICD Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cnn1C1CCCC1 773060462 YUCXUUQPFDYLPT-UHFFFAOYSA-N 437.588 4.330 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 777093434 UWFNOOUSALCUQA-UHFFFAOYSA-N 445.604 4.051 10 20 IICD Cc1cc(C(=O)Cn2ccnc2[C@H](O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 777522957 KCCUQYVNECCFHW-RUZDIDTESA-N 443.503 4.026 10 20 IICD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784062679 RAOZBJUQOJISCR-UHFFFAOYSA-N 441.553 4.299 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C(F)F 784108527 ZHZMYWPYVYGQMW-UHFFFAOYSA-N 433.503 4.221 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3c(Cl)cccc3Cl)cc2)CC1 786654960 AQJXJLOSNQIKIY-HNNXBMFYSA-N 434.367 4.082 10 20 IICD COc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 786759563 IRWGQYFYDBPWKD-DLBZAZTESA-N 443.975 4.079 10 20 IICD CCC(CC)[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 788234826 ODSARQCRHJJYQX-XMMPIXPASA-N 437.584 4.074 10 20 IICD CC(C)[C@@H](CNCc1cc(Br)cc(Br)c1O)c1ccnn1C 788267890 UUOWXDRRFOZCCM-CYBMUJFWSA-N 431.172 4.180 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 791251090 ZGAZRXJZLHKDDC-MOPGFXCFSA-N 430.495 4.457 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1occc1CSc1ccccc1 792738880 ZHOUEHOLXRTKOP-UHFFFAOYSA-N 438.549 4.453 10 20 IICD Fc1ccc(-n2nccc2CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 792918598 ALYRIYQBOQCZHZ-UHFFFAOYSA-N 434.437 4.157 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@]2(CCCOC2)O1 799994830 GOSATDZYFJYOII-IEGUWTFLSA-N 435.996 4.056 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2Cl)C1 800049800 WJOGDIUSFKCSEP-DLBZAZTESA-N 449.016 4.400 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2Cl)C1 800544024 SWQAPGCSGRHIRP-QFBILLFUSA-N 431.968 4.274 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)cc2Cl)C1 800545478 SMDUXIJBUVSOMU-HNNXBMFYSA-N 442.947 4.253 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1N1C(=O)CCNC1=O 800634613 LUZAVAVWZLLZOR-UHFFFAOYSA-N 434.471 4.240 10 20 IICD COc1cc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC 804916258 DBTNZTHWOPLFMF-SNVBAGLBSA-N 429.300 4.285 10 20 IICD O=C(NCCC1CCN(CC(F)(F)F)CC1)NCc1cc(Cl)cc(Cl)c1O 806910855 QXMDSOONSCLDRS-UHFFFAOYSA-N 428.282 4.163 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cccc(-c2cccnc2)c1 807685214 LPXTWEBNWMRPKL-UHFFFAOYSA-N 442.563 4.014 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1C1CCCCC1 810350349 IJURXHBUSJNTBO-UHFFFAOYSA-N 436.512 4.163 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=N)Nc3cccc(OC(F)(F)F)c3)cc2F)C[C@@H](C)O1 849083655 CHJSXJDWGSLRPA-ZIAGYGMSSA-N 440.441 4.474 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)c1 914851667 NQOWWKNZDBEBLS-UHFFFAOYSA-N 443.550 4.121 10 20 IICD CCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 916383316 CXOSKHPXXQTKOJ-UHFFFAOYSA-N 429.546 4.428 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)n1-c1cccc(C(C)C)c1 917088470 XQWUFSBVCAAWMT-UHFFFAOYSA-N 430.552 4.211 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1N1CCNC1=O 919708727 LNHKHLYIFXZBML-UHFFFAOYSA-N 432.524 4.026 10 20 IICD Cc1cc(Cl)ccc1OCCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919924065 NPTXQEPHTDJQMY-UHFFFAOYSA-N 449.954 4.017 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c(C(F)(F)F)c1 920787780 UGNBRHLBXKTRIN-UHFFFAOYSA-N 437.462 4.205 10 20 IICD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 1319938625 OIMOOHYZKYGCJG-KRWDZBQOSA-N 439.947 4.449 10 20 IICD CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1326477341 RCRNLNUKZZAROJ-UHFFFAOYSA-N 435.519 4.119 10 20 IICD O=C1N=C(N2CCCCC2)S/C1=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 26456082 RYSIIRQXHQZQPD-STZFKDTASA-N 429.549 4.450 10 20 IICD COc1cc(N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc(OC)c1OC 302163324 QEXCJIPRHMQIGE-UHFFFAOYSA-N 429.517 4.302 10 20 IICD Cc1c(CNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)n(C)c2ccccc12 471275054 AJLFRBKRXUOUFV-UHFFFAOYSA-N 445.567 4.095 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 488438817 YRHSJNNOGVLEQM-UHFFFAOYSA-N 437.540 4.257 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(COCc4ccco4)c3)CC2)cc1 726613423 MHZIBZKJPSQPDH-UHFFFAOYSA-N 449.551 4.473 10 20 IICD CCOCc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726613731 OCKSUNSVEDJRDM-UHFFFAOYSA-N 433.499 4.293 10 20 IICD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 727214830 LLDOYRBDTDCVLE-AWEZNQCLSA-N 431.419 4.094 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2F)nc1-c1ccccc1 727249554 ATLOTOVRBNTFAZ-UHFFFAOYSA-N 440.905 4.119 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1 727854985 CMZOEWBYGDDOPM-NRFANRHFSA-N 445.567 4.471 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc21 728638929 NFTMLXVYRYVYEZ-SJLPKXTDSA-N 440.515 4.466 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(=O)oc4cc(OC)ccc34)ccc21 728639196 NYVHRSGAHFOGLQ-UHFFFAOYSA-N 435.476 4.377 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1 729063057 HOZZZDOCYHGNMV-INIZCTEOSA-N 426.513 4.176 10 20 IICD O=c1cc(CN(Cc2ccccc2O)C2CCCC2)nc2ccc(Br)cn12 732204405 KMEZQBBCYSWKCV-UHFFFAOYSA-N 428.330 4.107 10 20 IICD CC(=O)N1CCC(COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 734889453 GKGYJOONHBTZQE-UHFFFAOYSA-N 433.346 4.272 10 20 IICD CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(Cl)cn1 736482436 SPTXWBZUDFQWLX-UVTDQMKNSA-N 437.999 4.441 10 20 IICD Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 742416553 CABCBKYGBJPCPW-KRWDZBQOSA-N 444.601 4.129 10 20 IICD Cc1nsc(N2CCCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)n1 742849327 LJURINBIMHTXGB-UHFFFAOYSA-N 429.977 4.260 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCn4c(nnc4-c4ccccc4)C3)c2C)cc1 743800873 FKOATXNBAOYSHW-UHFFFAOYSA-N 427.508 4.017 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 743807226 FATUIOJGMUBPIY-UHFFFAOYSA-N 443.345 4.285 10 20 IICD COCCCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 746340325 FGIKQUSZZPPNCF-LDADJPATSA-N 429.519 4.206 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 747420344 QFZLLKRJWWMJMN-UHFFFAOYSA-N 430.829 4.389 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)ccc21 748721259 HFXCGNSXLABWAD-UHFFFAOYSA-N 445.541 4.358 10 20 IICD O=C(CCc1cc(Cl)ccc1Br)NCc1ccc(N2CCOCC2)cc1 750863230 KTDWSZUSRWITBG-UHFFFAOYSA-N 437.765 4.188 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](C)c3cccc(N4CCCC4)c3)CC2)cc1F 755309678 FRMHZNCKMCUCED-GOSISDBHSA-N 426.536 4.027 10 20 IICD C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(Br)cc1O 756547323 ZQAYHXUDOZEHHB-GJZGRUSLSA-N 436.369 4.457 10 20 IICD C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cc(Br)cc(Br)c1O 756641294 SUUWJUWCILZTDI-OBPXBXINSA-N 427.136 4.226 10 20 IICD Cc1noc(C[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ccccc2)n1 758680529 ULUYSCVJFPFXBP-QHCPKHFHSA-N 433.556 4.398 10 20 IICD Cc1cc(C)n2nc(SCc3ccccc3C(=O)N(C)Cc3ccccc3O)nc2n1 761746431 VELHHLWVBIBAEG-UHFFFAOYSA-N 433.537 4.011 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N(C)C)c(F)c2)nnn1-c1cccc(Br)c1 765476210 QITVGNKEKGJMLT-CYBMUJFWSA-N 432.341 4.394 10 20 IICD CC(C)(C)OC(=O)NCC1(CC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 766157518 XSPDGFKYBBDVEQ-UHFFFAOYSA-N 445.604 4.005 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 766599476 JKEKDOBTRPZKFQ-GOSISDBHSA-N 434.418 4.202 10 20 IICD Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cnn1C1CCOCC1 767003666 QFPGSCMUUNSKCD-UHFFFAOYSA-N 439.487 4.129 10 20 IICD CCCc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n(C)n1 772534797 KRQHRPLUDIJHOD-QINSGFPZSA-N 434.612 4.054 10 20 IICD Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1-c1ccccc1C(F)(F)F 773008045 AYDMKGDHCHQOEC-OAHLLOKOSA-N 444.457 4.117 10 20 IICD Cc1nc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Br 773660673 PMNMWECCLUOAAC-UHFFFAOYSA-N 431.334 4.039 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(F)cc1OCC(F)F 774081898 MTMFGFHEXGHHQT-UHFFFAOYSA-N 425.476 4.345 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 788091769 XRMTWPIXUWUTRE-UHFFFAOYSA-N 445.544 4.133 10 20 IICD CN(C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 789728743 WANAOLXIGIQONF-UHFFFAOYSA-N 425.938 4.465 10 20 IICD C[C@H](NC(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccc(N(C)C)cc1 790523948 CFYGGORRNDKRCV-ZDUSSCGKSA-N 444.333 4.126 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(CCc4ccc(F)cc4)C3=O)cc2)CC1 790593304 ZAIGAKOBJXXHRW-PGMHBOJBSA-N 441.597 4.021 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](c3ccc(C)cc3)c3ccccn3)CC2)cc1F 792293738 JYZZMDRBFWQMSW-XMMPIXPASA-N 434.515 4.159 10 20 IICD Cc1cc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C=O 793570741 HLHRYZVFEMCHIF-JOCHJYFZSA-N 439.556 4.178 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1NC1CCCCC1 794986867 JGUAZTXJFFACHB-UHFFFAOYSA-N 425.548 4.461 10 20 IICD Cc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1N1C(=O)CNC1=O 796364428 UTSZPRMTTSSVNM-UHFFFAOYSA-N 426.520 4.226 10 20 IICD CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 797432766 RKUKAPCMCYLMKQ-KGVIQGDOSA-N 443.567 4.093 10 20 IICD CCCC(=O)NC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 799994963 VPAWYIGMDRYHPN-QGZVFWFLSA-N 435.012 4.167 10 20 IICD CCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 800719204 HXJGBXVKTCXRED-GOSISDBHSA-N 449.039 4.414 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@H](c3cncc(Br)c3)C3CC3)ccc21 806634813 LJYBWOUFJHZSFI-FQEVSTJZSA-N 429.362 4.177 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2cc(Cl)cc(C)c2O)N2CCOCC2)cc1OC 808672207 GNGJACLAVACSQC-OXQOHEQNSA-N 434.964 4.095 10 20 IICD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c2c(C)nn(C)c2n1 899631296 ZZIJBCQUPAIRMJ-UHFFFAOYSA-N 434.471 4.171 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCNC(=O)C1CC1 915906534 SMSQALNDTLADKD-LJQANCHMSA-N 448.489 4.007 10 20 IICD Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)n1 916488167 STUZUCVJBZNBSB-XMMPIXPASA-N 448.567 4.128 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 916502765 WDXPJLPMNLCAPW-UHFFFAOYSA-N 435.528 4.233 10 20 IICD Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917713305 KTNNPQNBDCHLFU-KBPBESRZSA-N 429.517 4.394 10 20 IICD COc1ccc(C(=O)CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918633782 OIMKVVJXUNTRBI-ROUUACIJSA-N 442.531 4.117 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)c2C)cc1 919893638 MQTHEYZDPPLNSI-UHFFFAOYSA-N 437.565 4.199 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(C)cc3OC[C@@H]3CCCO3)CC2)cc1 919912535 MLPIMDGGUSOKJL-QFIPXVFZSA-N 439.556 4.306 10 20 IICD Cc1oc2c(CN3CCN(C(=O)CC(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 1317893831 NYPCPSRQHQFZGM-UHFFFAOYSA-N 434.536 4.164 10 20 IICD Cc1cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)c(C)n1-c1ccccc1Br 1321531091 PVGULWOEHCSNJJ-MRXNPFEDSA-N 443.345 4.342 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 38398267 ICWOEXSNKXZMQZ-QHCPKHFHSA-N 425.623 4.482 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2F)C[C@H](C)O1 72002843 WUEGZIXXAHNGOY-IRXDYDNUSA-N 429.511 4.453 10 20 IICD CN(C)c1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 237133437 VOCYQYDIMPUZRU-HSZRJFAPSA-N 430.520 4.314 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccsc3)no2)cc1 302772738 RKIOFDUDHXRCSV-HXUWFJFHSA-N 440.569 4.005 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)ccc21 578629328 PZVZSLZLZHNTOU-UHFFFAOYSA-N 443.494 4.272 10 20 IICD Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 725864363 OMWOHIPHQXABMS-IRFCIJBXSA-N 425.548 4.447 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 727359442 RZFVSYLTQGCVIF-UHFFFAOYSA-N 425.341 4.105 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1F 731346916 BIFHWZURGYBTDJ-UHFFFAOYSA-N 436.531 4.038 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3ccc(Cl)cc3Br)CC2)cc1 733220619 ZRYFFBSPVUFUMG-UHFFFAOYSA-N 437.765 4.439 10 20 IICD Cc1noc(C)c1[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 733764775 PFIDPKDFLHQYDD-KBVGCWLLSA-N 435.596 4.212 10 20 IICD O=C(COc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1)Nc1ccccc1 741059863 BARIHGDLFUTXMX-UHFFFAOYSA-N 442.519 4.402 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@H]1c1cccc(F)c1F 741541987 OKLLAXVYSUUVDU-DLBZAZTESA-N 440.412 4.240 10 20 IICD Cc1cc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1 742907203 WFIYEOWNGIVVLH-FQEVSTJZSA-N 440.569 4.026 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2F)C[C@@H](C)O1 743102004 IQVTXAYJMIEDGR-IYBDPMFKSA-N 427.520 4.345 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 743283424 BELCBVRTNNURCO-BJLUOBIUSA-N 425.575 4.471 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(c2ccccc2OC)CC1 745792879 PKJYIEPLDUYDLN-UHFFFAOYSA-N 433.346 4.427 10 20 IICD O=C(NCCc1ccccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 747305614 AAFLBNRLBZLVSS-GOSISDBHSA-N 433.346 4.088 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 747389778 POKQITJQSRUODX-CJFMBICVSA-N 437.584 4.411 10 20 IICD COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 747855527 ONPRJAQZRXCOMQ-UHFFFAOYSA-N 437.568 4.088 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 751211436 QNUIFXVKDBQMKI-UHFFFAOYSA-N 430.960 4.117 10 20 IICD CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 752715812 AMSWWSPXOLLQIR-FQEVSTJZSA-N 438.572 4.025 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1 752908725 DUPZMESYQMEFQI-GBXCKJPGSA-N 449.551 4.123 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 753040007 DWSMVNHTXGTWQQ-REWPJTCUSA-N 425.598 4.207 10 20 IICD CC(=O)Nc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc(C(F)(F)F)c1 760385146 UGGXDMMQMKBUCL-UHFFFAOYSA-N 437.487 4.147 10 20 IICD CCOc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OC(F)F 761001745 ZFCRKMRWFJTUEG-UHFFFAOYSA-N 440.830 4.010 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)n1CC(F)(F)F 761979786 IHLDLKPSKHNGBA-QGZVFWFLSA-N 443.897 4.421 10 20 IICD COc1ccc([C@H](C)[C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765279487 GSSGDUWVEJOIRI-UXHICEINSA-N 449.574 4.233 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4ccc(Br)cc4)C3)CC2)cc1 765701612 BLQMGTHBSACQRI-LJQANCHMSA-N 430.390 4.295 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)c(-c4ncco4)c3)cc2F)CC1 766143366 CEWKKNZEYWPAPW-UHFFFAOYSA-N 437.519 4.253 10 20 IICD Cc1nn(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1-c1ccccc1 767781377 MBMFDYHFAPCUIL-DEOSSOPVSA-N 432.568 4.132 10 20 IICD Cc1ccccc1CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1 769670714 GMHOMSRCOXTXEM-UHFFFAOYSA-N 442.562 4.368 10 20 IICD COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773019532 YOBSCUFIYIWYHS-CQSZACIVSA-N 433.346 4.364 10 20 IICD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 774208927 LBNCZEPYAVSJQH-ATZDWAIDSA-N 435.475 4.135 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(OC)cc1 775225047 ZYNULTZTXVHCJF-DEOSSOPVSA-N 449.551 4.151 10 20 IICD CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 787988269 YPOOERPAXJGPPM-HNNXBMFYSA-N 446.381 4.173 10 20 IICD Cn1nc(Br)cc1/C=C1\SC(=S)N(CCCCC(F)(F)F)C1=O 794861075 DRIYWUJNJOPLNY-TWGQIWQCSA-N 428.299 4.116 10 20 IICD CSC1(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCOCC1 799983417 ZVAYACCCKXCXEX-INIZCTEOSA-N 426.026 4.288 10 20 IICD C[C@@H](NC(=O)NCCn1ccc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1 804989696 OZRJMFJULZKXMK-QGZVFWFLSA-N 426.948 4.192 10 20 IICD C[C@@H](Cc1ccc(F)cc1Br)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 808380926 IUENLFNXTGWOQK-MAUKXSAKSA-N 448.380 4.011 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813646074 FTGMIFNMWNWTAI-IBGZPJMESA-N 430.593 4.182 10 20 IICD CC(C)NC(=O)NC(=O)[C@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772271 RSGXZWDKCLHSRC-UXYFDLPDSA-N 433.580 4.228 10 20 IICD O[C@H](COc1ccccc1F)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 836232432 ANVQDKXQDZPPNH-MOPGFXCFSA-N 428.529 4.400 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C)n1-c1ccccc1 915749464 WOMUNCNLFRQONI-UHFFFAOYSA-N 442.519 4.410 10 20 IICD Cc1ncc(CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 916506860 QPCWYNBVMYDYLI-OQLLNIDSSA-N 437.637 4.153 10 20 IICD Oc1ccccc1CN(Cc1ccco1)C[C@H](O)COc1ccc(Br)cc1 916633199 PHAXXUCZHHQNQH-SFHVURJKSA-N 432.314 4.190 10 20 IICD CC(=O)c1ccc(OCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917714395 VJPWGEYYVDBLMC-ROUUACIJSA-N 442.531 4.117 10 20 IICD CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C 918048184 OZESMVWRVBNVTG-HZPDHXFCSA-N 442.535 4.336 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)cs1 918456979 XBZOWLDLAYELTC-UHFFFAOYSA-N 434.565 4.314 10 20 IICD COc1ccc(N2CCN(C(=O)COc3ccc(C4SCCCS4)cc3)CC2)cc1 921234526 KCDBXSZABOZPPS-UHFFFAOYSA-N 444.622 4.292 10 20 IICD C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1noc(-c2ccc(Cl)cc2)n1 1324349793 HCFFLQRRKXHUCP-HNNXBMFYSA-N 429.927 4.132 10 20 IICD Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1Cc1ccc(C(F)(F)F)cc1 1329520352 XBFRNXGFCCMAMV-UHFFFAOYSA-N 436.781 4.096 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3CCCC4)n2)cc1 1339890409 FNEXBMUBTCHZDF-UHFFFAOYSA-N 441.578 4.126 10 20 IICD C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1789584134 YDSVNJIWUJHROG-NTCAYCPXSA-N 447.491 4.245 10 20 IICD CCc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)no1 1800513389 HXBCRYVTDNSCBE-QQFNCUIESA-N 446.551 4.210 10 20 IICD Cc1cc(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1 97569863 GMJJBWGYXHFYEK-OAHLLOKOSA-N 445.972 4.228 10 20 IICD CCOc1cc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OC 302636975 RZZWDPUJOPTWSH-MHWRWJLKSA-N 447.354 4.114 10 20 IICD Cc1cc(Br)ccc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 302834592 VQNAZDFXZWPEIA-SFHVURJKSA-N 433.346 4.083 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCC(N(C)C)CC4)cn3)ccc21 478310519 JJIBWMHYQKLQSS-UHFFFAOYSA-N 449.599 4.082 10 20 IICD Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 726259935 JKPHIJBWCVTRFH-GOSISDBHSA-N 445.947 4.073 10 20 IICD CCC(CC)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 729433754 SSEAPIKAEAURSH-DHDCSXOGSA-N 441.416 4.203 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)cc2)C1 730481872 MUVMCQPNNVMHHD-CDHQVMDDSA-N 446.378 4.115 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1F 731347200 QDBLMSZLECLNJO-GOSISDBHSA-N 444.526 4.371 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(Br)cn3)SC2=S)c1 733813550 VBUCEJHBZWMVCS-CHHVJCJISA-N 437.340 4.267 10 20 IICD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCSc3nccs3)cc2[N+](=O)[O-])C1 733971721 CQFRLYSEMODEBN-HUUCEWRRSA-N 434.587 4.446 10 20 IICD COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCSc2nccs2)cc1 733973356 GIVPYIDYRZZZMJ-UHFFFAOYSA-N 427.551 4.316 10 20 IICD Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1C 734410147 AIGNCKPCQVRWAW-HNNXBMFYSA-N 428.444 4.478 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 734525711 QHINDDFHBGKENJ-UHFFFAOYSA-N 431.462 4.265 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccc(F)cc1)CC1CC1 734660269 NUARJOXIDSFGBT-UHFFFAOYSA-N 429.511 4.048 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 740914734 FBQWEDKEAPMAOI-NRFANRHFSA-N 442.966 4.319 10 20 IICD C[C@@H]1CCC[C@@H](OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 742754191 NNLXOQYNVNZSLL-DUXKGJEZSA-N 433.593 4.030 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2ccc(F)cc2)n1 742800751 LZGVDZORTHMLCW-MRXNPFEDSA-N 430.430 4.012 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n1 742801925 UPERWDFOUAFQDW-LJQANCHMSA-N 440.494 4.489 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 745593721 UZUZLVNLJNPLSO-UHFFFAOYSA-N 426.630 4.426 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3-c3nc(C4CC4)no3)CC2)cc1 746747376 WLDXCBUOAAWMFM-UHFFFAOYSA-N 437.475 4.116 10 20 IICD COc1cc(-n2cccc2)c(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 750724833 HNIWDECSEZWGBC-UHFFFAOYSA-N 443.906 4.045 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 756454952 GRYZTVFMGJRJHC-LSDHHAIUSA-N 433.346 4.118 10 20 IICD CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCCCSc1nccs1 759603243 RMCDFIIGBIQQHF-UHFFFAOYSA-N 433.578 4.429 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C(F)F 760177681 MMYQOHPQOIRJGB-INIZCTEOSA-N 440.922 4.230 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(=O)(=O)CC)c3)n2)s1 760304904 LPSMDUYRBVBTJG-UHFFFAOYSA-N 442.609 4.028 10 20 IICD CCC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCc2sccc2C1 765658860 QNRKRBQQQAZCNZ-UWJYYQICSA-N 445.604 4.128 10 20 IICD CC[C@@H](CSC)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 773972063 JCYQSOOYPCIIHI-WZMONFQBSA-N 428.670 4.330 10 20 IICD COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(F)(F)F)cc1 775992480 SOMUTHJAPCYRPB-MGPUTAFESA-N 437.462 4.196 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC(Cc2ccccc2)C1 779081336 RLPRJJBQFBIWDO-CPNJWEJPSA-N 442.631 4.431 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(F)ccc2Br)cc1 784109770 XRLTUKOTHPYTGX-UHFFFAOYSA-N 434.309 4.332 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]21 784223791 TZZYCHAYBVQKSB-CEMLEFRQSA-N 442.604 4.122 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1F 789895544 FGJDPORJADNOPW-KRWDZBQOSA-N 427.520 4.110 10 20 IICD COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 795591216 AGKSPMGBSMTAGR-HNNXBMFYSA-N 433.346 4.094 10 20 IICD O=S(=O)(NCc1ccco1)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1 796384709 XNNLUWMQHIVWFX-UHFFFAOYSA-N 425.554 4.361 10 20 IICD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 797575730 KDVVCWOXDWVWHK-XKGZKEIXSA-N 445.357 4.401 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1OC 799183354 LDPGZCFLHQXAAQ-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CN(C)Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1Cl 799261713 BBOGFTZQPQCSRS-UHFFFAOYSA-N 428.964 4.146 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cnn(CC(F)(F)F)c3)cc2Cl)C1 799952622 OHMGGGJPGJMLEJ-CQSZACIVSA-N 443.901 4.335 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCC(NC(=O)C4CC4)CC3)cc2Cl)C1 800048431 AXOUYVZCJHUXLL-PPDQVPDSSA-N 432.008 4.278 10 20 IICD CC(C)(C)OC(=O)N1CCC(COC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 800198250 OTMVPFRDATWNFR-UHFFFAOYSA-N 431.558 4.120 10 20 IICD CSc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 807669255 GICVAHIMIWJCPJ-UHFFFAOYSA-N 426.582 4.134 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1nn(-c2ccccc2)cc1C 819518934 LAPMHUMSDKCKLO-UHFFFAOYSA-N 434.540 4.183 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(C)n2)sc(C)c1-c1ccccc1 905888110 AYQRDHRWFOJLPB-UHFFFAOYSA-N 438.505 4.399 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 914455097 KIGMEOHBQOWRJT-IBGZPJMESA-N 435.499 4.067 10 20 IICD Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2ccc(O)c(O)c2)cc1 917371586 IDBHJUIYJGGAHL-UHFFFAOYSA-N 427.504 4.291 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2cnn(C(C)C)c2n1 917715616 RYLDWIQKMDDAQH-IAGOWNOFSA-N 439.535 4.003 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2)cs1 918140699 OECHMETVFVTRCG-OKILXGFUSA-N 428.533 4.129 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918208895 JESBFEWXDNQBCO-OWCLPIDISA-N 433.499 4.147 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc2ccccc2n1C(F)F 920869723 WGTQNJUYUWTDFS-CVEARBPZSA-N 443.498 4.389 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1116118975 CGVFXGDBQGPREN-DEOSSOPVSA-N 427.552 4.184 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCCCO2)cc1 1116960153 MOJXGTHOSJWQBL-JOCHJYFZSA-N 434.588 4.392 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)ccc2Br)cc1 105002381 XFPMDRDHOSIUTL-GOSISDBHSA-N 435.337 4.476 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)c(OC)c1 108006121 PWCBXOQXKNWTNU-QFIPXVFZSA-N 441.597 4.304 10 20 IICD O=C(Nc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1)c1ccc(F)cc1 237819125 XIZRPTFEMIZXOJ-UHFFFAOYSA-N 437.490 4.344 10 20 IICD Cc1c(CNC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n(C)c2ccccc12 436992507 WTFJIPYRUYGPGZ-QHCPKHFHSA-N 441.531 4.370 10 20 IICD O=C(CSc1nc2ccccc2o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565197 GHAKEABAFIJIGR-UHFFFAOYSA-N 433.480 4.307 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cc(OC)ccc2OC)C1=O 726624800 AGRCDDMBKVDGEX-ZDLGFXPLSA-N 446.506 4.417 10 20 IICD Cc1cc(C(=O)COC(=O)CCCc2ccc3c(c2)CC(=O)N3)c(C)n1-c1ccccc1 729757486 BWYOLNMJFPOAOW-UHFFFAOYSA-N 430.504 4.338 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3C(=O)c3cccs3)cc2)CC1 731016423 QHBAUDXCNKOPEK-OAQYLSRUSA-N 425.598 4.296 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCc3cccc(Br)c3)CC2)cc1 731220949 BHKUYSIRVHNBSR-UHFFFAOYSA-N 446.389 4.359 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 731284152 YKBOCFNPIOQINE-GOSISDBHSA-N 432.362 4.355 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCCC(=O)N3CCc4ccccc43)cc2)CC1 732248542 ZPLGUVYAVGVDMU-UHFFFAOYSA-N 434.584 4.092 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(Br)ccc1F 732436023 XEMDFEIAEGIWOT-UHFFFAOYSA-N 436.325 4.119 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(F)cc1F 732526290 YRWPRBQSWMDXSS-UHFFFAOYSA-N 444.868 4.329 10 20 IICD Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 734942820 RIZHNNTYHUGUQS-HSZRJFAPSA-N 443.588 4.095 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(COc4cccc(F)c4)c3)c2)CC1 739768362 QILNHCUIAFPVJH-UHFFFAOYSA-N 447.510 4.359 10 20 IICD O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 741136494 CWSPDEXCLIKKSS-UHFFFAOYSA-N 435.914 4.221 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cc1 742749701 KLWPHDSJPGCUQE-OAQYLSRUSA-N 436.556 4.240 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1SC(F)F 742799934 OAWGLFFEFBUJSQ-GFCCVEGCSA-N 429.439 4.397 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC[C@H]2CCCO2)cc1 742800408 QZHOTAQWQHFLLP-XMSQKQJNSA-N 446.494 4.245 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cs1 743046513 VMSDMMOEOCVJGT-UHFFFAOYSA-N 426.566 4.181 10 20 IICD O=C(Nc1ccc2oc(=O)ccc2c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743128171 LRYUZDIGEBKZCE-MRXNPFEDSA-N 429.423 4.185 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)N(C)Cc2ccccc2O)sc(C)c1C[C@@H](C)CC 743892360 AKOXZKJHGDHEHG-AWEZNQCLSA-N 446.569 4.125 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1Cn1cccn1 745409466 YEXLXGIWMZTGAF-UHFFFAOYSA-N 443.345 4.131 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Oc1ccccc1OC 745901297 GPZZSJBKXHOEAT-CQSZACIVSA-N 437.334 4.162 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(Oc4ccccc4)nc3)CC2)cc1 749421553 UKFQQSZBGCXISC-UHFFFAOYSA-N 432.524 4.304 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 749730027 GSIPFCZOBDHQNP-UHFFFAOYSA-N 445.541 4.098 10 20 IICD COC(=O)c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1Br 754855210 WZUKDVCJLSNXDV-UHFFFAOYSA-N 436.375 4.049 10 20 IICD Cc1cc(C(=O)COC(=O)c2cncc(Cl)n2)c(C)n1-c1cccc(Br)c1 758636148 AMKOUQBOKBMKOW-UHFFFAOYSA-N 448.704 4.340 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 758738139 AZZOXRCZUMASFM-UYAOXDASSA-N 449.498 4.148 10 20 IICD CCn1c(CSc2ncc(C(C)(C)C)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 759712888 BQYZWZIYTAGMQY-UHFFFAOYSA-N 438.644 4.353 10 20 IICD C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 759713697 LCJTWIDSSVIKSF-SECBINFHSA-N 431.505 4.093 10 20 IICD CC1CCN([C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2cccs2)CC1 760947370 FIQAFOHHFFTWHI-SFHVURJKSA-N 447.988 4.345 10 20 IICD COc1cc(Cl)cc(CNCCC(=O)Nc2ccc(Br)cc2C)c1O 761217987 ZVQXTMMYTFVYLQ-UHFFFAOYSA-N 427.726 4.244 10 20 IICD Cn1c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccc(Cl)cc21 763454892 SBAYGJGHBFAKAB-UHFFFAOYSA-N 438.881 4.372 10 20 IICD CCS(=O)(=O)c1ccc2oc(/C(Cl)=C\c3ccc(N4CCOCC4)cc3)nc2c1 764437775 JEDIBBWRRFIMGO-QGOAFFKASA-N 432.929 4.195 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cccc12 766742554 SXTBKGGNHVJBGM-UHFFFAOYSA-N 439.537 4.059 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2cccc(F)c2C1 768070418 NKLABLOMYMFBOE-LDADJPATSA-N 446.594 4.454 10 20 IICD COc1ccc2c(c1)OC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C2 768113818 SSVDZMYABBDBOQ-FQEVSTJZSA-N 435.524 4.070 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc2cnn(C(C)C)c2nc1Cl 769381559 PUEFPOFFGHNLCZ-UHFFFAOYSA-N 437.327 4.200 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1c1ccccc1 769636872 MDTGWNTYRPIDGJ-GOSISDBHSA-N 428.535 4.232 10 20 IICD CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772169554 KPTVTGVQADMSRS-FQEVSTJZSA-N 443.573 4.039 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775138174 OLQFLHQROVYOBG-WFXMLNOXSA-N 448.523 4.019 10 20 IICD Cn1cc(-c2csc(NS(=O)(=O)c3ccc4cc(Br)ccc4c3)n2)cn1 775159614 OKCZFHCSEMXAOO-UHFFFAOYSA-N 449.355 4.260 10 20 IICD COc1ccc(Cl)cc1N1C(=O)/C(=C/c2cc(Br)nn2C)SC1=S 779220664 GGPUJFAFLONJHD-SDQBBNPISA-N 444.763 4.250 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)c1 782424887 CYIQVHHGTMRMCT-UHFFFAOYSA-N 435.524 4.220 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 783832823 XPLBKGMNTLTGIC-UHFFFAOYSA-N 449.941 4.158 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1Oc1ccncc1 787501704 MODOBGBOFDWWTF-UHFFFAOYSA-N 431.492 4.022 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cc(Br)cc(C)c1O 797037997 MCNPPIBUHBIKHX-GFCCVEGCSA-N 428.348 4.189 10 20 IICD COC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1OC 797672785 COEMFEIQMQDCOR-UHFFFAOYSA-N 437.496 4.375 10 20 IICD Cc1cnn(-c2c(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)c(C)nn2C)c1 800048558 FCHCMNVKVXQPCC-HNNXBMFYSA-N 440.979 4.042 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)CC2)cc1 800563221 VWQCJMVBTAJHKA-UHFFFAOYSA-N 448.489 4.364 10 20 IICD C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 806494217 NDJKJMBAEUGXGF-WNOPAQSVSA-N 434.584 4.071 10 20 IICD COc1cc(O)c(CNc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1OC 812784718 FEILMGLQKIITEK-UHFFFAOYSA-N 430.501 4.151 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 818460763 IYTQSGIJGMROEX-OJNAHLGYSA-N 432.636 4.234 10 20 IICD CON(C)S(=O)(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 863992619 GUZHWJDSLREOPL-UHFFFAOYSA-N 437.565 4.043 10 20 IICD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3ccc(N4CCCCC4)cc3)cc2)C1 916837576 OWIWLJKXAKFUIN-NRFANRHFSA-N 441.641 4.387 10 20 IICD CN(Cc1ccccc1O)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 917312111 ODUGQGANJIPLLE-UHFFFAOYSA-N 440.341 4.491 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccs1 917386941 QHPGDUPFKYLBID-UHFFFAOYSA-N 437.590 4.484 10 20 IICD Cc1cccc([C@@H]2CCCN2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 917833726 NIWFPMASJKBMHU-REHUZNOOSA-N 439.575 4.201 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3N3CCCCCC3)cc2)C1 918029984 JHEWHWMNTDIMQK-OAQYLSRUSA-N 449.599 4.090 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc2)C1 918118292 XZYYUJRQKZURBO-UGKGYDQZSA-N 440.975 4.088 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3csc(-c4cnn(C)c4)n3)c2C)cc1 919425277 LBYNHSUUFWARJZ-UHFFFAOYSA-N 434.521 4.299 10 20 IICD Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(Br)cc1 12831983 PYJMXQNQTAENNL-UHFFFAOYSA-N 425.286 4.279 10 20 IICD COc1ccc(OC(F)F)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 237369301 IHVWEIGSERFZTM-UHFFFAOYSA-N 446.416 4.442 10 20 IICD Cc1c(CNC(=O)CCCC(=O)NCc2c(C)c3ccccc3n2C)n(C)c2ccccc12 471234940 LWYMSMUIUWDHAH-UHFFFAOYSA-N 444.579 4.390 10 20 IICD O=C(NC[C@H]1CCN(c2ccccc2)C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611437 QQIRSQFZCZPNON-GOSISDBHSA-N 444.526 4.083 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)c1 726625392 HFVAJZDWZQZLNX-HMASQMOLSA-N 443.546 4.442 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)c1 728176067 MQRHKPNJEXAJEM-CAOOACKPSA-N 425.466 4.115 10 20 IICD Cc1nc(-c2ncccn2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 728837068 LOPODUUGUIRSBW-UHFFFAOYSA-N 435.475 4.179 10 20 IICD CN(C)c1ccc(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1F 730107092 ZSUKWYBYVFRJST-UHFFFAOYSA-N 432.565 4.334 10 20 IICD COc1cc(Cl)ccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 730828024 KDQMXHKBPMIOCJ-UHFFFAOYSA-N 439.890 4.418 10 20 IICD Cc1csc([C@](O)(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C(F)(F)F)n1 731015607 XYYVCYYQRHONAS-HXUWFJFHSA-N 441.519 4.144 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1cccc2ncccc12 731343640 YXKZFWVYCAISEW-UHFFFAOYSA-N 426.524 4.044 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccccc3SCCC(N)=O)cc2)CC1 731754544 PBNGMYIAPREHMY-UHFFFAOYSA-N 426.586 4.212 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)C2CC2)cc1 734392931 PTTHQXXEOFSZNU-GGAORHGYSA-N 425.960 4.117 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)cc1 737175194 VNANFQJEKBBFGZ-UHFFFAOYSA-N 445.519 4.211 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3cccc(Br)c3)CC2)cc1 741921503 TUVJIMLULAYOOG-HNNXBMFYSA-N 433.346 4.010 10 20 IICD CCN1CCN(c2ccc(CNC(=O)/C=C/c3cnc(C(C)(C)C)s3)cc2F)CC1 742644378 DTKWHJLSLGLPJS-VQHVLOKHSA-N 430.593 4.051 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(CNC(=O)OC)cc1 743160600 ZBKPWSHOMIKRHB-UHFFFAOYSA-N 436.306 4.065 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3O)c2)cc1C 748352760 FVMTVBPMIYTILZ-UHFFFAOYSA-N 444.940 4.393 10 20 IICD Cc1sc2nc(CCC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nc(O)c2c1C 748714861 QJLJCZIVIQVHQN-UHFFFAOYSA-N 426.586 4.450 10 20 IICD Oc1c(Br)cccc1CNCCCOC1CCN(Cc2ccccc2)CC1 749111251 ZRHHPVDIRFCDJO-UHFFFAOYSA-N 433.390 4.316 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1cccc2cnccc12 751300260 USUYDCQXRUIKAW-UHFFFAOYSA-N 446.474 4.086 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 751302565 NNLBZXRUOMZACR-HNNXBMFYSA-N 431.883 4.041 10 20 IICD Cc1noc(C)c1[C@H](C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 752294628 ZSHYQHYRJKPFDM-HMHNVIDESA-N 449.623 4.254 10 20 IICD COCCc1noc(-c2cc(Cl)ccc2NC(=O)N[C@H](C)c2cc(OC)ccc2O)n1 753557547 PNFHAOQGHQNWOD-GFCCVEGCSA-N 446.891 4.176 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1F 753820562 AWNUTEFGNTUMRD-CQSZACIVSA-N 447.461 4.172 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 756608738 LLUNAYYAHPCNTC-CMJOXMDJSA-N 429.513 4.384 10 20 IICD C[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)c(F)cc1O 756650157 LPHXJCSZPTXLIH-ZBFHGGJFSA-N 435.337 4.178 10 20 IICD CC(C)(C)S(=O)(=O)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 758423084 HRXUYCIHGJGOJU-UHFFFAOYSA-N 439.528 4.336 10 20 IICD Cc1noc(C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc2)n1 759867443 ITYUVFFPYJWVQV-OAQYLSRUSA-N 432.480 4.372 10 20 IICD COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc(Cl)cc(OC)c1O 761205038 PZWGHEKPPFWAIS-MRXNPFEDSA-N 428.710 4.163 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 761971774 BOHHGRMYAOXEOI-CIXMBVFMSA-N 442.943 4.326 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc2)CC1 765792012 VJOBSKVOCNPSEB-SFHVURJKSA-N 425.520 4.088 10 20 IICD O=C(CSc1nnc(CN2CCCC2=O)o1)Nc1ccc(N=Nc2ccccc2)cc1 767117089 BFGJUOIOMNPWQA-UHFFFAOYSA-N 436.497 4.338 10 20 IICD COC[C@@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 767248207 FXJVBQDSNBAMKQ-UHVIJJLKSA-N 438.640 4.005 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 768034228 JNPPAIGWCJAUBB-UHFFFAOYSA-N 440.931 4.126 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O 772118702 BQCGOXUJSZUQRU-SFHVURJKSA-N 448.285 4.315 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 775136693 FWLSSPQRPONKKD-ISVAXAHUSA-N 447.089 4.052 10 20 IICD C[C@H](NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775255407 OMJKNHRGLPDYRW-JKSUJKDBSA-N 436.383 4.358 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 775372671 FYWNCXQTKYAGKJ-CQSZACIVSA-N 425.510 4.004 10 20 IICD CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 775435044 PMXBZSCSNWAPNL-UHFFFAOYSA-N 437.477 4.301 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccccc1O 776011333 SXZUKMGRDLTCAF-IBGZPJMESA-N 449.526 4.003 10 20 IICD O=C(NCCCSc1nccs1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 779353210 YVXYJRNBIUDDHJ-UHFFFAOYSA-N 448.595 4.248 10 20 IICD COc1cc(OC)c(OC)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783486637 QMHCJNWRRZDDEY-MRXNPFEDSA-N 449.507 4.028 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)nc1Br 793036444 VNMHIYSVNGKXMW-UHFFFAOYSA-N 446.345 4.158 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(Oc2ccccn2)c1 797744868 XNHFOCODNHYLQZ-UHFFFAOYSA-N 427.844 4.352 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 799260996 INNSUFCKQAMSJW-INIZCTEOSA-N 448.479 4.309 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 802610254 XISQRMFQEZDQLA-UHFFFAOYSA-N 445.510 4.428 10 20 IICD CN1CCC(Oc2ccc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)CC1 805473542 HBZUZRUUMSXCQY-UHFFFAOYSA-N 438.355 4.171 10 20 IICD C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 812800491 YBSSVZDIGKAKMF-SFHVURJKSA-N 437.544 4.356 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1OCC(F)(F)F 916673864 PHLWBAVEOUBCMU-UHFFFAOYSA-N 441.425 4.050 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3CCc3ccccc3)cc2)C1 917832106 JHHDSNDBUZKLPA-XMMPIXPASA-N 441.575 4.104 10 20 IICD Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1ccccc1Br 918067751 RZGMNESWIOZYIT-UHFFFAOYSA-N 442.361 4.005 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOc2ccccc2C1 918663562 RDLDWPUXCSJFGF-AQTBWJFISA-N 444.603 4.151 10 20 IICD Cc1cc(CC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccc(Cl)cc1 918697094 KRUUHYBBOALUEJ-MRXNPFEDSA-N 427.898 4.290 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCc1cnn(C)c1 919792811 IJBWGDIXEMNHST-LJQANCHMSA-N 431.462 4.415 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OCC(=O)N(C)C)c1 919914669 TZMKYVRQBSJAJQ-UHFFFAOYSA-N 438.572 4.116 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1cccs1 920090286 KSSHFFYRUSMBCH-QZTJIDSGSA-N 433.593 4.028 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3-c3nc(C(C)(C)C)no3)CC2)cc1 1320023131 BEAXVIXYEFXCBL-UHFFFAOYSA-N 434.540 4.395 10 20 IICD Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1788695411 RBFCZZMPFNGZTR-ONNFQVAWSA-N 448.475 4.166 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3C[C@H]3F)[nH]n2)cc1 1821157500 KFKBDLFSZJCWSA-TUNNFDKTSA-N 449.530 4.481 10 20 IICD Cc1ccc(NC(=O)CSCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 27157032 LDWDKVOTGHIJQZ-UHFFFAOYSA-N 425.598 4.316 10 20 IICD CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1/CCn2c1nc1cc(Cl)ccc1c2=O 71970164 UACXBSINFXPRPT-QINSGFPZSA-N 446.894 4.357 10 20 IICD COc1ccccc1[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)N1CCCCC1 302999706 UKSBBUDFDAMUGR-QHCPKHFHSA-N 432.568 4.455 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](CN4CCC(C)CC4)C3)ccc21 486048665 ZIZWGYUBTQKHGU-QFIPXVFZSA-N 425.617 4.489 10 20 IICD Cc1ccc2cccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)c2n1 727330129 ZQWZWFVIOIIQKP-UHFFFAOYSA-N 437.411 4.479 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(I)c([N+](=O)[O-])c1 730482423 PYZYTMVIWLCZEF-UHFFFAOYSA-N 437.237 4.052 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)s4)n3)ccc2N1 731059154 XQTCKEOUYGHVMC-UHFFFAOYSA-N 425.944 4.211 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 731278970 SCTXFXZUXJFERS-UHFFFAOYSA-N 441.841 4.229 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(-c3ccc(O)cc3)n2)cc1 733893013 SXSXLWLTELKGPR-OAQYLSRUSA-N 437.565 4.403 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C1CC1 737011353 UDXFCAWAXCWZRL-HSZRJFAPSA-N 437.540 4.116 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)n2)c1 739384377 IEHYFXRDAXMHOG-UHFFFAOYSA-N 431.282 4.221 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)CC2)cc1 740819119 IMMQGKBCXBWGOG-UHFFFAOYSA-N 438.572 4.276 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H](CCCO)c1ccccc1 741083810 ABMWTZDLHHUPFU-NRFANRHFSA-N 433.499 4.070 10 20 IICD Cc1cc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccccn1 741710742 HLZHQLAJEYUXPS-UHFFFAOYSA-N 438.837 4.365 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2ncnc3sccc23)C1 742589664 SCOZMDJPBMYCPE-IBGZPJMESA-N 435.597 4.214 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 743176536 PBSVNLGWOHBURS-HNNXBMFYSA-N 448.361 4.434 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(NC(=O)NC(C)C)cc1 743807138 AABAXJLPHXCRAS-UHFFFAOYSA-N 434.334 4.347 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C 743873626 OYVWRAGMBJUUKN-CQSZACIVSA-N 449.345 4.099 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(-n2ccnc2)cc1 745783549 VOBHAVBFGWCBLF-UHFFFAOYSA-N 429.318 4.072 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 752657238 ZBFNBFUPSJYYAC-UHFFFAOYSA-N 440.547 4.173 10 20 IICD C[C@H](NCCN(C)CC(F)(F)F)c1cc(Br)cc(Br)c1O 756569731 ROBHPQRPBYHODO-QMMMGPOBSA-N 434.094 4.062 10 20 IICD C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1cc(Br)c(F)cc1O 756576647 VFXXEYNHJNHGPB-LBPRGKRZSA-N 425.298 4.097 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 756693876 SIZQUUNDKSLRAA-GJZGRUSLSA-N 431.499 4.193 10 20 IICD COc1cc(N2CCN(C(=O)C(C)(C)c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759224080 YZXCNSQAORCMKG-UHFFFAOYSA-N 448.563 4.492 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCCCSc2nccs2)CC1)c1ccccc1 759575039 NKDBJEISQAZJOH-IBGZPJMESA-N 446.642 4.109 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3Br)c2)CC1 760561492 SWVZJORMMGJQBJ-UHFFFAOYSA-N 436.737 4.057 10 20 IICD CC1CCN(c2cccc(NS(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)c2)CC1 763389238 BMEHMSSMQACAHU-UHFFFAOYSA-N 445.560 4.099 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 764895809 WBLYPOHPBHREGJ-FQEVSTJZSA-N 445.510 4.007 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2F)C[C@@H](C)O1 765119163 RVFILNVWKSAAIV-CEXWTWQISA-N 445.554 4.266 10 20 IICD Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1ccc(N2CCSCC2)cc1 766803969 AWBOLYOVRMLEDC-UHFFFAOYSA-N 426.973 4.317 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 768025957 SYWMCMIQFIAVQP-UHFFFAOYSA-N 445.567 4.193 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cn1cc(-c2ccccc2)c(C)n1 768031821 RORCSUWEOHKZBZ-UHFFFAOYSA-N 428.330 4.375 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C1CC1 768341357 HICGYOFDMAKTFP-IRXDYDNUSA-N 428.552 4.099 10 20 IICD COC(=O)[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(OC)c(O)c1 770686337 DRFLWQAMFHMTRT-QHCPKHFHSA-N 448.479 4.259 10 20 IICD CCc1ccc(C2=CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)cc1 771623073 DVTGEXDGSWHLMC-UHFFFAOYSA-N 434.580 4.279 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3Br)CCC4)CC2)cc1 772545193 SAFMBMFKKYYNGT-UHFFFAOYSA-N 430.346 4.301 10 20 IICD C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 772777831 YAFOWXRVKPKRKY-ZDRDQBANSA-N 431.488 4.272 10 20 IICD COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Br)cc1F 775640323 CKAPNPFVMFXCDH-NSHDSACASA-N 438.297 4.324 10 20 IICD Cc1cc(Br)cc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1O 775654223 IRQWCCAQDXXTOU-UHFFFAOYSA-N 438.753 4.362 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)c1 779074860 UUKHZDSTTIJMPT-UHFFFAOYSA-N 433.436 4.038 10 20 IICD COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1Br 784108538 ZRPFHBKXGASOFD-UHFFFAOYSA-N 446.345 4.202 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CCCCS1 784110143 BIUNQIQRXHFKDN-XFNCEPBJSA-N 426.654 4.131 10 20 IICD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 785424098 LRKDZKISRLGTEW-KRWDZBQOSA-N 436.581 4.020 10 20 IICD COc1c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(Cl)cc1C(=O)N(C)C 793575492 YBICGVWHNYVIIC-CQSZACIVSA-N 435.927 4.199 10 20 IICD COc1ccccc1-n1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1C 798940528 KFNZKVOYYLMFSJ-QFIPXVFZSA-N 448.567 4.077 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798988537 CZQBSNPAADLWOB-GFCCVEGCSA-N 429.822 4.370 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC([C@@H]2CCCO2)CC1 802523343 RMWUVVFZDMEBDV-DEOSSOPVSA-N 449.599 4.394 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)n2)s1 806840247 PNXIFOQEJHHQKD-UHFFFAOYSA-N 426.567 4.035 10 20 IICD CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806846283 ITQBDQXLNWIXMV-SFTDATJTSA-N 432.351 4.169 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1occc1CN1C(=O)Cc2ccccc21 807836894 TUZPIFMKMVYUCE-UHFFFAOYSA-N 431.275 4.311 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1O 814171750 RIYNOLMONRSSIU-YVEFUNNKSA-N 426.391 4.290 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCCOC2=O)cc1 815635825 JUNZCQSVLXJWJN-ROUUACIJSA-N 427.520 4.421 10 20 IICD Cc1nc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(Br)n1C 820801929 ONGWECDCKQAVKA-UHFFFAOYSA-N 447.767 4.069 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 844248355 DEUYCFGPPBBMDQ-UHFFFAOYSA-N 425.875 4.181 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1 915311421 ILTJVBPTPFZVLW-UHFFFAOYSA-N 430.980 4.299 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)c1ccc(F)cc1 917141245 UFTBGRHAZCETBP-FHWLQOOXSA-N 445.554 4.278 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 917339126 PFBGOGNPZJAANG-KRWDZBQOSA-N 430.430 4.039 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(C)cc4cccnc34)n2)c1 917722565 KRYNEWDIMQBZDK-UHFFFAOYSA-N 441.534 4.485 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 918304739 XDXOWIXSBUTLNP-UHFFFAOYSA-N 444.579 4.376 10 20 IICD C[C@@H](Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-])c1ccccn1 919754388 ZXEPJYBKZXQXGY-QGZVFWFLSA-N 447.495 4.252 10 20 IICD Cc1ccccc1C1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCOCC1 919921192 NSZHSGLANYFWHX-QFIPXVFZSA-N 438.568 4.140 10 20 IICD CCc1noc(C)c1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844501558 KLCFZBLPYZKZSI-UHFFFAOYSA-N 446.551 4.084 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S 17699389 BBVKIXYNISABCR-LDADJPATSA-N 431.510 4.471 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(C)C 108806680 NCNXYZIOBCFXGW-UHFFFAOYSA-N 432.948 4.150 10 20 IICD COc1cc(NC(=O)N(C)Cc2ccccc2O)c(OC)cc1NC(=O)c1ccccc1 117351738 AMRXXIFHMYHXFJ-UHFFFAOYSA-N 435.480 4.326 10 20 IICD Cc1cc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 725727426 YZGWBVACQXSWAZ-UHFFFAOYSA-N 446.956 4.423 10 20 IICD CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 725875686 HSWBWJQXNVFUGM-JKSBSHDWSA-N 441.547 4.325 10 20 IICD C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCOCC2)cc1 726244190 BCIPVNYPPSLZRT-IBGZPJMESA-N 435.524 4.295 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 726699734 SATGGGPOHKFYRM-UHFFFAOYSA-N 433.936 4.164 10 20 IICD COc1ccc(C)cc1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726702474 KIYBKPXEPORARG-UHFFFAOYSA-N 433.499 4.116 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4nccs4)c3C)SC2=S)cn1 726986499 QRJYECXZXLZLEJ-DHDCSXOGSA-N 428.564 4.360 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)s1 727248056 BBMOKNGCTHIKHK-UHFFFAOYSA-N 430.920 4.246 10 20 IICD COc1ccc(C2(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCCC2)cc1 728749766 JLHXPFDDDMBYKZ-UHFFFAOYSA-N 441.547 4.064 10 20 IICD Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 732887365 IVDLANLUDCYKBD-URXFXBBRSA-N 436.600 4.283 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)SC2=S)cn1 733370149 WRLUJIBHFPKWHG-CHHVJCJISA-N 443.535 4.341 10 20 IICD CCOC[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 733763798 CQVCXURSPPEJIO-YHZJOHHESA-N 438.640 4.005 10 20 IICD Cn1cccc1[C@H]1CCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 734237478 WRKUCXZKDGBCRZ-SOGDLCAJSA-N 445.635 4.432 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1O 737283696 DZZDYFZJYPKLMZ-UHFFFAOYSA-N 426.856 4.101 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC1CCOCC1 738958622 AKZRRNRQSSXWGF-QFIPXVFZSA-N 440.540 4.472 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](CN3CCCC3)C2)c(C)n1-c1ccccc1Br 739786651 SITAJILEVLJOKQ-SFHVURJKSA-N 430.390 4.415 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(F)c1 742637375 SETNMSKCJXIFIO-UHFFFAOYSA-N 433.549 4.032 10 20 IICD Cc1cccc(CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742748914 ANFLBGRBTVNSGJ-QFIPXVFZSA-N 425.573 4.376 10 20 IICD Cc1[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1C(=O)OC(C)C 742799409 KVMQVPGJHJUFEG-MRXNPFEDSA-N 449.498 4.197 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 743475275 ZZSWFTMMHLBOBJ-AZUAARDMSA-N 447.583 4.004 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(Nc2ncccn2)c1 743808702 CCGLFXKQIKRREQ-UHFFFAOYSA-N 427.302 4.351 10 20 IICD CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 745808034 JRZUQXOCCAZJSQ-QFIPXVFZSA-N 426.580 4.130 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 746362609 XCOCOFPYDUFTJC-JWCGYCSMSA-N 431.579 4.245 10 20 IICD Cc1ccc(C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 747979446 GSYNLLPDRHWAIH-QFIPXVFZSA-N 439.575 4.260 10 20 IICD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)C1 749731208 LTSOYVJQEYEBTL-LPHOPBHVSA-N 447.626 4.476 10 20 IICD CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1 751612127 MYTUGGPMJFVPRG-GHTZIAJQSA-N 432.515 4.391 10 20 IICD C[C@H](NCCNC(=O)OC(C)(C)C)c1cc(Br)cc(Br)c1O 756515091 BULCSQXJRCWKGN-VIFPVBQESA-N 438.160 4.093 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1O 757287388 UPZFZUZDEQYWBW-INIZCTEOSA-N 449.576 4.243 10 20 IICD CC[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O 761089973 GOYWGZTXRVJDBE-JBYIUTFZSA-N 439.531 4.355 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)C[C@H](C)O1 762439301 GJUXNZAQWLKKOQ-GJZGRUSLSA-N 447.482 4.081 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 765079289 MNAKKFSHAIUMSD-WNNBVUDTSA-N 426.504 4.130 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 765079535 NRVNIUOFUVGIPC-MRXNPFEDSA-N 449.473 4.349 10 20 IICD C[C@@H](NC(=O)CCCc1ccccc1Br)c1ccc(N2CCOCC2)cc1 765137914 ZTPUWLQTBQKPSL-QGZVFWFLSA-N 431.374 4.486 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 776507211 RPUDVRXNPLKAGA-NQIIRXRSSA-N 430.593 4.264 10 20 IICD CN1CCCc2cc(CN[C@H](c3ccc(F)cc3)c3cccc(S(C)(=O)=O)c3)ccc21 779044104 HLPBEHKWTPVABC-RUZDIDTESA-N 438.568 4.491 10 20 IICD Cc1oc(-c2ccccc2)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 780415265 IVXLUGAPZIZPDH-OAQYLSRUSA-N 431.536 4.195 10 20 IICD CN(C)c1ccc([C@@H](CN[C@@H](c2ccccc2)c2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 783280335 VBTWGJMPHUMING-YADHBBJMSA-N 435.572 4.421 10 20 IICD CC(C)(C)OC(=O)c1ccccc1C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 783980107 QMOAKTBZSHOUFP-JOCHJYFZSA-N 425.525 4.153 10 20 IICD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 785293187 CXVMJNYVJMCMHQ-ZWKOTPCHSA-N 448.519 4.232 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)cc1 788957167 IFYXOICBZGBYDO-UHFFFAOYSA-N 439.531 4.108 10 20 IICD O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)C(=O)N(Cc1ccccc1O)C1CCCCC1 793622675 AJZWISKIQJNPLI-BJKOFHAPSA-N 436.552 4.090 10 20 IICD Cc1ccc(CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]2CCCO2)c(Br)c1 799141781 BLXFINBRQMVRJQ-UWJYYQICSA-N 448.357 4.070 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 801607897 CLLQZHXMPIDQSN-UHFFFAOYSA-N 433.574 4.255 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](c1ccccc1C)C1CC1 805874666 IIGHXOMKILEGIB-FQEVSTJZSA-N 445.357 4.079 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1OCCC(C)C 807385360 JFNPSZCAMGBEGM-UHFFFAOYSA-N 449.345 4.143 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc2ncc(Br)cc2c1 807837769 BYPKBUHZZBPEFJ-UHFFFAOYSA-N 427.085 4.335 10 20 IICD Cc1cc(Cl)cc([C@H](C)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c1O 808717272 GMUXTBOBAWZZJI-PSLXWICFSA-N 427.932 4.430 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 813684752 VXVTXYJXKKIFFI-DJJJIMSYSA-N 435.351 4.315 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 916625432 HOLDHUKVFQDHNN-UHFFFAOYSA-N 426.586 4.464 10 20 IICD C[C@H](Cc1ccc(Br)cc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916645505 FMRNBRGUCBRKPD-UZLBHIALSA-N 447.373 4.477 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ncc(Cc2cccc(F)c2)s1 916671717 IOAHAVYXNZOXGA-UHFFFAOYSA-N 444.507 4.170 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 918429300 HOWGAFYXNKSNSR-UHFFFAOYSA-N 442.991 4.431 10 20 IICD Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 919976046 FDXQFPDSFMTVDQ-OAHLLOKOSA-N 445.972 4.228 10 20 IICD C/C=C(\C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780987810 CQNZKYYQQZOXBU-QUGSWUDESA-N 449.595 4.188 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C34CC(C3)C4)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790777215 MPOFFRYKWQIHOA-UHFFFAOYSA-N 426.900 4.299 10 20 IICD COc1cc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc([N+](=O)[O-])c1O 20987317 KGRHEKJBVOUDLD-AUWJEWJLSA-N 439.371 4.410 10 20 IICD c1cc(N2CCSCC2)ccc1CNCc1csc(-c2ccc3c(c2)OCO3)n1 236624163 AXEQJSYCJNRXJU-UHFFFAOYSA-N 425.579 4.382 10 20 IICD Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 302942259 IBKJGQKQBUFCLQ-UHFFFAOYSA-N 429.879 4.209 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)C3CCN(CCc4ccccn4)CC3)cc2)CC1 303400512 QUPAYVMTDHJEOM-UHFFFAOYSA-N 449.643 4.166 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)s1 324382626 LUIWUQXRGIJTRC-UHFFFAOYSA-N 429.405 4.322 10 20 IICD COc1cc(Br)cc(CNCc2nn(-c3ccccc3)c3c2CCC3)c1O 725846280 BRNSIPSUKSYNCA-UHFFFAOYSA-N 428.330 4.128 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 734525972 RFEAHDMVZVPBCP-QGZVFWFLSA-N 445.405 4.149 10 20 IICD CCc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)o2)cc1 742565794 GOGFNMPXIDKYHP-NRFANRHFSA-N 431.536 4.141 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 742745898 QLBNXIRIQWQLDB-NRFANRHFSA-N 430.593 4.074 10 20 IICD C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 742754960 SQEMGRIPNIXMFO-IERDGZPVSA-N 429.536 4.377 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 742781426 XBGMIPYLMQWMHI-SFHVURJKSA-N 447.535 4.336 10 20 IICD CCN(CC)C(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 743484564 GWPYHHGOTWLOHT-UGKGYDQZSA-N 431.527 4.456 10 20 IICD C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745646572 FBDORBNJHSATLY-MWTRTKDXSA-N 429.511 4.219 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 745788963 WVBGLPKTTKWKJQ-UHFFFAOYSA-N 425.573 4.422 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 753642463 DXJURFMNQFQPGM-GFCCVEGCSA-N 446.334 4.440 10 20 IICD COc1cc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 754723769 UOUVDIPZTFRLCW-UHFFFAOYSA-N 435.586 4.003 10 20 IICD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 759033258 WTOQKOWBEABHFP-IBGZPJMESA-N 434.584 4.011 10 20 IICD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(N=Nc2ccccc2)cc1 760152730 LQPSLVGOTBRGSW-RUZDIDTESA-N 439.475 4.434 10 20 IICD CC(C)(C)OC(=O)N1CCC(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 760665105 YQSPNNWFEIKNNC-UHFFFAOYSA-N 439.547 4.494 10 20 IICD COc1c(F)cc(F)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 761687109 OGTZRHLCKLVGLI-UHFFFAOYSA-N 445.388 4.151 10 20 IICD Cc1cc(C(=O)CSc2ncc(C(C)(C)C)o2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 761883467 WHUSJEPTYKFNAA-UHFFFAOYSA-N 447.582 4.002 10 20 IICD Cc1cnc(C2CCN(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)s1 763196302 SIZLCIGZFZTFAN-HZPDHXFCSA-N 446.592 4.293 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3c(OC)cccc3OC)n2)cc1Cl 775149904 IOEKDNDSQNDIDM-UHFFFAOYSA-N 440.930 4.290 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cccc(Cl)c2F)nc1-c1ccccc1 775206571 DAOHISJRTMPSRD-UHFFFAOYSA-N 425.894 4.362 10 20 IICD COc1cc(O)c(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1OC 777483679 YPTNLLKNLHYJRS-XMMPIXPASA-N 441.549 4.001 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2Nc2c(F)cccc2F)c1 779157595 YDTWYSWQPXZNKZ-CYBMUJFWSA-N 441.434 4.239 10 20 IICD COCCOc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897103 UDHJOYTXMGAADD-UHFFFAOYSA-N 440.540 4.026 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(Cc2cncs2)no1 796131426 RFPYBTOLBSMWGK-NTUHNPAUSA-N 434.593 4.012 10 20 IICD CN(C)c1ccc(CNC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1F 797441148 RRVXQNTWRYEJJA-UHFFFAOYSA-N 429.927 4.154 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1CCC(F)(F)C1 797558243 NTJAOOFKCRKUEV-IGVUGNCQSA-N 430.567 4.281 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 802609700 HWJAFMKDXQSOHP-UHFFFAOYSA-N 431.920 4.162 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1-c1cccc(Cl)c1 802610262 XSSLRTDOHRJGHY-UHFFFAOYSA-N 440.931 4.307 10 20 IICD CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807689217 YRNDRZZNGIKZEV-IBGZPJMESA-N 434.536 4.385 10 20 IICD O=C(N[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1)c1ccccc1 807837648 ZFKSRUDRKQMUHV-IBGZPJMESA-N 429.303 4.487 10 20 IICD CC(=O)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 808011904 YOKOIQYHIYUAPR-UHFFFAOYSA-N 426.544 4.426 10 20 IICD CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 808968765 WSCCHWFRGGNQRH-JOCHJYFZSA-N 438.499 4.037 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3cccc(C(F)(F)F)c3O)CC2)cc1 815556892 HUFPNCNCFPFGDT-OAHLLOKOSA-N 442.503 4.223 10 20 IICD COc1ccc(N2CCN(C(=O)CSc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 827642164 ZQICXAVQCNQUGS-UHFFFAOYSA-N 443.956 4.445 10 20 IICD Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br 857758838 URKMSKKJNANJMU-KRWDZBQOSA-N 446.389 4.053 10 20 IICD COc1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 914070037 QQVHMATZOOGPDI-SFQUDFHCSA-N 432.592 4.055 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C 915219369 JTYXMGZDIJTKMA-UHFFFAOYSA-N 443.550 4.121 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c([N+](=O)[O-])cc1OC 915858893 PCRXWHVZEXUUQB-VCHYOVAHSA-N 445.522 4.084 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCNC(=O)C1CC1 915906533 SMSQALNDTLADKD-IBGZPJMESA-N 448.489 4.007 10 20 IICD Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cs2)o1 917711379 GDCYNNLFYBUVRT-IYBDPMFKSA-N 443.544 4.323 10 20 IICD O=C(NCCCCOc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918199732 BCQGYIIBUITKDM-UHFFFAOYSA-N 449.954 4.099 10 20 IICD O=C(NCCOc1cccc(Cl)c1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 919922843 RONYNQCYWMFLPZ-INIZCTEOSA-N 439.339 4.469 10 20 IICD O=C(CCCCc1nc2ccccc2s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969393 LIPFEVGLCXBFOO-UHFFFAOYSA-N 441.572 4.426 10 20 IICD COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 920315601 XJGTZPSJKVMAOX-UHFFFAOYSA-N 448.453 4.390 10 20 IICD Cn1cc(-c2nn(C)cc2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 1116688667 SUJXKOQWBMRLRI-UHFFFAOYSA-N 440.345 4.055 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4F)C3=O)cc2)CC1 1319759164 XVZDIMCVWQQYNT-AQTBWJFISA-N 431.533 4.122 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1)C1=NN(c2ccccc2)C(=O)C1 1788672603 XDBMIINKUVWNLZ-UHFFFAOYSA-N 444.535 4.104 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3S(C)(=O)=O)c2C)c1 23552581 FWAHMPPOBFMNKZ-UHFFFAOYSA-N 439.533 4.154 10 20 IICD C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933355 XEWKTSVTHLUTCQ-CQSZACIVSA-N 442.865 4.279 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cccnc3N3CCCCC3)no2)cc1)C1=S=CC=C1 545574975 GDRSJWQXLPBIPG-UHFFFAOYSA-N 431.521 4.005 10 20 IICD COc1ccc(-c2n[nH]cc2CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726608058 KBKFKUXCYADHSK-UHFFFAOYSA-N 428.483 4.445 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)s1 727241762 DZRHXAPOGWLNQM-UHFFFAOYSA-N 434.977 4.049 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 729035611 LPVHFIUSFYTORK-QGZVFWFLSA-N 425.529 4.464 10 20 IICD COC(=O)c1coc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 729152066 AXXTXNQKDLRDFD-QGZVFWFLSA-N 426.494 4.084 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730527761 VEHWQXMEROVPDF-UHFFFAOYSA-N 449.864 4.470 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1F 731363858 CFYLJNTZAHEFFT-QFIPXVFZSA-N 426.580 4.036 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 736381042 UOHNXCMAHYOXSK-HOIFWPIMSA-N 431.964 4.313 10 20 IICD CCCOc1c(Cl)cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1OC 739764671 CILSTZLJOQDNMS-UHFFFAOYSA-N 445.947 4.091 10 20 IICD COC(=O)CCN(C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)C1CCOCC1 742965251 ACVWPOJWXXHMDQ-UHFFFAOYSA-N 426.557 4.402 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(CC(F)(F)F)cc3)cc2F)CC1 743190211 WNMXBVWGGDOTBY-UHFFFAOYSA-N 438.469 4.394 10 20 IICD O=C(NCc1ccnc(OC2CCOCC2)c1)N(Cc1ccccc1O)C1CCCCC1 745819691 OYMSGGGAGBSCKO-UHFFFAOYSA-N 439.556 4.390 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)c[nH]1 753136632 FHDWMDYWAVKAJQ-DHDCSXOGSA-N 438.983 4.448 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1F 753739677 JGKCOFKNAXPAGV-UHFFFAOYSA-N 439.512 4.111 10 20 IICD CC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 755046722 UWENXYYXYMHPRW-IEBWSBKVSA-N 447.526 4.067 10 20 IICD C[C@H]1CN(Cc2cccc(CN[C@@H](C)c3cc(Br)c(F)cc3O)c2)CCO1 756462693 YZDMVCYRQHICRF-GJZGRUSLSA-N 437.353 4.365 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H]3CC4(CCC4)Oc4ccccc43)CC2)cc1F 757786979 FGPJUPQEHZTWCD-FQEVSTJZSA-N 425.504 4.112 10 20 IICD COc1cc(N2CCN(C(=O)CCc3ccc4ccccc4c3)CC2)cc(OC)c1OC 759222990 OPBNBBXHUPJBIL-UHFFFAOYSA-N 434.536 4.147 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C2CC2)cc1 760891368 YVSAOPMINIHBBY-UHFFFAOYSA-N 447.583 4.067 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CS(=O)(=O)c4ccc(C)cc4)no3)ccc21 761344581 SSAAQMRAEAMOHZ-UHFFFAOYSA-N 439.537 4.237 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3csc(-c4ccco4)n3)cc2F)C[C@@H](C)O1 763590724 RSFWNBYEGFFVSO-HUUCEWRRSA-N 444.532 4.155 10 20 IICD CC(C)c1ccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 766560425 PMHMGHXJOMNLOX-SFHVURJKSA-N 427.564 4.341 10 20 IICD COc1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)cc1F 770307965 WOAHYQSZCUFLTD-UHFFFAOYSA-N 443.526 4.404 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cc(F)ccc1Br 771912441 GCRVSKHQLZKVCX-UHFFFAOYSA-N 441.303 4.405 10 20 IICD CC(C)COc1cccc(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 772789661 IOEIKCFXMRAZGN-UHFFFAOYSA-N 448.510 4.487 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773856804 LLUJHOFZIIGQNB-SFHVURJKSA-N 433.556 4.232 10 20 IICD CCC[C@@]1(COC)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 774830887 AFWQPNWQQVQTJO-QFIPXVFZSA-N 425.520 4.248 10 20 IICD CCOc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCO2 776229045 DFYWJOWQPAHPFV-CTNGQTDRSA-N 426.513 4.005 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)sc2C)cc1 780704854 UTAQHGLZLXNPNI-UHFFFAOYSA-N 438.534 4.385 10 20 IICD Cn1cc(-c2n[nH]cc2C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 781405649 XWOUSTKZEVOVFD-UHFFFAOYSA-N 429.440 4.021 10 20 IICD Cc1cc2cc[nH]c2cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 781545899 JNKTVASELHRKEP-UHFFFAOYSA-N 427.507 4.297 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 782681774 XHKYTPHEJFMGDH-UHFFFAOYSA-N 425.501 4.191 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]2CCCC[C@H]12 782712491 QSBMXQWCRUKJKA-ZTNFWEORSA-N 425.495 4.262 10 20 IICD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897470 XIWQEVNWNITLQU-UHFFFAOYSA-N 425.485 4.217 10 20 IICD C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCNC2=O)cc1 786831425 YLKAYLDEYGHSAN-AEFFLSMTSA-N 430.499 4.137 10 20 IICD C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NOCCO)c2C1 787294203 SNUNXPILTAMSFU-FDCFBWIESA-N 431.536 4.077 10 20 IICD COc1ccc(CNC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c(O)c1 792932082 LKUILBJITJFJET-LBPRGKRZSA-N 425.348 4.143 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793071020 GPABFNSGUNJXJI-UHFFFAOYSA-N 427.501 4.365 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H](C)Cc3ccsc3)cc2Cl)C1 793804584 XMNJUJOADZGTID-JKSUJKDBSA-N 434.005 4.001 10 20 IICD CC[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc(Br)ccc1O 794826617 DCHZEMLHUSTAPE-GOEBONIOSA-N 442.151 4.185 10 20 IICD Cc1cc(-c2csc(NC(=O)c3ccnc4c3nnn4C)n2)c(C)n1-c1ccc(F)cc1 800800255 KAWUHRXQLXUZHT-UHFFFAOYSA-N 447.499 4.286 10 20 IICD Cc1cc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CC(C)C)c(C)n1-c1ccccc1 802666362 NFQAGMMAADGOPI-UHFFFAOYSA-N 446.599 4.115 10 20 IICD C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 803576329 LXAYSIQDOZWAHA-LJQANCHMSA-N 434.536 4.387 10 20 IICD CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 807846425 FSWZDHKHWRVZEV-GOSISDBHSA-N 446.389 4.235 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1F 812018866 YOUKGKORAAYZSN-IBGZPJMESA-N 441.425 4.073 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OCC 918001185 FIHUGWIQRFLIMF-LJQANCHMSA-N 441.572 4.476 10 20 IICD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 918155474 QZWLVSZNJKEAJA-UHFFFAOYSA-N 436.942 4.179 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCC3(c4ccc(F)cc4)CC3)cc2F)C[C@H](C)O1 918210959 BBZZFBFTGCPNPW-IRXDYDNUSA-N 429.511 4.109 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 918310709 SJQDBRQJLMGASH-UHFFFAOYSA-N 430.552 4.116 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C2SCCS2)cc1 919970862 GVWKPTOGOILQLT-UHFFFAOYSA-N 432.586 4.195 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)ccc3F)n2)s1 920315883 NOPLVHADPIRBCC-UHFFFAOYSA-N 426.516 4.161 10 20 IICD O=C(NCc1cccc(OCC(F)(F)F)n1)N(Cc1ccco1)Cc1ccccc1O 1321359831 NQKNKHFDDSHBDS-UHFFFAOYSA-N 435.402 4.233 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(O)cc2)C3)cc1 1800514075 KJJPALZCFLMXHK-VILGAWFOSA-N 443.547 4.365 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(COc2ccccc2)cc1 27329996 ZJSWHQTZKQHGRL-UHFFFAOYSA-N 432.520 4.147 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1OC(C)C 69436713 ULVYHKDPXDARDK-JOCHJYFZSA-N 426.557 4.370 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)cc(Br)c1 393147244 COMRXVYFSMKZKU-UHFFFAOYSA-N 427.701 4.008 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)ccc21 440734059 GBYHDXXGRLTFIT-UHFFFAOYSA-N 449.551 4.066 10 20 IICD Cc1cc(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)ccc1NC(=O)C1=S=CC=C1 546278428 ROGBJVNHCZDYSV-UHFFFAOYSA-N 444.516 4.055 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](OC1CCCC1)c1ccccc1 726982183 NPKPLPUDVBMEQW-XMMPIXPASA-N 426.532 4.104 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(SC)cc3)ccc21 728638057 VKDWZIXADFOSQN-UHFFFAOYSA-N 426.538 4.422 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccccc3)CC(C)C)cc2F)CC1 730134117 NYWMKRFWNACKBM-UHFFFAOYSA-N 426.580 4.335 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 730167427 DXPIKWLNVMJWQQ-LJQANCHMSA-N 435.499 4.067 10 20 IICD CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 735379744 URXMEFXLTZLGRL-NVXWUHKLSA-N 431.524 4.015 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(N=c2cc[nH]cc2)cc1 735851651 BXXIJGIYWNGKJC-UHFFFAOYSA-N 427.552 4.031 10 20 IICD O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 735927185 OFXLPEVLEKUOMM-FQEVSTJZSA-N 436.483 4.206 10 20 IICD C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 737698631 RCAMVGOCBZYUHQ-ZDUSSCGKSA-N 444.418 4.269 10 20 IICD CC(C)=CCSc1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 741181737 DZBRMEGGGNOLCA-FQEVSTJZSA-N 437.609 4.377 10 20 IICD CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1ccc(N2CCCCC2)cc1 741710329 BSFXNLPDMXFPGT-DEOSSOPVSA-N 449.595 4.244 10 20 IICD CCN(C)c1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 741754171 KMRWTMVNCGYFSG-UHFFFAOYSA-N 431.378 4.151 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1[nH]c(-c2ccc3c(c2)CCC3)nc1=S 742144721 BNYVXGMHYWJQEQ-UHFFFAOYSA-N 435.597 4.022 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2ccccc2F)n1 742800970 OCWBNOCSDNWWNR-HNNXBMFYSA-N 430.430 4.012 10 20 IICD CCOCc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743532203 LJNBEUVXSIPMMW-IBGZPJMESA-N 433.499 4.293 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 745798576 HPZINCUTWWVHSB-MRXNPFEDSA-N 437.338 4.344 10 20 IICD COc1cccc(CNC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1O 745811796 DIUCTAOVLRKSTN-LBPRGKRZSA-N 425.348 4.143 10 20 IICD Cc1ccc(N2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)C2=O)cc1 745857280 GCHUFBRSUDVTQZ-DEOSSOPVSA-N 446.551 4.171 10 20 IICD COc1ccccc1[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 745902880 ADTDSVXSYRYDCC-ZWKOTPCHSA-N 445.510 4.465 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2)c1 749731022 IUIPYYHEEBYVJD-UHFFFAOYSA-N 443.550 4.181 10 20 IICD Cc1cc(-c2noc(CCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)n2)ccc1F 751302759 QPUFDIFPFVLVPU-UHFFFAOYSA-N 442.454 4.465 10 20 IICD COCCOCCCCN[C@@H](C)c1cc(Br)cc(Br)c1O 756517989 SBKMNWGLMSBBFO-NSHDSACASA-N 425.161 4.011 10 20 IICD C[C@H](NC[C@]1(N(C)C)CCSC1)c1cc(Br)cc(Br)c1O 756635078 DHNHCWZZWRQVAB-ZUZCIYMTSA-N 438.229 4.005 10 20 IICD OC1CCN(c2ccc(CN[C@H]3CCc4c(F)ccc(Br)c43)cc2F)CC1 760327555 VVXHQQQHNLBIOQ-IBGZPJMESA-N 437.328 4.466 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(OC)cc2I)cc1 760382422 JKSIKKRNRFNDBU-UHFFFAOYSA-N 438.309 4.076 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 765807435 ZEXFOIYHNLZGTO-AWEZNQCLSA-N 442.422 4.143 10 20 IICD COc1cc(Br)cc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1O 768980917 BYRYOQPDAAOPCB-KRWDZBQOSA-N 430.302 4.154 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 772100411 SBMBBIAOABTGMI-HSZRJFAPSA-N 449.555 4.022 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3cc(F)c(F)c(F)c3)cc2F)C[C@@H](C)O1 776895492 ATFBPLMMWMAJME-ZIAGYGMSSA-N 439.453 4.198 10 20 IICD CCN(CC)C(=O)COc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 777096867 ZOWAYSKYRFQEOD-GOSISDBHSA-N 429.536 4.083 10 20 IICD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 777489855 CTDQRYQRXBZTKW-UHFFFAOYSA-N 429.392 4.245 10 20 IICD O=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(O)c(O)c1 782482241 LQYOPSDKAXJTKX-UHFFFAOYSA-N 425.824 4.043 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)c1 783629708 RTHZMWCFFYOCTD-UHFFFAOYSA-N 433.436 4.038 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccn(CCOC)n2)sc(C)c1-c1ccc(C)cc1 784026216 SRQSQZQYTOHZLW-UHFFFAOYSA-N 427.526 4.304 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)COC(=O)N3)c(C)n1-c1ccc(Cl)c(Cl)c1 784468443 FORRZDUHQGVYTD-UHFFFAOYSA-N 436.339 4.158 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4ccccc4n3CC(F)(F)F)CC2)cc1F 787418827 SERAKXMQUVQYLP-UHFFFAOYSA-N 435.421 4.314 10 20 IICD CCOC(=O)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(OC)c(F)c1 793098765 MJYZRAQGSOCVBF-IBGZPJMESA-N 428.426 4.313 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 795329487 QLYLXMCPGBZPIS-QFIPXVFZSA-N 445.579 4.013 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 795355448 HZWKGWGCDVEOPI-UONOGXRCSA-N 430.220 4.473 10 20 IICD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 797047820 DQMUSXTWYSSEBR-UHFFFAOYSA-N 430.552 4.499 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(OCc2cccnc2)c1 797736511 VPNAGKGVJNSGMS-UHFFFAOYSA-N 441.871 4.138 10 20 IICD O=C(NCc1c(F)cccc1N1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 807413152 DGUONCLKSZYVPG-LJQANCHMSA-N 427.520 4.022 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCO1 812440213 DMYLBCVTSGOEDE-QFIPXVFZSA-N 444.539 4.042 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC(C)=O 814272660 REEWNMGDXFQTDX-CPNJWEJPSA-N 443.546 4.073 10 20 IICD O=C(c1cnc(Cl)c(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 816921700 DWBCHZRVTSPMSZ-CQSZACIVSA-N 425.710 4.025 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 916837049 HNOFSLOQIRNSBE-FQEVSTJZSA-N 429.630 4.243 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)c1 917491088 QNSZVQRJSYOZKM-PCCBWWKXSA-N 426.601 4.218 10 20 IICD C[C@H](CCc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918146661 HFQOYMVMRYEIEW-QGZVFWFLSA-N 435.490 4.363 10 20 IICD Cc1cnn(CC2CC2)c1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1318134275 AZXOFEKSZMWFCF-MHWRWJLKSA-N 446.623 4.283 10 20 IICD O=Cc1cccc(OCc2cccc(C(=O)NCc3cccc(Br)c3O)c2)c1 1320917457 JTAQGHVVGQNLNF-UHFFFAOYSA-N 440.293 4.476 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1)c1cc(O)nc(O)c1 1788429674 UWJXUTBKQWJGKI-UHFFFAOYSA-N 443.503 4.432 10 20 IICD Cc1csc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)c1 1806242123 FBWLEABEOJVADR-UHFFFAOYSA-N 448.972 4.280 10 20 IICD C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 116030194 SDKQEYSHEHTMBC-KRWDZBQOSA-N 432.561 4.073 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)CCC4CCCC4)CC3)ccc21 484804363 IHKFWBGZGWKBPT-UHFFFAOYSA-N 439.600 4.159 10 20 IICD CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726246606 WQYOXZBJZVGVAV-IBGZPJMESA-N 443.544 4.487 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1 727057034 MBVPTYWKIXBSJF-MRXNPFEDSA-N 446.389 4.218 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cccc2c1OCCO2 727249535 ABGNRNFTGCKKSA-UHFFFAOYSA-N 426.878 4.175 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 728979412 HKULASDNPHMDBK-HKUYNNGSSA-N 432.520 4.284 10 20 IICD CCOc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1 732202416 PIYSSUPVQPGTHS-RPWUZVMVSA-N 438.568 4.136 10 20 IICD O=c1c(Cl)c(NCCCSc2nccs2)cnn1-c1ccc(C(F)(F)F)cn1 733895457 DUXJBGHNLRSKLE-UHFFFAOYSA-N 447.895 4.351 10 20 IICD COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1O 733900931 QMYFYLHKTWKVFS-UHFFFAOYSA-N 430.464 4.452 10 20 IICD COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 734018340 NMNLEPLKIPCTQO-XXBNENTESA-N 436.533 4.181 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 734693346 GNGMKVLQVMRIGD-UHFFFAOYSA-N 427.460 4.330 10 20 IICD CCc1ccc([C@H]2COCCN2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 737050502 WEUBHSRILRXGSQ-HXUWFJFHSA-N 449.498 4.195 10 20 IICD O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1CCc1ccc2c(c1)OCCO2 743283148 WJHKHRBDIFODMD-STZFKDTASA-N 434.542 4.450 10 20 IICD CCN(Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cc(Br)ccc1O 744427113 YVDCLHPMHWTFBX-UHFFFAOYSA-N 446.370 4.399 10 20 IICD CSc1cccc(N2C[C@@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)c1 751302943 ROURUWDPVJSCAK-INIZCTEOSA-N 443.532 4.110 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2nc(O)oc12 752987045 CMJSSASZRZEFQF-UVTDQMKNSA-N 445.547 4.215 10 20 IICD CC(=O)N1CC[C@@H](CN(C)CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 755044400 GENWYYOMLGRBCY-SFHVURJKSA-N 435.490 4.096 10 20 IICD CCOc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1OC(F)F 756932537 CISQBJGLCDNAOW-MRXNPFEDSA-N 449.498 4.084 10 20 IICD COc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(OC2CCCC2)c1 761441837 DDTPRKLKDSXPLZ-UHFFFAOYSA-N 444.915 4.340 10 20 IICD C[C@@H]1C[C@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CN1Cc1ccccc1 762232275 YGTLVPMKRPWMLW-MJGOQNOKSA-N 441.959 4.111 10 20 IICD C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(N2CCOCC2)c(F)c1 765252592 SEGKGUMOEDOIMJ-GOSISDBHSA-N 434.515 4.160 10 20 IICD Cc1ccc([C@H](CNC(=O)NCc2cccc(Br)c2O)N2CCCC2)cc1 765481442 UQJDIXCXKLJUSC-IBGZPJMESA-N 432.362 4.099 10 20 IICD Fc1cc(CNc2nc3ccccc3n2CCc2ccccn2)ccc1N1CCOCC1 766106490 FARDZQBHJSASBB-UHFFFAOYSA-N 431.515 4.262 10 20 IICD C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769899803 MECXLXVZXXTZBK-CYBMUJFWSA-N 446.525 4.153 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773376225 QCYLMIDQOHFAGA-UHFFFAOYSA-N 426.822 4.198 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1 775207810 JEVPIQUZGICWAV-UHFFFAOYSA-N 437.930 4.231 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c(C)c1F 775208641 OBVRBCJKSKAQGQ-UHFFFAOYSA-N 435.502 4.025 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(N(C)C)cc1 776246713 TVLCSQREERNWRT-INIZCTEOSA-N 448.489 4.000 10 20 IICD Cc1cc(Br)cc(CN[C@@H](CCO)c2ccccc2Br)c1O 781927584 OXOSTCLGQWGIRK-INIZCTEOSA-N 429.152 4.439 10 20 IICD O=C(COC(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc(O)c(O)c1 783108389 CHPPTSGVRYWZHT-UHFFFAOYSA-N 440.296 4.085 10 20 IICD C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 788807438 ZQMHUSMETLLTNM-YWZLYKJASA-N 434.367 4.286 10 20 IICD CC(C)=CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 791002378 HBBITGKPNJHRFJ-GDNBJRDFSA-N 439.400 4.123 10 20 IICD O=C(c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1)N1CCC(O)CC1 795799207 XRAPAZXYDMHMML-UHFFFAOYSA-N 441.575 4.458 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1)c1ccc(N(C)C)cc1 807675772 AJOXNKXIYNDDCW-MRXNPFEDSA-N 429.511 4.179 10 20 IICD Cc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(C)n1-c1ccccn1 914846959 FBYUNQVHPDAVDT-UHFFFAOYSA-N 426.923 4.240 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)cc2)c(OC)c1 916231314 PHABTOHTIYWESJ-RUZDIDTESA-N 445.519 4.312 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N(C)Cc2ccccc2O)cc1 917309958 ACYINHPKJWLQKX-UHFFFAOYSA-N 427.504 4.455 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1F 917710603 KMAIHWFBHHFIDM-IYBDPMFKSA-N 440.494 4.003 10 20 IICD COc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 917940310 DEKDTCPUZINPJH-CVEARBPZSA-N 428.488 4.148 10 20 IICD Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)cs1 918018580 XASYRIVMXLRCSX-UHFFFAOYSA-N 428.989 4.470 10 20 IICD COc1cc(N2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc(OC)c1OC 1320307446 YLGFZCJPSXLXLT-UHFFFAOYSA-N 442.947 4.078 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)Cc3ccco3)C2)cc1 1846642008 QXDWPOGLMKVHOD-IBGZPJMESA-N 445.563 4.383 10 20 IICD CC(C)c1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 108808302 DNQNYNHXSAEMIK-UHFFFAOYSA-N 438.959 4.416 10 20 IICD COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1c(C)c2ccccc2n1C)CC3 472222709 NLATZLDGWLQKKP-UHFFFAOYSA-N 430.508 4.023 10 20 IICD Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 725864368 OMWOHIPHQXABMS-SFHLNBCPSA-N 425.548 4.447 10 20 IICD Cc1cc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)n1-c1ccc(Cl)cc1 726169943 TWULGRXIGOLIGM-IBGZPJMESA-N 429.992 4.301 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 728520413 CXSNABDRZHWAAQ-UHFFFAOYSA-N 437.584 4.356 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)c2C)c1 728915664 VMADMLQTBZUNKO-LJQANCHMSA-N 449.624 4.416 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCOc3ccccc3C(F)(F)F)CC2)cc1 730125078 LRTOFSKDGGWMBX-UHFFFAOYSA-N 437.462 4.015 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)cc2)CC1 731015695 BFUHHQQPZAIIBW-FGZHOGPDSA-N 435.612 4.462 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccc(Cl)c2)oc1=S 732526477 GKCCIRBXPXYTRW-UHFFFAOYSA-N 430.961 4.452 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)SC2=S)CC1 733369557 KOTARYCKNAJMSL-YBEGLDIGSA-N 446.579 4.014 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 746747025 CTIHJECQYICQFM-DFBJGRDBSA-N 428.548 4.077 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1)C1CCCCC1 747372957 IOOWFRZTTOPDAE-UHFFFAOYSA-N 443.613 4.364 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)cc1C 749736908 CMPKSTSFVKARGS-UHFFFAOYSA-N 432.571 4.084 10 20 IICD CCOCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 750529202 UIURABMQVJDTEQ-KRWDZBQOSA-N 435.362 4.124 10 20 IICD Cc1cc(Br)cn2c(CN(Cc3ccccc3O)C[C@H]3CCCO3)cnc12 753541295 YCWBMINOEABARY-LJQANCHMSA-N 430.346 4.292 10 20 IICD COc1ccc(N2CCN(CCCc3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1F 753861636 TXGBTPJXQIXZOE-UHFFFAOYSA-N 428.483 4.087 10 20 IICD COc1cc(C)cc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c1O 754731420 BFPRZDFXQZGEFG-UHFFFAOYSA-N 433.346 4.322 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2ccc(Br)cc2)C1 759600260 CIYJNABXGJIZDJ-HNNXBMFYSA-N 442.404 4.171 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)cc1 762641404 VBICKOIQHCOEJW-UHFFFAOYSA-N 425.863 4.043 10 20 IICD COc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)o2)c([N+](=O)[O-])c1 764419417 YWAUVDLLHOGQGV-MFOYZWKCSA-N 443.462 4.253 10 20 IICD Cc1ccc(-n2nnc([C@H](C)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2C)cc1 765118582 MKLHBQSTZJKYQI-FHWLQOOXSA-N 437.563 4.488 10 20 IICD C[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 765687434 YUVSXLAROSPXFL-IBGZPJMESA-N 445.604 4.128 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(SC2CCCC2)cc1 765903305 JARQACNCKZWHCU-UHFFFAOYSA-N 449.370 4.444 10 20 IICD CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 769180744 RGMYOHRAYPGFGT-UHFFFAOYSA-N 437.588 4.119 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 769239835 NSJFYMDLFSPYJU-CVDCTZTESA-N 429.586 4.112 10 20 IICD COc1cc(O)c(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1OC 775757039 IVIGGOGBVQCNAW-UHFFFAOYSA-N 427.545 4.226 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCn1cnc2ccccc2c1=O 777823824 YJMMHVQEPWRMIT-LJQANCHMSA-N 427.504 4.282 10 20 IICD CN(Cc1ccc(F)cc1)C(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 782722999 OVDZHWWXWNTLKB-UHFFFAOYSA-N 426.513 4.324 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 783832786 WXVILAGRJCFMRS-UHFFFAOYSA-N 438.914 4.060 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1 784109161 RFBDFRIAGVHKDK-UHFFFAOYSA-N 448.611 4.459 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)COCc1ccnn1C 785880646 IIAQXMRJFTZCCQ-FQEVSTJZSA-N 446.473 4.248 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1 787468432 MMPIVECPKNRQKH-UHFFFAOYSA-N 436.487 4.114 10 20 IICD COc1ccc([C@H](Cc2ccncc2)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 796703735 VJCOKPUTMVVGMQ-MHZLTWQESA-N 431.580 4.373 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1F 797073520 ATJJSCJSHWUFTF-UHFFFAOYSA-N 433.483 4.049 10 20 IICD Cc1sc(NS(=O)(=O)c2c(F)cccc2F)nc1-c1ccc2c(c1)CCC(=O)N2 799186949 KKWGAIWDHQXTIT-UHFFFAOYSA-N 435.477 4.082 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 801550272 VKIHZILUWPPHTD-UHFFFAOYSA-N 430.570 4.009 10 20 IICD NC(=O)C1(c2ccccc2)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 809577883 CKDGLBBKNZODGB-UHFFFAOYSA-N 425.576 4.268 10 20 IICD O=C(Oc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 814285362 SKATULQSSCNAKH-YVLHZVERSA-N 426.475 4.178 10 20 IICD C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)NC[C@@H]1CCCO1 814772788 DZORUCWVPNOJEM-IKMOBUARSA-N 432.592 4.289 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C1CCCCC1 857472638 NBNDASXWXLQRLH-LJQANCHMSA-N 430.980 4.450 10 20 IICD O=C(NC1CC1)c1ccc(CN(C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)cc1 916586993 PJVYUSZZSGHWIS-UHFFFAOYSA-N 432.568 4.053 10 20 IICD Cc1oc2c(CN(C)Cc3ccc(C(N)=O)cc3)c(O)ccc2c(=O)c1-c1ccccc1 1317807973 WABNHDINXOWSSM-UHFFFAOYSA-N 428.488 4.205 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1 1321112504 YWQPDEYCTVHMTR-QZTJIDSGSA-N 426.532 4.186 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C3CC3)CC2)cc1 302801916 LIZMJSRTKNTVOA-UHFFFAOYSA-N 429.520 4.159 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nc([C@H](C)OCC(C)C)no3)ccc21 465203613 DQIZMNLIECLBCW-SFHVURJKSA-N 442.560 4.293 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(Cc4ccc(OC)cc4)n3)ccc21 490450993 CFVBSKJZSNFCOA-UHFFFAOYSA-N 432.524 4.410 10 20 IICD CC(=O)Nc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F 726697717 DFAGFNHRAHWCQD-UHFFFAOYSA-N 436.434 4.176 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2C)s1 727249450 WQXVVTOKCWOWHK-UHFFFAOYSA-N 441.987 4.270 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21 728468217 HYPAZVPBZHMAHE-LJQANCHMSA-N 429.561 4.034 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCC(=O)Nc1ccc(Br)cc1C 731278474 CUHZJPKPLCZDOM-UHFFFAOYSA-N 434.334 4.023 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 731346642 NMFCVKYKWGSBEV-KOSHJBKYSA-N 439.575 4.288 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C(=O)N(C)C)cc2)cc1 732115335 WWKYWZMRLCJBNW-UHFFFAOYSA-N 431.536 4.310 10 20 IICD CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 735877778 LONVEFHHPWBDEY-UHFFFAOYSA-N 432.561 4.318 10 20 IICD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2 741240388 MXLCTULVOPRQKW-FGZHOGPDSA-N 430.976 4.069 10 20 IICD O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2ccccc2c1 742334291 JLVYDSMWLFBYOG-SFHVURJKSA-N 432.492 4.389 10 20 IICD O=C1CSc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 743082168 OBPQMMXZWBUDNU-AWEZNQCLSA-N 448.495 4.123 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nccnc3NC(=O)C(C)(C)C)c2C)c1 745564310 JFRAPTXKRGOCCI-UHFFFAOYSA-N 448.523 4.217 10 20 IICD CC(C)CCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 745691162 IDDBOCRJKYYARQ-HXUWFJFHSA-N 438.572 4.135 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H](C)c1ccccc1 746953010 TYBUMXOPRPTWOR-REWPJTCUSA-N 436.600 4.461 10 20 IICD CC(C)n1c2ccccc2n2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nnc12 748654670 POJDTOKWDNXDII-UHFFFAOYSA-N 436.585 4.082 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)ccc21 748672689 BWCZEKSLWPBFCI-UHFFFAOYSA-N 427.551 4.137 10 20 IICD CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 757272697 CWVSCVVNGXNPDT-CPJSRVTESA-N 430.548 4.272 10 20 IICD O=C1/C(=C/c2cnn(-c3ccc(Br)cc3)c2)SC(=S)N1Cc1ccon1 764412483 SBUZERLNKOJJQE-CHHVJCJISA-N 447.339 4.024 10 20 IICD C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 766074645 YPVQHHNQMIPLIS-OAHLLOKOSA-N 439.419 4.418 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 769155177 OTRJJIIMGYOZJZ-FQEVSTJZSA-N 429.948 4.186 10 20 IICD COc1cc(Br)cc(CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1O 769314745 QKAZOINJUMJQNM-ZDUSSCGKSA-N 443.382 4.289 10 20 IICD Cc1cc(C(=O)COC(=O)c2coc(C3CCC3)n2)c(C)n1-c1ccc2c(c1)OCCO2 769621108 HURRLLPICCQCOY-UHFFFAOYSA-N 436.464 4.161 10 20 IICD COc1cc(O)c(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1OC 775199908 HJAKBPJWJQSEGX-UHFFFAOYSA-N 427.419 4.104 10 20 IICD CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 776941637 XDEZRCFXIAMYOS-ABSDTBQOSA-N 425.520 4.150 10 20 IICD COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(Br)c(F)cc3O)ccc21 779082993 GUKWIGZPTNCHHS-GFCCVEGCSA-N 437.309 4.393 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 779489521 QDABWFLBGRYSJJ-NTUHNPAUSA-N 429.451 4.419 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 779520669 VAEGZYSEICTEMS-RQOWECAXSA-N 445.262 4.099 10 20 IICD Cc1cc(Br)cn2c(/C=C3/SC(=S)N(c4cccnc4)C3=O)cnc12 783700126 JPFZXQRMSVTVEV-MKMNVTDBSA-N 431.340 4.206 10 20 IICD CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 789921667 PKLJXRLGNNUNAY-NRFANRHFSA-N 425.916 4.047 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C(C)C)nc3)SC2=S)c1 790108927 YBEMUNNSAPUYAS-VCHYOVAHSA-N 426.567 4.290 10 20 IICD C[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cc2c(cc1O)CCCC2 793558813 IAACKBKQTWDPGG-QMTYFTJSSA-N 433.552 4.347 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(OCc2cscn2)c1 797741335 DEGZBAFOTYXUEK-UHFFFAOYSA-N 447.900 4.200 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl 798941097 WRTULUVOZJCMKW-SBUREZEXSA-N 443.975 4.268 10 20 IICD Cc1nn(-c2ccccn2)c(C)c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 801647081 BBJKLAFDWJSAAC-CPNJWEJPSA-N 435.578 4.356 10 20 IICD COc1cc(N(C)Cc2c(Br)cncc2Br)cc(OC)c1OC 811488229 PBBJYUYTIMWIAQ-UHFFFAOYSA-N 446.139 4.269 10 20 IICD CCOCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)no1 812317520 VQTTYXDMKUDFAT-ZDUSSCGKSA-N 447.333 4.267 10 20 IICD O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(N=Nc4ccccc4)cc3)ccc2N1 812525444 ATKDSPBXNOZSEB-UHFFFAOYSA-N 435.465 4.184 10 20 IICD CN(CCc1cccc(Br)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 812876493 FQFNOANIFLVSMS-UHFFFAOYSA-N 448.430 4.386 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 916670833 OAXHOSSICXFWRM-UHFFFAOYSA-N 437.540 4.259 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 917897472 LRXZRDDDPJJGLW-UHFFFAOYSA-N 437.474 4.284 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OCc4ccncc4)cc3)cc2F)C[C@@H](C)O1 918140626 NJYDSTXSMGVFAQ-RTBURBONSA-N 449.526 4.343 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(OC)cc1 918187137 VXYRSSHRIPNQQF-HYFFOGBASA-N 429.536 4.398 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1COCc1ccccc1 918305458 IKIMIVFDPMMUTK-UHFFFAOYSA-N 431.536 4.067 10 20 IICD C[C@H](NC(=O)NCc1ccccc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 920866856 MZBXBFQFFAEQNB-INIZCTEOSA-N 437.462 4.025 10 20 IICD CCOCCOc1ccc(Br)cc1/C=C1/SC(N2CCCCC2)=NC1=O 921262358 UZVMAQWEVQLLRX-GHRIWEEISA-N 439.375 4.321 10 20 IICD CNC(=O)c1cccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)n1 1333153171 ICIVDOKIFLULMR-UHFFFAOYSA-N 437.521 4.296 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)C3CC3)[C@@H]2c2cccnc2)cc1 1813716622 DPQYUTPCIBNSPJ-NOZRDPDXSA-N 442.563 4.219 10 20 IICD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)cc1O 1845399049 IFNQFPPYVTWIHZ-UHFFFAOYSA-N 443.547 4.239 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21 97576295 PEARDSWDUPPURJ-JOCHJYFZSA-N 436.552 4.432 10 20 IICD CCc1cc(N2CCCN(c3ccc(OC)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 108855651 YDMMYQCXMKIPKR-UHFFFAOYSA-N 433.512 4.340 10 20 IICD COc1cc(N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc(OC)c1OC 607568839 KQBZXLSLTNFAAR-UHFFFAOYSA-N 444.491 4.237 10 20 IICD C[C@@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(N2CCOCC2)cc1 726145413 DDAJVJIZSCRZOK-CQSZACIVSA-N 429.492 4.416 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2c(ccc(Cl)c2Cl)C1 726190889 OHCIUUASXSLNLO-UHFFFAOYSA-N 438.330 4.237 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 726614236 PWIRVJDDYBKIHC-GOSISDBHSA-N 442.991 4.143 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3F)SC2=S)cc1 726628105 UBRKRSKEWLNKHD-AUWJEWJLSA-N 437.315 4.093 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 727170691 VGLVYYWOQQZDLP-UHFFFAOYSA-N 433.533 4.269 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 728946930 NFYQFIAYAZNWPY-OAHLLOKOSA-N 437.471 4.353 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 728950567 TYSKOSNEBNCZSG-JTSKRJEESA-N 429.948 4.021 10 20 IICD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)Cc1ccccc1O 731842799 GCXDDMAFXGPHMN-IBGZPJMESA-N 431.536 4.296 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 731844379 FVLIKKCVSBXNDI-JOCHJYFZSA-N 445.563 4.170 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1)C(C)C 735174078 JQOHKIHVPFAINY-UHFFFAOYSA-N 440.613 4.318 10 20 IICD CSCC[C@H](C)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 736063237 MFOYVKMOLQAIRE-FRRXJZEGSA-N 428.670 4.330 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1S(=O)(=O)NC(C)(C)C 739762068 JJAHFHJBGFAZQV-UHFFFAOYSA-N 440.569 4.127 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742799209 IQBJVSPISBWBTK-LJQANCHMSA-N 445.510 4.169 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 742799446 AVDYCEMFMZSXEH-RTWAWAEBSA-N 443.538 4.285 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1 743283035 UPWVWJZIPCTQOB-OFBHVFLISA-N 427.547 4.437 10 20 IICD Cn1cnc2cc(NC(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)ccc21 743784368 RPVGKVFFICEVBN-GZTJUZNOSA-N 442.591 4.255 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1F 753747636 VEPFGLJRJSJEPW-QZTJIDSGSA-N 433.321 4.049 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1 756455575 DGUCLVOQSHYSTM-QWRGUYRKSA-N 447.782 4.128 10 20 IICD COC(=O)c1cn(C2CCN(C(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)CC2)nn1 760103523 HOKIFHFEEXJVHK-UHFFFAOYSA-N 449.555 4.073 10 20 IICD COc1cc(N2CCN(C(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc(OC)c1OC 762265785 XLIOVNFNMTXQHF-UHFFFAOYSA-N 443.302 4.121 10 20 IICD Cc1ccc(Br)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 763283962 VJGOMHCOWWSAJC-GJZGRUSLSA-N 435.337 4.440 10 20 IICD CC(C)n1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)cn1 764535070 YQXPNELNPQCWML-UHFFFAOYSA-N 427.349 4.151 10 20 IICD C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 764573282 NUCNENWTEZNGDU-KOSHJBKYSA-N 447.982 4.040 10 20 IICD COc1cc(Br)cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 766484813 JLKNWTBBORWIEL-KRWDZBQOSA-N 435.318 4.376 10 20 IICD CCOc1ccc(O)c(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 769224667 WVKPLOUUFMTRLR-UHFFFAOYSA-N 433.346 4.404 10 20 IICD CCOCc1cc(CNCc2ccc(Br)cc2N2CCOCC2)ccc1OC 769928981 TWPSBANEEKASQS-UHFFFAOYSA-N 449.389 4.121 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1 773428349 IPWJGIUCQKZYGB-JTSKRJEESA-N 432.406 4.067 10 20 IICD O=C(CCc1ccc2[nH]ccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775660547 FJOCRZFAXGXUKN-UHFFFAOYSA-N 431.458 4.272 10 20 IICD Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCc1ccc(N2CCOCC2)cc1 777975096 FGKRNYYJYWAEPI-UHFFFAOYSA-N 429.492 4.163 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 781082826 CTGQGTMKDSJOEO-FLIBITNWSA-N 433.346 4.291 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 781345704 VUEDLYIEPNRSMA-UHFFFAOYSA-N 448.494 4.036 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC3CC(c4ccc(Br)cc4)C3)cc2)C1 786797832 XVBZRXXFBHVXCK-JSOIOWGOSA-N 442.401 4.187 10 20 IICD CCC(CC)[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 788236919 YXLSISOSAOWNPA-QHCPKHFHSA-N 439.625 4.150 10 20 IICD CN(c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1)C1CCCCC1 789911053 DZHAZSSINRWANH-XMMPIXPASA-N 442.625 4.290 10 20 IICD O=S(=O)(CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc(F)cc1 790310984 JCHUCJLXWYHXGF-LJQANCHMSA-N 446.569 4.434 10 20 IICD COc1ccccc1-c1nc(C2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)no1 792334366 VUELRSNAUAAMKC-UHFFFAOYSA-N 425.460 4.172 10 20 IICD CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC(F)(F)F)cc1 796761570 ODGNCZLMAUVUTO-FQEVSTJZSA-N 442.503 4.061 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)c(O)c1 797388874 DHBIHUSYIOTPNG-UHFFFAOYSA-N 436.533 4.424 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)CC(=O)N4C)cc2Cl)C1 800564744 DXDYHERHWMXODM-HNNXBMFYSA-N 426.948 4.417 10 20 IICD COc1cc(OC)cc(Oc2cccc(CNC(=O)NCc3ccc(OC)cc3O)c2)c1 805757215 XSZQRGVAFXIUED-UHFFFAOYSA-N 438.480 4.210 10 20 IICD C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C1CN(C(=O)OC(C)(C)C)C1 806425569 HOJAWJGAPUINSW-GOSISDBHSA-N 441.572 4.377 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc[nH]4)n3Cc3cccs3)CC2)cc1 812353966 DUFMUQHGFWGHEO-UHFFFAOYSA-N 434.569 4.108 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1)[C@@H]1C[C@@H]1C 815593954 BWWHPADKTQRHMI-BXKMTCNYSA-N 448.567 4.335 10 20 IICD CCc1nn(C)c(CC)c1CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 857449998 MXSNVRTWHLHSAQ-UHFFFAOYSA-N 434.584 4.395 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1C 914874186 LPCGLTAXOAZLAL-UHFFFAOYSA-N 440.493 4.223 10 20 IICD Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970706 AFHZZBIHDUSFRO-UHFFFAOYSA-N 431.558 4.210 10 20 IICD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 920905523 KPFKGWRGGNXRGP-UHFFFAOYSA-N 436.428 4.087 10 20 IICD CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1830740073 BRFGWJCYDPOYIY-IBGZPJMESA-N 448.991 4.421 10 20 IICD CCc1cccc(CC)c1NC(=S)NCCCN1CCN(c2ccc(OC)cc2)CC1 18169100 USLUYADOMNEKMM-UHFFFAOYSA-N 440.657 4.319 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccccc3Br)sc2n1 28775735 MRBDIXQKTIOCTE-LLVKDONJSA-N 448.342 4.442 10 20 IICD C[C@H](C(=O)Nc1ccc(Br)cc1Br)N(C)Cc1ccccc1O 303381483 NXZJWFOQWLMFSN-LLVKDONJSA-N 442.151 4.376 10 20 IICD COc1cc(N(C)Cc2noc(Cc3ccc(Br)cc3)n2)cc(OC)c1OC 303886876 JSKUTTYKUYDPKT-UHFFFAOYSA-N 448.317 4.085 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)n1 726288234 DMJKVOVCVDZKIG-UHFFFAOYSA-N 440.594 4.266 10 20 IICD CCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)ccc1=O 732371385 FUWHZEYFYRVEFO-UHFFFAOYSA-N 448.306 4.017 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 732436145 OWVIFZASINNYDE-INIZCTEOSA-N 440.521 4.257 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 732674088 BKSCTUFOYAEWDV-UHFFFAOYSA-N 429.586 4.322 10 20 IICD CC(C)(C)NC(=O)c1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 735751938 ZXUCOFZCTXXVBJ-UHFFFAOYSA-N 426.586 4.090 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(Nc3ccccn3)n2)cc1 736073218 CXXNGQRMDIJOAU-LJQANCHMSA-N 437.569 4.169 10 20 IICD CCN(CC)c1ccc(CN(C)Cc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 738300040 SSXGTDSMCGRLLH-UHFFFAOYSA-N 439.585 4.277 10 20 IICD C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 738742905 NAQNEFGVLMJBAF-MRXNPFEDSA-N 436.474 4.467 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2cnn(C(C)C)c2n1 742800852 VCJUYUYDKAUDNX-INIZCTEOSA-N 443.498 4.321 10 20 IICD CC(C)(C)c1nsc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 743143679 PIHKTIXRMQDNBZ-GFCCVEGCSA-N 425.505 4.228 10 20 IICD Cc1ccc([C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 745661587 JVXHNJXIDFVUOR-HUUCEWRRSA-N 431.444 4.037 10 20 IICD CCOC(=O)c1c(NC(=O)CCN(C)C[C@H]2CCOC2)sc(C)c1-c1ccccc1 749800169 GTHOZUDHSWZRDQ-QGZVFWFLSA-N 430.570 4.197 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] 749955290 INJBBYWOMLNSJU-UHFFFAOYSA-N 425.819 4.248 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 751568992 NWPWASQJWBLMOE-UHFFFAOYSA-N 431.536 4.230 10 20 IICD COc1cc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 754738537 GANZQFPGOOBBIQ-GOSISDBHSA-N 435.561 4.027 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccccn2)ccc1Cl 754833888 MDQPJIOOLXGHLI-UHFFFAOYSA-N 425.891 4.308 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc2c(c1)OC1(CCCC1)O2 756336777 PVECANHUGSSAFB-FQEVSTJZSA-N 438.524 4.053 10 20 IICD C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(Br)cc(F)c1O 756456159 CCOAHPLPFSMXGH-KZULUSFZSA-N 437.309 4.262 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1 757255315 SKZWIYMPSJLMEU-UHFFFAOYSA-N 448.445 4.304 10 20 IICD C[C@H](NC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 758407248 LIADUZBHEVYQSA-GKVQRAMASA-N 441.547 4.285 10 20 IICD C[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccc(N2CCOCC2)cc1 760398670 ACSSAXXJVHDOMK-INIZCTEOSA-N 444.457 4.219 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765981537 WOBVXPQYBXVBDH-HSZRJFAPSA-N 440.634 4.365 10 20 IICD COc1cc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCCO 768852427 QDIVGLXLDQAONS-INIZCTEOSA-N 426.488 4.104 10 20 IICD C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1ccc(N2CCOCC2)cc1 769061146 DQWNVKOZNXTDSC-OWAUWMPXSA-N 445.567 4.009 10 20 IICD COc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1S(=O)(=O)N1CCCC1 770501500 NJMRWBJEFLGRTO-UHFFFAOYSA-N 431.341 4.104 10 20 IICD O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 770582459 RUWFHVCTSBMHIY-UHFFFAOYSA-N 436.577 4.250 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 772168705 FHWGLXPXRMAABB-UHFFFAOYSA-N 443.433 4.434 10 20 IICD C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1 773987750 HCJMHWVPLKKIME-AEFFLSMTSA-N 445.510 4.084 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 774126243 NJPYOPMOENEKTA-UHFFFAOYSA-N 441.482 4.088 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1O 775056504 JXPRNIVDDVFEAI-UHFFFAOYSA-N 425.416 4.241 10 20 IICD CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(N2CCN(C)CC2)cc1 775644899 SXFMYSDJGHRFQO-UHFFFAOYSA-N 435.399 4.206 10 20 IICD CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2cc(Cl)cc(F)c2O)CC1 776177949 WPKGWKQPLWKZDJ-UHFFFAOYSA-N 431.861 4.245 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1 785547779 VLNBMLWIWNGVSI-QHCPKHFHSA-N 425.573 4.013 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(Br)c(F)cc1F 786159462 FYRFNYJGBCAIBW-UHFFFAOYSA-N 440.288 4.228 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1nc(C(C)C)ncc1Cl 791251063 XUDQFLHYXWJPON-UHFFFAOYSA-N 432.952 4.256 10 20 IICD C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 793930226 JSGSSCKHDYFCOJ-REWPJTCUSA-N 449.595 4.005 10 20 IICD CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2C(F)(F)F)NC(=S)N1 794782897 YEJBXKZGSJKIOU-SFHVURJKSA-N 434.487 4.203 10 20 IICD CCn1ncc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C(F)(F)F 799237759 JQBUMXFJJZDVDS-GFCCVEGCSA-N 447.408 4.314 10 20 IICD CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)n1 800769250 NZSGEEKROKPQMJ-KRWDZBQOSA-N 435.532 4.007 10 20 IICD CC(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(S(N)(=O)=O)c1 804691149 PVFLADKNLOQCOT-CQSZACIVSA-N 435.977 4.038 10 20 IICD CCCCn1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C(C)C 807511011 CCZLGVPXQXQSSR-UHFFFAOYSA-N 427.332 4.074 10 20 IICD C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 808747559 QRZSQNZIOYLUOJ-VLIAUNLRSA-N 429.483 4.119 10 20 IICD CC(C)(C)OC(=O)NC[C@@](C)(O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 809952956 HHIGUIKBLHHVSX-WZONZLPQSA-N 447.601 4.097 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3F)n2)cc1 916088692 AQPAUBIEBSESNG-UHFFFAOYSA-N 426.878 4.190 10 20 IICD Cc1cccc(OCCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916456538 HTKWVOMCOVGPMP-UHFFFAOYSA-N 436.474 4.326 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cc3c(s1)CCCC3)c2[N+](=O)[O-] 916488865 JDTVMQLVEVDTJQ-UHFFFAOYSA-N 446.484 4.241 10 20 IICD Cc1cc(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)c(C)n1-c1ccccn1 916947545 MORXFGBPKHRACY-UHFFFAOYSA-N 437.301 4.289 10 20 IICD CCOc1ccc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)[nH]c2c1 917380496 AUWBDIFUACKEOF-UHFFFAOYSA-N 447.457 4.352 10 20 IICD C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 918075955 XVVYOPQOMWZMDQ-KBXCAEBGSA-N 437.462 4.258 10 20 IICD C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 918075956 XVVYOPQOMWZMDQ-KDOFPFPSSA-N 437.462 4.258 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OC(F)F)c1 918212534 JDJJJSPQWXPPSZ-INIZCTEOSA-N 433.499 4.057 10 20 IICD CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 919777054 DKHTYILPTPAEOM-KRWDZBQOSA-N 426.586 4.090 10 20 IICD CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971766 WKMSFDMJJSUFSO-UHFFFAOYSA-N 433.527 4.485 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nnc(C(F)F)s1 920229430 VIDGQASUBHWPQP-VQHVLOKHSA-N 446.551 4.157 10 20 IICD Cc1ccc(Nc2ccccc2C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 920745612 MDXTUUZAOWDNKZ-UHFFFAOYSA-N 435.549 4.226 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(Br)ccc1-n1cccn1 1318870436 BEJIENSOHODQBN-UHFFFAOYSA-N 438.329 4.333 10 20 IICD O=C(CC1CCC1)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674063 OQAGBKCLDXBJBU-UHFFFAOYSA-N 444.535 4.104 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4CCCO4)C3)CC2)cc1 1810219355 IIZREVDWYXGSNS-XMMPIXPASA-N 449.595 4.118 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 14253389 VJOQWJRUKYHXLF-UHFFFAOYSA-N 442.971 4.312 10 20 IICD O=[N+]([O-])c1cccc(-c2nc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)c1 238165147 NWWNZJUTAJDJQQ-UHFFFAOYSA-N 442.516 4.108 10 20 IICD OC1CCN(c2ccc(CNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)cc2F)CC1 301325486 YLWYQURQSQCWCB-UHFFFAOYSA-N 447.436 4.270 10 20 IICD COc1cccc(CNc2ncccc2C(=O)Nc2ccc(Br)cc2)c1O 301993312 RDGKNDQRIBVBCN-UHFFFAOYSA-N 428.286 4.423 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(OC[C@@H]2CCCO2)c1 303023018 RMHRZZSZFPBKFN-VWLOTQADSA-N 435.568 4.029 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)n(C)c2ccccc12 527172153 HBSBWJIPPDFKED-UHFFFAOYSA-N 437.503 4.056 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 679877142 MIKIDNLZAIJVBM-UHFFFAOYSA-N 435.553 4.203 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)cc1 726611681 UMOCEBOWXHKGHR-UHFFFAOYSA-N 437.462 4.105 10 20 IICD CCCNC(=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726696599 TVQFCQMDHUTSNQ-UHFFFAOYSA-N 446.498 4.218 10 20 IICD COCCOc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726699105 URPCHCVAGTTXHX-UHFFFAOYSA-N 435.471 4.104 10 20 IICD COc1cccc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1O 727762483 LJRBXVLMBNUGKL-UHFFFAOYSA-N 434.418 4.054 10 20 IICD C[C@@H](NC(=O)N[C@H]1CCc2c(Br)cccc21)c1ccc(N2CCOCC2)cc1 727843199 UHOOXZIJNLYSNZ-VFNWGFHPSA-N 444.373 4.333 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OCC(F)F 731131824 NJAOVJCBFRCYSK-UHFFFAOYSA-N 445.510 4.130 10 20 IICD Cc1cc(C(=O)CN2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)n1-c1cccc(F)c1 734152790 VHAXPSGYQTXJRX-UHFFFAOYSA-N 439.575 4.386 10 20 IICD CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 735251264 SBQAUZMXPADTHO-GOSISDBHSA-N 449.364 4.310 10 20 IICD C[C@H]1Sc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2NC1=O 742801019 WQFKVQGUAABGRT-HIFRSBDPSA-N 447.507 4.120 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCN(CC(C)C)C1 746328637 OOLKHSIEJXYZFA-INIZCTEOSA-N 426.399 4.054 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 746772865 PBPXFTSYSAZJNQ-UHFFFAOYSA-N 441.553 4.125 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)ccc1F 747855866 BXAMULOFEVARKM-UHFFFAOYSA-N 432.907 4.252 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 748856158 FZPNGANBCZZUSG-UHFFFAOYSA-N 441.329 4.480 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3ccc(OC4CCOCC4)nc3)ccc21 752530582 OJLSDRSCHHXUSH-UHFFFAOYSA-N 438.524 4.214 10 20 IICD O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(N2CCSCC2)cc1 761098174 KGVJQINWWIONSJ-UHFFFAOYSA-N 449.498 4.223 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(OC2CCCCC2)nc1 761198316 CULVEKHWGLWWKU-UHFFFAOYSA-N 429.904 4.117 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(COCC(F)(F)F)c1 761896393 OCCCSMDMQLYEMD-UHFFFAOYSA-N 442.821 4.089 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4ccc(Br)cc43)cc2)C1 771381769 GWDUATSCEKYYCW-XMSQKQJNSA-N 442.401 4.318 10 20 IICD C[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(N(C)C)cc1 773993510 HBHLYGFUFGVEEL-INIZCTEOSA-N 432.549 4.068 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@@H]1CCO[C@@]2(CCSC2)C1 776250616 JKQNDIQVJOSNDC-DOMZBBRYSA-N 437.197 4.062 10 20 IICD O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccc(COCC(F)(F)C(F)F)c1 776748639 AAVMYSGNWMTSET-UHFFFAOYSA-N 427.803 4.263 10 20 IICD COc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 786759567 IRWGQYFYDBPWKD-IRXDYDNUSA-N 443.975 4.079 10 20 IICD C[C@@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(Br)ccc1O 786980340 RKCKUJHQNCPJOE-XIKOKIGWSA-N 439.300 4.275 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1 787853362 DMLOFTUVRWTINH-KRWDZBQOSA-N 445.510 4.114 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1C(F)(F)F 789725744 BDAOKTOSGUXVQZ-UHFFFAOYSA-N 432.401 4.009 10 20 IICD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(Cl)cc(Cl)c3O)cc2)C1=O 790610979 PKHQXXNTOVUFJS-NRFANRHFSA-N 434.323 4.214 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCC(NC(=O)C3CC3)CC2)cc1 793477332 JGXDLGVVEDLOCD-UHFFFAOYSA-N 449.595 4.379 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)c(Br)c(Cl)c1 795494578 QSBXEMTVKYNKOQ-UHFFFAOYSA-N 427.701 4.008 10 20 IICD Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800050154 OPXPZGAEIDILDE-HNNXBMFYSA-N 434.989 4.218 10 20 IICD COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(C)c(OC)c1 800600168 KVNYILOSWKBKEJ-UHFFFAOYSA-N 439.556 4.036 10 20 IICD CCc1nc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cs1 806115080 QZHMZFKFCJBYCZ-HUUCEWRRSA-N 449.020 4.089 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)cc1F)C1=Cc2cc(Br)ccc2OC1 808114985 KCUYMSKGBZTFIO-UHFFFAOYSA-N 434.670 4.122 10 20 IICD CC[C@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1O 810214567 BHVQXWCHHWEOFU-FQEVSTJZSA-N 435.490 4.320 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 813684754 VXVTXYJXKKIFFI-YJYMSZOUSA-N 435.351 4.315 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3OC)n2)cc1OC 844249067 YCRJXUAISMYXDA-UHFFFAOYSA-N 440.930 4.290 10 20 IICD O=C(NCc1cc(Cl)ccc1O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 857547596 LNTGFBIUCADRBT-GOSISDBHSA-N 429.731 4.042 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)cc1OC 915290319 KWTYGKKUFBWPCN-UHFFFAOYSA-N 428.894 4.421 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 917235288 WPVBSTRRDVODSZ-XMMPIXPASA-N 445.519 4.084 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 917386194 SFOXKOYWXQMPHQ-UHFFFAOYSA-N 440.569 4.068 10 20 IICD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1ccc(N2CCOCC2)c(F)c1 917710041 ZNHCNVPTYZAQCF-UHFFFAOYSA-N 445.947 4.298 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCC1CCCC1 918506386 DHMQIQLRLQZBOY-OQLLNIDSSA-N 440.384 4.384 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2Cc2ccccc2Cl)c1 919954882 RRPUHOWQAHBGFE-HSZRJFAPSA-N 442.987 4.288 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 1317759814 XWGRHNKRGPYITG-UHFFFAOYSA-N 437.927 4.472 10 20 IICD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1801752100 LDGLITAMEGPMNM-DQEVTTJGSA-N 442.943 4.197 10 20 IICD CCN1C/C(=C\c2ccc(N3CCOCC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1 9285573 BZVMNQGYDICVDE-XDJHFCHBSA-N 429.520 4.146 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)cc1 108925064 QOTKZLAPGTVYMN-UHFFFAOYSA-N 444.457 4.252 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1C 195582705 VHGHMIZOEAHGOC-UHFFFAOYSA-N 431.536 4.056 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H](C)NC(=O)C2CCCC2)cc1 303544372 VCFDIVVTYXSTPA-IBGZPJMESA-N 437.584 4.379 10 20 IICD Cc1c(CNC(=O)N[C@@H](CCO)c2ccccc2Br)n(C)c2ccccc12 472283378 XMUHIRKTJLVXGO-SFHVURJKSA-N 430.346 4.172 10 20 IICD C[C@@H]1Sc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cc2NC1=O 728839623 KGUMVENODZZECS-ZDUSSCGKSA-N 437.487 4.390 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](C)N3CCc4sccc4C3)cc2)CC1 731049528 AHBQPPPDSDINEF-IBGZPJMESA-N 426.630 4.230 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1cc2c(cc1Cl)OCCCO2 731844165 NGZRNXNRIMISLG-UHFFFAOYSA-N 442.899 4.441 10 20 IICD COc1cc(-c2nc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cs2)ccc1O 732808286 NFBUXKZNBUFTFO-IBGZPJMESA-N 426.538 4.411 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 734702007 PEFMOOWKENUTHJ-UHFFFAOYSA-N 440.563 4.224 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@H]1CCCO1 735328397 ANOXOFAVTNTEBL-YMBPQHFPSA-N 442.562 4.418 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3cc4ccccc4o3)cc2F)C[C@@H](C)O1 740032771 STFCGJBARKOIBU-CALCHBBNSA-N 425.504 4.227 10 20 IICD C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 741734618 XHPWESPXLKHGDN-QFIPXVFZSA-N 443.591 4.249 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)nn1 743192587 WSQALKVWTBRBRW-UHFFFAOYSA-N 435.553 4.452 10 20 IICD Cc1ccc(O[C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 743674397 KFCGKPLBFBLKND-QGZVFWFLSA-N 433.499 4.332 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 743873040 GZWAAASLJBLUKH-KSSFIOAISA-N 433.346 4.005 10 20 IICD O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 743888267 UTNWRMPJVHLGLU-UHFFFAOYSA-N 432.398 4.258 10 20 IICD COc1ccc(C2(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)cc1 745812775 SSVUJPXTIHGKMA-KRWDZBQOSA-N 431.483 4.254 10 20 IICD CC(=O)c1cccc(OC[C@@H](O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 749165792 JINDEJXHOYISEU-FQEVSTJZSA-N 439.533 4.168 10 20 IICD O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)Nc1ccc(N=Nc2ccccc2)cc1 752157947 ZVPOTTDLTWDVBH-GOSISDBHSA-N 444.538 4.120 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)CC2)cc1F 753882782 ZIDHGTAUZYMGMX-IBGZPJMESA-N 443.519 4.136 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](Cc3ccccc3)c3sccc3C)nc12 754360268 CQGYJVBRUKCELW-LJQANCHMSA-N 436.537 4.055 10 20 IICD CC(=O)N1CC[C@@H](CN(C)CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1 755045961 QGFXDEGTEDBWAD-KRWDZBQOSA-N 436.383 4.384 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CC(C)C)c3nc(-c4nc[nH]n4)no3)c2C)c1 757942422 BWWVZQIUUMXNFC-LJQANCHMSA-N 433.516 4.088 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)OC)cc3)SC2=S)c1 758416938 UEOQYCPMIHIRML-VCRXTVNUSA-N 443.546 4.431 10 20 IICD C[C@H](c1cccc(OC(F)(F)F)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762098954 MILXOUDKPSJVNO-LLVKDONJSA-N 428.794 4.470 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1 764251009 BJBMCKFQOLBCIU-UHFFFAOYSA-N 434.540 4.402 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nnn1Cc1ccc(F)cc1 766393562 SLIHRGNUEOYWRO-UHFFFAOYSA-N 447.514 4.276 10 20 IICD O=C1C[C@@H](NCc2cccc(Br)c2O)CN1Cc1ccccc1C(F)(F)F 767190756 JHZSGLPMAHJCPF-CQSZACIVSA-N 443.263 4.064 10 20 IICD Cn1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2ccc3c(c2)OCCCO3)n1 768162604 RSSGNTASBJKIHY-QFIPXVFZSA-N 449.551 4.135 10 20 IICD CN(CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cc2c(cc1O)OC[C@H]2O 768439479 IAUOAQMUMIUYTA-HSZRJFAPSA-N 426.488 4.457 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC(O)(c2ccccc2)CC1 768527441 YGADRSHBMWWWHX-UHFFFAOYSA-N 441.163 4.401 10 20 IICD CCn1nc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 769724634 WJWVMYJNBNAZJV-UNOMPAQXSA-N 425.535 4.479 10 20 IICD Cc1nc(-c2cc3c(s2)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C3)cs1 772322683 GXGXODVFMNARBL-UHFFFAOYSA-N 440.638 4.263 10 20 IICD Cc1cc(Br)cc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O 775740393 VUSDHNJFZZZYFI-HNNXBMFYSA-N 430.751 4.077 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 778392397 NVLVHKLPQMGTOW-KSSFIOAISA-N 439.478 4.079 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1O 779048702 ZQSLWZDGPOFUHM-KGLIPLIRSA-N 444.333 4.427 10 20 IICD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897654 ZMZXCIKQWKDAQC-UHFFFAOYSA-N 444.553 4.239 10 20 IICD COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCCS2 783221926 JBAWSRLUSKAYLW-PGRDOPGGSA-N 425.598 4.114 10 20 IICD COc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc(S(C)(=O)=O)cc2)SC1=S 792567455 BDGHXLWBYYSZGJ-SXGWCWSVSA-N 439.967 4.158 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 794899020 HICYXUCBOPJVDR-LEWJYISDSA-N 434.458 4.184 10 20 IICD Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 794974388 LCLUDTOVHAIORJ-UHFFFAOYSA-N 439.943 4.442 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCC(NC(=O)C4CC4)CC3)c2C)cc1 795960393 PSLGMYDCLPPYNP-UHFFFAOYSA-N 436.552 4.213 10 20 IICD COc1cccc(OC)c1S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800148953 UBAXRYSSHNRTSM-HNNXBMFYSA-N 438.977 4.072 10 20 IICD CC(C)(CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807362215 KIVCOQJFZMHYNB-UHFFFAOYSA-N 439.516 4.460 10 20 IICD C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 808780651 VWVXEMXFKGXKON-MHECFPHRSA-N 432.520 4.344 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCCc2c[nH]c3cccc(Br)c23)c1 812512794 JRVJQHSVVKLXKQ-LBPRGKRZSA-N 432.318 4.248 10 20 IICD Cc1cc(C(=O)Cn2cnc3ncccc3c2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 852348530 LWCSJEYXQCVNDD-UHFFFAOYSA-N 427.291 4.389 10 20 IICD O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1c1ccccc1 916140009 ONOIOMURYHWLSY-HMMYKYKNSA-N 433.558 4.477 10 20 IICD CCc1ccc(CNC(=O)CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)s1 917191917 UIKWPCCUGONKKJ-UHFFFAOYSA-N 443.594 4.374 10 20 IICD CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 918199343 VMZAUFZAJJCVOR-OVCLIPMQSA-N 427.931 4.288 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)n1-c1ccccc1 918249944 IOOFPFGNJGNVLI-UHFFFAOYSA-N 444.579 4.382 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C2CC2)cc1 918454721 CDMTVADFLIXCHZ-UHFFFAOYSA-N 441.622 4.361 10 20 IICD C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 920420027 PQXYAMMXQXRVHF-KRWDZBQOSA-N 446.389 4.058 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCCN4C)cc2F)C[C@@H](C)O1 920784095 UWVQCEAZWNOMNB-CALCHBBNSA-N 426.536 4.143 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 1115884468 AJQUFJZKXSMXBD-UHFFFAOYSA-N 448.542 4.182 10 20 IICD CCCN(Cc1nc(O)c2sccc2n1)Cc1cc(Br)cc(OC)c1O 1253975960 JVKZEFJGPAQGNH-UHFFFAOYSA-N 438.347 4.286 10 20 IICD C[C@H]1CCCN(C(=O)CCN[C@H](C)c2cc(Br)cc(Br)c2O)C1 1320134291 VNTPIASBUCJWGA-NWDGAFQWSA-N 448.199 4.216 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 1341683493 JWUVPZFKIHXFCE-UHFFFAOYSA-N 439.556 4.324 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@]2(F)Cl)cc1 1802494867 QCIKURPFWHARDV-SREQLBMHSA-N 443.950 4.270 10 20 IICD COCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 21963326 VJASUVVNEUZFCW-UHFFFAOYSA-N 428.529 4.296 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1 110907640 QXHYCNLTUYIBAI-UHFFFAOYSA-N 433.899 4.284 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)ccc21 302814781 NBVMSGVJSVDDNV-UHFFFAOYSA-N 439.971 4.235 10 20 IICD CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 444037870 WRSHGKCMBHJVRU-UHFFFAOYSA-N 442.401 4.293 10 20 IICD Cc1cc(-c2nc(CCn3ccc4ccccc43)no2)ccc1NC(=O)C1=S=CC=C1 460152906 DNBFSOFXFHDVBS-UHFFFAOYSA-N 428.517 4.459 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CCN(c3cccs3)CC2)C1 683446134 ACYWTYWXLFOAAD-UHFFFAOYSA-N 436.625 4.255 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)cc1F 726293452 IGQVVQYRGNQMOC-UHFFFAOYSA-N 431.867 4.115 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1 726693920 SGVZHHBXBWPQHR-UHFFFAOYSA-N 436.556 4.112 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)c2C)c1 728200836 DCRVSBXDORLMPK-UHFFFAOYSA-N 435.549 4.180 10 20 IICD CC(C)OCc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 728835511 CGJXIQQNRBLMQJ-UHFFFAOYSA-N 431.536 4.356 10 20 IICD Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 729660046 DNHAPWVROQTPIZ-FQEVSTJZSA-N 426.428 4.096 10 20 IICD COC1CCN(C(C)(C)CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 730791915 ZHMHELNAIDEFDM-UHFFFAOYSA-N 432.008 4.296 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)cc1F 731408591 RMLHALDEBAPMLV-UHFFFAOYSA-N 447.601 4.405 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C2CC2)nn1 734775140 PADOCNFGVMJACV-PTNGSMBKSA-N 430.580 4.036 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 741097070 KCLSHLAKJAMNCF-UHFFFAOYSA-N 448.910 4.158 10 20 IICD CCc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nc(C)n1 741983158 MORFRRKPYCNVOS-PTNGSMBKSA-N 432.596 4.029 10 20 IICD CC(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 742907150 JXMZTEQRMHFYCO-RBFDBLARSA-N 440.681 4.330 10 20 IICD C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C(=O)N1c1ccccc1 743954982 NEDSSRVSUOPIMX-VGSWGCGISA-N 441.491 4.351 10 20 IICD C[C@H](NC(=O)c1cccc(CSc2nccn2C)c1)c1ccc(N2CCOCC2)cc1 749172376 CAODBLKOOFHWDQ-SFHVURJKSA-N 436.581 4.040 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 750830142 YBGBFUPXKFNPRJ-UHFFFAOYSA-N 426.698 4.349 10 20 IICD CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751936510 IWZWTAMGKRXVCI-HZPDHXFCSA-N 437.565 4.301 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 761359546 LVJBLDAGRRIQSU-IBGZPJMESA-N 446.522 4.313 10 20 IICD CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)[C@H](O)c1ccc(Br)cc1 762791341 QKQPXSBEJUOFSQ-HXUWFJFHSA-N 437.353 4.027 10 20 IICD C[C@@H](CC(=O)NCCCSc1nccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763386017 IKGYCJFELIUXKS-HOTGVXAUSA-N 427.636 4.415 10 20 IICD CCOc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765275930 ISUQEOZBBDHOOU-IBGZPJMESA-N 435.547 4.192 10 20 IICD C[C@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 765364876 XUPNNOSHNGNBAS-IBGZPJMESA-N 425.548 4.139 10 20 IICD CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)c(Cl)c1 765979422 SRKVNDKVWRTXIJ-HXUWFJFHSA-N 427.397 4.469 10 20 IICD C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCCCCC2)cc1 766561678 DQILKCUDKHDEOH-MRXNPFEDSA-N 433.540 4.032 10 20 IICD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cccc(Br)c2O)CC1 768812297 IJKJVMIIGSKIOP-HNNXBMFYSA-N 443.345 4.084 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 769532772 SLDFJLYOEJXXNW-UGSOOPFHSA-N 425.451 4.083 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1CSc1ncccn1 773745549 LAAQIABFOYKILO-AWEZNQCLSA-N 435.505 4.287 10 20 IICD CC[C@H](NC[C@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Br)ccc1O 775511237 CTPZKWUYFWEADX-QRWLVFNGSA-N 438.362 4.064 10 20 IICD Cc1cc(Br)cc(CN2CCC(n3cc(Br)cn3)CC2)c1O 775694280 HTCHRDOEGMKHSA-UHFFFAOYSA-N 429.156 4.259 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3c(C)ccc4cccnc34)n2)cc1 778078586 KXPRGRCHRMQPKW-UHFFFAOYSA-N 438.534 4.426 10 20 IICD COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ccc(O)c(O)c2)c1 778919688 JPNBCRGCYNIDBP-UHFFFAOYSA-N 429.476 4.198 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 779160541 FIOOLNJXRGJEEV-IEBWSBKVSA-N 432.565 4.320 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccc(N)cc1 783483035 MJNWXTPPTFIHFI-HNNXBMFYSA-N 446.482 4.026 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784242464 WUAYVDDLVOULSR-LJQANCHMSA-N 433.474 4.241 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 786527082 QJOLUVJYZBGZJY-MRXNPFEDSA-N 427.497 4.338 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc2[nH]ccc2c1 788283367 WQORJVNLTBWPBN-ROUUACIJSA-N 438.547 4.063 10 20 IICD Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 788931262 COZUQDXVCBRZHM-UHFFFAOYSA-N 445.563 4.076 10 20 IICD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 789590588 UUOGQVZWHBJJKQ-IBGZPJMESA-N 439.519 4.496 10 20 IICD CCOc1ccc(CN(Cc2nnc3n2CCOC3)c2ccc(OC)c(Cl)c2)cc1 797967872 KYAPECHELFANGO-UHFFFAOYSA-N 428.920 4.076 10 20 IICD COC(=O)c1c(NC(=O)c2cnnn2C)sc(C)c1-c1ccc(Cl)cc1Cl 798387929 KIWGIHZSDLEOKS-UHFFFAOYSA-N 425.297 4.198 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 798989391 NGWYVBUITXORFQ-ROUUACIJSA-N 441.524 4.484 10 20 IICD CSc1ccc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 799199273 VIOMMVGRNFDWFN-FGTMMUONSA-N 445.604 4.128 10 20 IICD CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O 804159482 KZQUBPZCVYIBQG-QHCPKHFHSA-N 427.932 4.175 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 809372580 QHKKVZXQNZPWLP-HNNXBMFYSA-N 438.446 4.297 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] 814116606 HFWNXDFAMNWXGP-OAHLLOKOSA-N 433.455 4.259 10 20 IICD O=C(Oc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 814285359 SKATULQSSCNAKH-LICLKQGHSA-N 426.475 4.178 10 20 IICD CCOC(=O)CCCNC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814771158 LWVHXBKALJJVFU-YBEGLDIGSA-N 448.591 4.064 10 20 IICD Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 849485486 XCWIVDUWWHRRAN-UHFFFAOYSA-N 429.442 4.431 10 20 IICD CN1CCN(c2ccc(CNc3cc(C(=O)N4CCCCC4)ccc3Cl)cc2)CC1 864003354 NDSLHMBHFPKISH-UHFFFAOYSA-N 426.992 4.330 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)n2)cc1 915219079 NQJYHWGTKISIQR-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(Cl)c3)n2)s1 915291009 LJISRCYERAIHDB-UHFFFAOYSA-N 441.987 4.270 10 20 IICD CCNC(=O)COc1ccc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)cc1OC 915680574 LFQSSHXFYBSTAB-UHFFFAOYSA-N 435.568 4.216 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N3CCSCC3)cc2)nc2ccccc21 917386350 MYWJNWIIKVINSC-UHFFFAOYSA-N 426.611 4.018 10 20 IICD O=C(CCCCc1nc2ccccc2s1)NCc1ccc(N2CCOCC2)c(F)c1 917710007 YVICJTKONBPRAS-UHFFFAOYSA-N 427.545 4.301 10 20 IICD CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC(C(C)(C)C)CC1 918123255 RXTZOXOSDKQJJU-QNGMFEMESA-N 428.621 4.135 10 20 IICD Cc1cc(C(=O)Nc2ccnn2C[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1 1251471498 FNJHNUVEPSNCNL-INIZCTEOSA-N 443.345 4.342 10 20 IICD NC(=O)c1ccc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 21729488 IWBPPZVLCYGDOZ-SFHVURJKSA-N 438.509 4.029 10 20 IICD C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOCC2)cc1 109181067 BGMOYHQWXZZBGT-INIZCTEOSA-N 440.931 4.037 10 20 IICD COc1ccc(N(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C(C)C)cc1F 725815814 BFBJPGWSGSVWAA-FQEVSTJZSA-N 430.520 4.430 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(C)n1-c1nccs1 726197621 VXYWBTSVIXDLTG-ATVHPVEESA-N 426.592 4.390 10 20 IICD O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 732063180 XDRKQLIGZGPDMY-UHFFFAOYSA-N 439.943 4.093 10 20 IICD COc1ccc(N2CCCN(Cc3csc(-c4ccc(O)c(OC)c4)n3)CC2)cc1 732807340 OGVDHJXCSJJKCG-UHFFFAOYSA-N 425.554 4.245 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)CC2CCOCC2)sc(C)c1-c1ccccc1 735356749 AWJTZKVBQOLXIO-UHFFFAOYSA-N 445.537 4.199 10 20 IICD CCn1c(SCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccc21 735518699 JSKUUVYDIJOQDN-SFHVURJKSA-N 425.554 4.062 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 737127764 WYPHSOGUKJWMGC-UHFFFAOYSA-N 440.544 4.135 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 742780324 GMZZGZYJAFWCMM-GOSISDBHSA-N 447.535 4.336 10 20 IICD Oc1ccccc1CN(C[C@@H]1CCCO1)C(=S)NCc1ccc(OC(F)(F)F)cc1 742977936 KZSNYUKGLVNCOI-SFHVURJKSA-N 440.487 4.347 10 20 IICD Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 745690755 DIAIZXJRUJLHIX-XUZZJYLKSA-N 434.584 4.052 10 20 IICD COCc1c(Br)cccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 750717773 UAXHGFKKFHLBET-HNNXBMFYSA-N 448.361 4.315 10 20 IICD COc1cccc([C@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 753201899 ANJACZLLMPAKSC-MRXNPFEDSA-N 436.474 4.361 10 20 IICD CN1CCN(c2ccc(CNC[C@H](Cc3ccc(-c4ccccc4)cc3)C(=O)O)cc2)CC1 756307974 RIODBOQVLLFSII-SANMLTNESA-N 443.591 4.139 10 20 IICD C[C@H](NCc1cn2ccsc2n1)c1cc(Br)cc(Br)c1O 756456399 OOCGPHOPNIJTLJ-QMMMGPOBSA-N 431.153 4.477 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4cccc(Cl)c4o3)CC2)cc(OC)c1OC 759220885 MJNZHGVIYXLUFT-UHFFFAOYSA-N 430.888 4.074 10 20 IICD C[C@H](O)C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 759573576 MSAQEMKAAQKVOQ-PKOBYXMFSA-N 447.526 4.111 10 20 IICD C[C@H]1N(Cc2c(O)ccc3ccc(O)c(CN4CCOC(C)(C)[C@H]4C)c23)CCOC1(C)C 763210211 GLJDHZUOKRJFDI-QZTJIDSGSA-N 442.600 4.250 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccccc2Cl)CC1 763565985 XQRKKIDIMPANPV-UHFFFAOYSA-N 427.976 4.080 10 20 IICD C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1 764788820 BZRAZHRUXMDEBD-CRAIPNDOSA-N 432.362 4.007 10 20 IICD Fc1cc(CN[C@@H](Cc2ccccc2)C2CC2)ccc1N1CCN(c2ncccn2)CC1 765281795 PISSMNPDYHRJMP-DEOSSOPVSA-N 431.559 4.053 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCCC2)cc1 765329945 JIZZIIBFAJMVSL-AUSIDOKSSA-N 437.584 4.042 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@H]1C[C@H]1c1cccc(Br)c1 765756887 OAOUKMWMIGPDDG-KBPBESRZSA-N 425.120 4.337 10 20 IICD COc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC(F)F 768915391 KSJFOAJIUGWTGB-INIZCTEOSA-N 440.874 4.050 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CCCCC1)C1CC1 769715873 ZPALKXWCMPFBGA-UHFFFAOYSA-N 434.583 4.439 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cn2c(n1)CCCC2 779830830 LBHOBFGVFJGONQ-UHFFFAOYSA-N 426.523 4.003 10 20 IICD Cc1cc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Br)c(C)c(C)c1O 782467771 CYARABLVSMNBOB-UHFFFAOYSA-N 448.722 4.232 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1 783318349 XDXHFXOSWFUKGV-UHFFFAOYSA-N 425.573 4.443 10 20 IICD COCCOc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783485171 HJJNEMKGMQTGDP-GOSISDBHSA-N 433.508 4.027 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 786873549 ASJKZMLWZSHUJR-UHFFFAOYSA-N 444.456 4.053 10 20 IICD C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788908866 CBJJHXNWSCYLOK-MRXNPFEDSA-N 433.474 4.141 10 20 IICD C[C@H](NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(N(C)C)cc1 799370581 PYPADISHKXDMAS-KRWDZBQOSA-N 436.581 4.204 10 20 IICD CC[C@H]1CCc2nc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)sc2C1 799432523 TZQZUXCSVZFXJP-AWEZNQCLSA-N 432.565 4.080 10 20 IICD COC(=O)CCn1nc(C)c(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C 800526086 BKCFLFLBWLQPJX-MRXNPFEDSA-N 432.996 4.243 10 20 IICD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 803661759 LWXZIEQRAIORMM-KRWDZBQOSA-N 449.526 4.061 10 20 IICD CCN(C)C(=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 806777470 GRDQJAFEQUKJRK-UHFFFAOYSA-N 446.498 4.170 10 20 IICD COc1ccc([C@H](O)C2CCN(Cc3cc(Br)cc(OC)c3O)CC2)cc1 812774814 XSSZCNQSAXAUCP-FQEVSTJZSA-N 436.346 4.118 10 20 IICD CCC(CC)(CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC 817056409 BVZPRAVOUHLBFC-NTCAYCPXSA-N 426.629 4.051 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)s1 844255022 HBPLGUPXPXMVPW-LFIBNONCSA-N 435.368 4.480 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2nc(-c3ccccn3)no2)c(C)n1-c1cccc(F)c1 915046996 SVGJTHCPIIQZFN-UHFFFAOYSA-N 448.454 4.037 10 20 IICD COc1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)ccc1OCC(F)(F)F 916389096 OZAVJDOFHYPTFK-UHFFFAOYSA-N 437.462 4.236 10 20 IICD Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917714729 OKICCVITHGTGJU-KBPBESRZSA-N 429.517 4.394 10 20 IICD CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C 918048186 OZESMVWRVBNVTG-IYBDPMFKSA-N 442.535 4.336 10 20 IICD CCOc1ccccc1C(=O)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 918090869 BXQXREQSIGMDIF-UHFFFAOYSA-N 437.565 4.153 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 918208347 BWGXJCIBLNGZAM-UHFFFAOYSA-N 446.517 4.333 10 20 IICD COc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918215418 GLCPVWHCRQYCJV-HUUCEWRRSA-N 435.927 4.101 10 20 IICD CC(C)Oc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918220369 XEIRVWFCXMPCFE-ROUUACIJSA-N 429.536 4.226 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 918612813 ORRGJTFLSBAKQD-QGZVFWFLSA-N 437.565 4.304 10 20 IICD COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921261595 MKDPNMQPIFWFKS-OVCLIPMQSA-N 445.419 4.001 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cnc(Cc4ccccc4F)s3)CC2)cc1 1320679623 SFSVSPMFYQHMIW-UHFFFAOYSA-N 425.529 4.234 10 20 IICD Cc1nn(-c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)c(C)c1Cl 10906897 VCUMHCGKTJMPDA-UHFFFAOYSA-N 438.959 4.251 10 20 IICD O=S(=O)(c1ccccc1CNCc1ccc(N2CCCCC2)cc1)N1CCCCC1 238030290 YCFJUIVKRWZKSJ-UHFFFAOYSA-N 427.614 4.141 10 20 IICD Cc1cc(-c2nc([C@H]3CSc4ccccc4O3)no2)ccc1NC(=O)C1=S=CC=C1 446014928 BNMGIQIWCRCEMC-QGZVFWFLSA-N 435.530 4.487 10 20 IICD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)NCc1c(C)c2ccccc2n1C 472219379 INRHJBLKQXYZQI-NRFANRHFSA-N 434.540 4.116 10 20 IICD Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 725736059 PZSVOBRJJXNTSH-HKUYNNGSSA-N 426.561 4.255 10 20 IICD CCCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 728697932 JOJDMTUBUFFXKE-WJDWOHSUSA-N 445.313 4.098 10 20 IICD C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 735325524 CQZHUASFUZZBBB-ZDUSSCGKSA-N 439.400 4.111 10 20 IICD O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 735517667 MMXLDKOONRGPNL-JOCHJYFZSA-N 434.492 4.166 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2)cc1 741100033 QMGMHGVMFGWLJZ-UHFFFAOYSA-N 427.504 4.418 10 20 IICD O=C(NC[C@H](c1cccs1)N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 745279420 QQYRLCGGVROMDY-OAQYLSRUSA-N 443.613 4.372 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOc1ccccc1F 745392497 RLOPZJPZVRSJDO-UHFFFAOYSA-N 425.298 4.294 10 20 IICD CCOc1cc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OC 746015338 RZZWDPUJOPTWSH-YBEGLDIGSA-N 447.354 4.114 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 750628147 QJLXDPFOPGEBAR-UHFFFAOYSA-N 426.561 4.297 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)CC2)cc1F 753733391 ZHPNLYOZOISZCS-UHFFFAOYSA-N 448.420 4.001 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2cc3c(cc2O)CCCC3)N2CCOCC2)cc1OC 756360935 FDUNIDQQRCNUFO-JPYJTQIMSA-N 440.584 4.012 10 20 IICD Cc1cc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c(C)n1-c1ccc(Cl)cc1 756376990 NJIAZNFAZKWWTN-UHFFFAOYSA-N 443.035 4.237 10 20 IICD COc1ccccc1NC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 768840622 GAZMKWPIAJEQQW-UHFFFAOYSA-N 449.345 4.023 10 20 IICD CCO[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 770261840 KTLPQIKIAZZQTD-PMAPCBKXSA-N 429.536 4.016 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(CCOCc2ccccc2)CC1 770344453 LGVWERFCHPFWOD-UHFFFAOYSA-N 439.625 4.426 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)CC2)cc1 772017877 KLJMHQNWCXOALJ-UHFFFAOYSA-N 425.529 4.313 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1 772697871 QLBRIWJFEMRAHP-LJQANCHMSA-N 435.572 4.399 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc1-c1ccccc1 775209131 SPXRYQZDZPMDAV-UHFFFAOYSA-N 446.510 4.094 10 20 IICD COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 775368627 CFHOAAXSUZKNIV-STQMWFEESA-N 442.497 4.110 10 20 IICD CC[C@@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cc(Br)ccc1O 775501906 TYYUDDGDPVZRMA-HXUWFJFHSA-N 446.389 4.064 10 20 IICD C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C[C@@H]1n1ccnc1 775737811 MPJAWTVMJGLCLC-ABAIWWIYSA-N 429.156 4.197 10 20 IICD COc1cc(Br)cc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1O 780903404 HXBLZJXOBDSRTH-UHFFFAOYSA-N 442.357 4.161 10 20 IICD O=[N+]([O-])c1ccc2ncnc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2c1 782144205 YGNJKLSYSLJSGU-UHFFFAOYSA-N 433.390 4.006 10 20 IICD COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)ccn1 786265561 UJPLXVKTMWQOJQ-UHFFFAOYSA-N 438.505 4.037 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790558674 IORRYGISDCUDMA-OALUTQOASA-N 438.547 4.097 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cnn1C(CC)CC 792498202 XQBKMJRUHJIJMH-UHFFFAOYSA-N 444.599 4.409 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc2cccnc12 798510110 KCLNNLZHPVYPMF-UHFFFAOYSA-N 437.411 4.195 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)cc1 806854061 SUEQLCBAJHGKSW-UHFFFAOYSA-N 439.890 4.085 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3Cl)n2)o1 808527488 IIJMFWYSVBTUSL-UHFFFAOYSA-N 446.337 4.147 10 20 IICD C[C@@H](c1ccc(N2CCCCC2=O)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 811847283 RBSDVJIMNXSNEK-HNNXBMFYSA-N 441.915 4.088 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(C)n1-c1cccc(Cl)c1 812276727 MJCLLDAFVJMBFF-HNNXBMFYSA-N 441.881 4.278 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1OC(F)(F)F 817993848 FGZMOWOKTZCRBY-UHFFFAOYSA-N 442.440 4.444 10 20 IICD COc1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914323874 AXLYENXXWCMPSF-AQTBWJFISA-N 446.619 4.397 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3csc(-c4ccsc4)n3)CC2)cc1 914431695 ZPRMIAQNJIDYPN-UHFFFAOYSA-N 445.635 4.462 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 916682449 OBTNXQNSXORSRO-UHFFFAOYSA-N 444.963 4.219 10 20 IICD COc1cccc(OC)c1Oc1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 916836186 DKKRMHYJRAHIAG-UHFFFAOYSA-N 435.524 4.018 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)CC1 917077032 STCSFWFHGBMPIU-UHFFFAOYSA-N 436.644 4.052 10 20 IICD Cc1ccc(CN2CCCN(C(=O)CSc3ncc(-c4ccccc4)n3C)CC2)cc1 917192516 PWPWECLUZSUWPK-UHFFFAOYSA-N 434.609 4.222 10 20 IICD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2F)C[C@@H](C)O1 917918308 NMOFNCZAIMRGKV-IAGOWNOFSA-N 428.529 4.071 10 20 IICD Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccccc1Br 918004427 FKOJNALJRVBXBM-UHFFFAOYSA-N 442.361 4.105 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(F)cc2I)C2CC2)cc1 918539508 JFDURTQYSYZVAU-UHFFFAOYSA-N 438.284 4.301 10 20 IICD C[C@@H](Oc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1)c1ccccc1 919214524 KYQNZNPYOBXGEP-LJQANCHMSA-N 447.535 4.103 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(-n2nccc2-c2ccccc2)c1 920291069 IYDOOURIXOJZHJ-UHFFFAOYSA-N 438.531 4.306 10 20 IICD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 920873113 MKQVIPVUSOBDOB-IBGZPJMESA-N 434.540 4.432 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 1323483528 PKHQJXDLRNBCCI-SFHVURJKSA-N 434.839 4.071 10 20 IICD CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821294807 RMIXPFRLHVTDDZ-OAHLLOKOSA-N 434.924 4.216 10 20 IICD COc1cc2c(cc1NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1)oc1ccccc12 11619379 GRWVVXWEQBTFLU-UHFFFAOYSA-N 431.492 4.412 10 20 IICD CC(C)Oc1ccccc1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 303045443 UCJWIPGWYHOLRF-UHFFFAOYSA-N 436.474 4.188 10 20 IICD CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 303289997 MHNNTRSJZYKWQG-UHFFFAOYSA-N 428.548 4.291 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 426708818 NIJFKFYRCAFHMW-UHFFFAOYSA-N 427.957 4.421 10 20 IICD Cc1c(CNC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)n(C)c2ccccc12 440885760 JMUHUXMNJGBHJI-UHFFFAOYSA-N 446.576 4.377 10 20 IICD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 580232992 GTYLBUWWFHSZBG-SFHVURJKSA-N 431.458 4.221 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 731280472 ZSJWYFZMGGUDDH-PMACEKPBSA-N 425.573 4.123 10 20 IICD C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(N5CCC(C(N)=O)CC5)c4)cc3c2C1 739766018 LRJINBPSPNCCNK-MRXNPFEDSA-N 430.552 4.247 10 20 IICD Cc1ccc(OC[C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 742759198 PGCLKUJLOYJOPR-GBESFXJTSA-N 429.536 4.014 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)cc(OC)c1OC 743283596 CQHIHCMGMWVOMT-BRLDDBHUSA-N 441.574 4.471 10 20 IICD Cc1csc([C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)n1 745864731 WIANVYXXQDEZJB-QAPCUYQASA-N 436.528 4.472 10 20 IICD Cc1cc(C(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)c(C)n1-c1ccccn1 747418583 WUERFPIMUVOLLU-KRWDZBQOSA-N 447.457 4.020 10 20 IICD CN(Cc1ccccc1O)C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 748027976 VHQKGJCRQXSROP-AWEZNQCLSA-N 437.281 4.068 10 20 IICD CC(C)Oc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1Cl 751404728 IDHVYOZJTOVWLV-HXUWFJFHSA-N 431.964 4.410 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 752889311 HCAXBORDCLNSOD-OALUTQOASA-N 427.511 4.063 10 20 IICD C[C@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 753763063 MGWIENYRINHSSQ-UUOWRZLLSA-N 435.584 4.350 10 20 IICD CSc1nnc(CCCN[C@@H](C)c2cc(Br)ccc2O)n1CC(C)C 756575387 PYXSODGHLWSDRW-ZDUSSCGKSA-N 427.412 4.408 10 20 IICD Cc1nc([C@H]2CCCN(C(=O)c3cc(C)n(-c4ccccc4Br)c3C)C2)n[nH]1 761067664 KMONVURCZIUJTL-INIZCTEOSA-N 442.361 4.303 10 20 IICD Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC[C@H]2CCCO2)c1 766574592 HLTCKABPCFYYEA-DENIHFKCSA-N 428.548 4.379 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc3c2OCCCO3)cc1 770426486 SFHJLQSYJGKTHM-UHFFFAOYSA-N 435.524 4.419 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3CSC3=NCCS3)c2)CC1 771635885 JBOXXUZFRHYMFD-UHFFFAOYSA-N 440.638 4.417 10 20 IICD Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 773008015 UOXYUCLESLXBTM-PZJWPPBQSA-N 447.583 4.009 10 20 IICD C[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(N2CCOCC2)cc1 775258592 GCHCOKRZTLYXOV-MOPGFXCFSA-N 425.598 4.091 10 20 IICD C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(N(C)C)cc1 775464650 JPJAABZRTFLNDG-HNNXBMFYSA-N 425.558 4.082 10 20 IICD C[C@@H](NCc1nc2ccc(Br)cc2n1C)c1ccc(N2CCOCC2)cc1 776800102 VFDGCLDJRHSKNA-OAHLLOKOSA-N 429.362 4.023 10 20 IICD COC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1 777825953 BVGMPOFGAPYSSN-INIZCTEOSA-N 434.448 4.491 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(-c2csc(C)n2)c1 777826867 UFTQXONCUAPZFF-UHFFFAOYSA-N 430.913 4.293 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 778916493 JBAKXHVBMSAZPD-UHFFFAOYSA-N 441.281 4.043 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](OC)c3ccccc3Cl)CC2)cc1 779341309 OOLVZFGKZSFSFC-KSFYIVLOSA-N 431.964 4.393 10 20 IICD C[C@@H](NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(N2CCOCC2)cc1 779875181 TWCADZYUMJATPB-CQSZACIVSA-N 429.492 4.416 10 20 IICD OCC1CCN(c2ccc(CN[C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@H]43)cc2)CC1 781421340 PVSFKQNFEUYPTP-KJYTXNCISA-N 433.640 4.286 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(OC(F)F)c2)cc1 782425190 QZAOHKQNXDPVFY-UHFFFAOYSA-N 443.450 4.115 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(N)cc1 783486601 PMUIUIUCGZSJQK-QGZVFWFLSA-N 431.492 4.163 10 20 IICD COc1ccc(O)c(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 787130849 AEZZNLBQIQTUEB-UHFFFAOYSA-N 436.295 4.397 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NOC[C@H]1CCOC1 788121419 GMUWECNDAOERNG-HNAYVOBHSA-N 437.462 4.449 10 20 IICD COC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 796304747 LSBYUPCOSQEKPS-FQEVSTJZSA-N 434.418 4.468 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccnn3-c3ccccc3OC)SC2=S)cc1F 797397512 DMNNBNBIEWHQDU-XDHOZWIPSA-N 441.509 4.434 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 799833173 WBVZCDYBJFRAFG-UHFFFAOYSA-N 443.547 4.429 10 20 IICD Cn1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)s2)cn1 800791317 LNBNRNVKVZWVKO-LZYBPNLTSA-N 427.532 4.253 10 20 IICD CCCCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 803297326 RCJFODQHVFIEJD-HYBUGGRVSA-N 437.584 4.138 10 20 IICD CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](C)c1cc2ccccc2o1 803300697 KFZPXZNXZRDBGL-RBUKOAKNSA-N 449.551 4.056 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 804976502 YULJAUJCKWXYFG-HSZRJFAPSA-N 443.975 4.144 10 20 IICD C[C@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc(N2CCOCC2)cc1 806646652 GDMDLCOTNSFOGJ-KRWDZBQOSA-N 443.519 4.103 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 807511393 MCRUCLPRRCOGEG-UHFFFAOYSA-N 447.322 4.030 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccccc1C(F)(F)F 808266665 RAUMXTZMGLMXMB-CVEARBPZSA-N 435.490 4.038 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC12CCC2 813584787 CAOIVUPJFANJDM-HXUWFJFHSA-N 442.604 4.408 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC[C@@H](O)CC2)sc(C)c1-c1ccccc1 815298766 AIWOWISVQSWONO-GOSISDBHSA-N 430.570 4.076 10 20 IICD CC(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCO1 819417000 NECOTWUOUMBQEI-WISAJEAXSA-N 438.640 4.003 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)Cc2ccco2)c(C)n1-c1ccc(Br)cc1 914544740 DDPCMXCIOLUEIZ-MRXNPFEDSA-N 431.330 4.031 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CC1(Cl)Cl 914610059 JMKFFZWZPCTPPU-BZPKPHBRSA-N 435.423 4.040 10 20 IICD COc1nn(C)c2nc(C)c(CCC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c(C)c12 914754380 NLLOAUGATVMHAL-UHFFFAOYSA-N 449.599 4.175 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2cccnc12 917845096 PDUWPDSZLQQYMU-UHFFFAOYSA-N 442.478 4.076 10 20 IICD COc1cc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)ccc1OCc1ccncc1 917997600 HSJNUNBUTVTJOR-GOSISDBHSA-N 434.540 4.296 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1C(=O)N1CCOCC1 919859995 VCYRBAWSTWYSAM-UHFFFAOYSA-N 435.499 4.266 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1cccc(F)c1 920090105 ZTTCGOCHNIPEKZ-KDURUIRLSA-N 445.554 4.105 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2cc(C)ccc2c1Cl 1116646921 RNQVBQHAPJOQFT-AWEZNQCLSA-N 433.913 4.179 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ccc(OC)cc2OC)cc1 1318506185 BLXRFIMIEGLHKN-RUZDIDTESA-N 449.551 4.367 10 20 IICD CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 1356023430 RUSILSDDYRBAFT-UHFFFAOYSA-N 432.971 4.323 10 20 IICD COCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 1528204872 BMQIIYAGYVDMHD-UHFFFAOYSA-N 426.538 4.075 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC(F)(F)C3)C2)cc1 1841015588 QWVYNAIMZVKYTD-HXUWFJFHSA-N 441.522 4.347 10 20 IICD COc1cscc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1843564517 TVXZVJIAPKXSNH-UHFFFAOYSA-N 449.576 4.295 10 20 IICD Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)cn1 11481101 PTYPFRFMUWGLNS-UHFFFAOYSA-N 433.386 4.131 10 20 IICD Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 29022778 OHEMEYZLGBLBFH-MRXNPFEDSA-N 428.529 4.470 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCOc2ccc(F)cc2F)cc1 110146994 LSSBTYZXPKCSOU-NRFANRHFSA-N 432.511 4.398 10 20 IICD Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 303749735 LHEXJKIIMKWNQM-UHFFFAOYSA-N 428.536 4.359 10 20 IICD Cc1c(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)n(C)c2ccccc12 471229986 JFNLJTLMZZKVBD-UHFFFAOYSA-N 436.512 4.194 10 20 IICD Cc1c(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)n(C)c2ccccc12 510774696 XJTIIUVGYITVIH-OFVILXPXSA-N 428.536 4.126 10 20 IICD O=C(NCCOc1ccc(Cl)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726609405 XIIOHCSNKYCDMW-UHFFFAOYSA-N 439.890 4.288 10 20 IICD CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1 726802207 WQOPTMFWOOQFFZ-ZHZULCJRSA-N 427.547 4.300 10 20 IICD CSCc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 727343409 CZPAYNGKOHRKMX-UHFFFAOYSA-N 432.457 4.486 10 20 IICD CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(NC(=O)/C=C/c2cncc(F)c2)c1 729653395 RGSCPSHSVOYSNC-CDJQDVQCSA-N 434.446 4.473 10 20 IICD CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)c1 731363717 LYCNFICMQSQGST-KRWDZBQOSA-N 428.552 4.200 10 20 IICD Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CCC2 732452009 XRHLSJUPUCHRKA-LRAJWGHMSA-N 446.592 4.423 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1N1C(=O)CCC1=O 733034588 LUYYEUDJDIWPBV-UHFFFAOYSA-N 434.540 4.206 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(CC4CCOCC4)CC3)c2C)c1 736319101 UPGMVPBRCDKSRO-UHFFFAOYSA-N 441.641 4.043 10 20 IICD O=C(NCC(=O)N1CCCc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737259347 ITVMYCRSIXSBFT-UHFFFAOYSA-N 441.491 4.136 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1occc1CS(=O)(=O)c1ccccc1 742476188 MMTDWPYWFIJUNV-UHFFFAOYSA-N 438.549 4.174 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 742497372 GVMHTYFXYVNHRG-UHFFFAOYSA-N 426.948 4.132 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2c(F)cccc2Cl)NC(=O)OC(C)(C)C)cc1 742755049 UYVBKYIOBVJUTN-FQEVSTJZSA-N 449.954 4.470 10 20 IICD COc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1C 742755121 WADMVWUCVGOFAL-HXUWFJFHSA-N 427.545 4.065 10 20 IICD CCOc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1Cl 742798107 JKLDNVWDFBWDFM-CQSZACIVSA-N 425.863 4.134 10 20 IICD CCN(CC)CCOc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1OC 743132289 FKGUMOXSDQAGKM-UHFFFAOYSA-N 441.572 4.322 10 20 IICD O=C(Cc1cc(-c2ccccc2)on1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 744372749 LDYYAWKHXVKOCR-KRWDZBQOSA-N 427.451 4.271 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)CC2)cc1 745798888 CNECFGHZZXFKLY-IBGZPJMESA-N 442.991 4.286 10 20 IICD CN(C[C@@H]1OCCc2ccccc21)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905846 RQXCVSKYFNYDHP-AVRDEDQJSA-N 445.510 4.212 10 20 IICD COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 746760694 ZJBTXJXTMQXNNG-DEOSSOPVSA-N 439.600 4.491 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 747808438 FYXAVRGWFSLOLN-UHFFFAOYSA-N 425.529 4.395 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)ccc1F 747857430 NBTMJOREJRSITI-UHFFFAOYSA-N 448.453 4.390 10 20 IICD Cc1cc(C(=O)Nc2ccc(F)cc2I)c(C)n1-c1ccccn1 750072846 TZCFCJIOLNPFCX-UHFFFAOYSA-N 435.240 4.485 10 20 IICD COC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)CC1 752844034 ISNFYPFPVVFLOC-FQEVSTJZSA-N 435.572 4.004 10 20 IICD O=C(/C=C\SCc1ccco1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 754225721 UCSDMOKFXYUKBV-WZUFQYTHSA-N 426.460 4.198 10 20 IICD Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Br)n1 755936632 MEXHOQKWCDLSCH-ZDUSSCGKSA-N 440.288 4.153 10 20 IICD CCC(CC)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)c(OC)c1 758968851 GZIMAPSURCTYEH-UHFFFAOYSA-N 444.547 4.054 10 20 IICD COc1cc(N2CCN(C(=O)c3ccccc3SC(C)C)CC2)cc(OC)c1OC 759243468 YLNSZLOYJQTDTB-UHFFFAOYSA-N 430.570 4.175 10 20 IICD COc1cc(Cl)cc(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c1O 761194686 CVUBREHVCYUXNI-CYBMUJFWSA-N 434.949 4.045 10 20 IICD COCCSc1ccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761231978 NUGOCDINIHVYBA-CQSZACIVSA-N 434.945 4.310 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3ccnc3[C@H](O)c3ccccc3)c2C)cc1 763176850 ZKJNONSNIVJYAN-XMMPIXPASA-N 443.503 4.042 10 20 IICD C[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCCCCC2)cc1 765935823 OSYXITDJQYISBU-KRWDZBQOSA-N 447.567 4.279 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4ncccc4F)n3)cc2F)C[C@@H](C)O1 768340721 CIFYYRPZHBREQU-OKILXGFUSA-N 444.507 4.027 10 20 IICD O=C(Nc1cccc2ncccc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769616125 FUDXQYOILWUECH-UHFFFAOYSA-N 425.491 4.055 10 20 IICD C[C@H](N[C@H](C)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1 769957974 BPWNSRKCMRASOH-UXHICEINSA-N 435.568 4.029 10 20 IICD C[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 773024608 MNIXRVSHALNXIQ-QWXGXRTQSA-N 437.403 4.280 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 776214488 WJFVLSLDTFEELW-HTAPYJJXSA-N 431.964 4.094 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ncc(C4CCCCC4)s3)cc2)C1 782636941 FFBBUMQSCXVGBD-GOSISDBHSA-N 441.601 4.214 10 20 IICD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896428 NQVSKEBVZPJGGC-UHFFFAOYSA-N 431.876 4.254 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C2CCCCC2)cc1 784058188 OMLQFCVKFLJNIF-UHFFFAOYSA-N 443.551 4.248 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1C 785191824 HZQAEAAZGBAGJN-UHFFFAOYSA-N 425.710 4.104 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(-c4ccccc4)o3)cc2)CC1 788483634 SUHKCNAHWGZOMA-UHFFFAOYSA-N 431.536 4.116 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 792039263 IPVMWVYNWFRTLS-JTHBVZDNSA-N 425.548 4.170 10 20 IICD COC(=O)c1ccc(Cl)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 794933096 GEITXFUVZZBZJW-OQLLNIDSSA-N 433.894 4.231 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 799204322 USXDDPNQALMUAW-SFQUDFHCSA-N 427.503 4.056 10 20 IICD CC(C)OCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 810489475 IOPFTGZCDGWDSF-OAHLLOKOSA-N 436.472 4.226 10 20 IICD OC[C@]1(CNCc2cc(Br)cc(Br)c2O)C[C@@H]1c1ccccc1 811512262 JMJKDBONTRFGQC-CRAIPNDOSA-N 441.163 4.173 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1 811517064 HIDHPFKBPCXRDZ-NRFANRHFSA-N 447.595 4.131 10 20 IICD CCOCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccc1O 812193503 LGOXSQYRCAQMRO-UHFFFAOYSA-N 433.512 4.369 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCO1 812434640 VKCUJGSMLWYWBB-HXUWFJFHSA-N 429.524 4.404 10 20 IICD COCCOCc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 813182445 BXAKJKUZTUUFDZ-UHFFFAOYSA-N 425.573 4.182 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 915335019 IFRXKRIIUWATKV-UHFFFAOYSA-N 437.569 4.034 10 20 IICD CC(C)Oc1cccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 916491108 GOHQWCWQGXZAQE-UHFFFAOYSA-N 444.443 4.087 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 916502343 HMNBMPTVOXPCPT-UHFFFAOYSA-N 446.576 4.288 10 20 IICD Cc1cc(CSc2ncccc2C(=O)NCc2ccc(N3CCSCC3)cc2)no1 917386575 CGNKNAICNDIWOV-UHFFFAOYSA-N 440.594 4.154 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@@H]1c1cccnc1 917966436 KZDPJSUAOAAEEQ-CLEQQJOVSA-N 443.619 4.488 10 20 IICD COc1cc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1OC 918065820 CBJWEDXFGAWNEV-MRXNPFEDSA-N 427.545 4.214 10 20 IICD COc1ccc2ccccc2c1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918203751 INJMQAZVEOQNJN-UHFFFAOYSA-N 433.552 4.057 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1 918310127 LCWCZWFLQMSLHG-UHFFFAOYSA-N 434.584 4.264 10 20 IICD CCN(CC(=O)OC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 920011882 BONKQYHXXXVVPQ-MNDPQUGUSA-N 443.547 4.423 10 20 IICD Cc1ccc(C)c(OC2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 920866328 AFWOTAACOPVDCY-NRFANRHFSA-N 437.584 4.454 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3CSC3=NCCS3)CC2)cc1 1341406478 HQCFEZVLGMCYIV-UHFFFAOYSA-N 441.622 4.384 10 20 IICD C/C(=C\c1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800713292 KKJCHUYMKXWKJE-NOFFMGQBSA-N 446.956 4.168 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 1827469506 HJNLFGZCGZIZFD-SFHVURJKSA-N 434.565 4.186 10 20 IICD Cc1ccoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1827741662 MDVNATOLHVMREK-SFHVURJKSA-N 446.931 4.200 10 20 IICD Cc1cc(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)c(C)n1-c1ccc(F)cc1 115205552 OBPLNTDWQAAZRI-HNNXBMFYSA-N 447.557 4.120 10 20 IICD O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 447807298 PXNGVFMFJHEIJC-UHFFFAOYSA-N 436.487 4.341 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 729035859 OUZRYHKTTQFPTO-INIZCTEOSA-N 435.480 4.301 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(OC)cc3)cc2F)CC1 730134841 NANCRPVMZLGWCI-QHCPKHFHSA-N 440.563 4.023 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1F 731347165 ODCILIXQFZBCTQ-UHFFFAOYSA-N 427.520 4.032 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1F 731409062 KBFFDYMYNITKNN-UHFFFAOYSA-N 427.520 4.248 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c(C)n1-c1ccccn1 733987234 PCBUWMBLWHGQSF-KRWDZBQOSA-N 444.457 4.396 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 734558854 ZFVDZAQFNJQQCL-SANMLTNESA-N 437.403 4.028 10 20 IICD COCCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccc(OC)c(OC)c1 746474672 LOLXSINLGHVGLO-UHFFFAOYSA-N 441.553 4.227 10 20 IICD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 748627455 YBJLSYCMQUTOGP-CYFREDJKSA-N 443.563 4.125 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(OCC2CCCCC2)cc1 749730391 OCZQANZCVBETIG-UHFFFAOYSA-N 433.599 4.339 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 756455624 UHDRNGYEMAPDST-HUUCEWRRSA-N 433.346 4.118 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCc1ccc(N2CCSCC2)cc1 758489864 CBJWSOAWWULLPA-FQEVSTJZSA-N 433.618 4.036 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2ccc(Br)cc2)C1 759600263 CIYJNABXGJIZDJ-OAHLLOKOSA-N 442.404 4.171 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(NC(=O)COC)cc4)no3)ccc21 761552059 KHRDBTYXMPFKQH-UHFFFAOYSA-N 434.496 4.206 10 20 IICD C[C@H](N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1 764775297 JQWAZOWQDNGZLB-KSFYIVLOSA-N 428.939 4.489 10 20 IICD COc1ccc(-c2nnc(NC(=O)NCc3cccc(Br)c3O)s2)cc1 765348506 QHZDUAYRJWKVLB-UHFFFAOYSA-N 435.303 4.004 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 765683638 JWJAGRIYGRDJQV-DLBZAZTESA-N 431.374 4.342 10 20 IICD O=C(CSCc1coc(-c2ccccc2)n1)NCc1cccc(Br)c1O 765736550 NZTCZHOZDKAGNF-UHFFFAOYSA-N 433.327 4.359 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2O)c(O)c1 765768333 ISXAMPHENVIDTD-UHFFFAOYSA-N 437.290 4.137 10 20 IICD CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 768344615 KEHVVRWNBVBYPH-UHFFFAOYSA-N 432.565 4.322 10 20 IICD C[C@H](NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(N(C)C)cc1 773618082 HKJPOCQGWBZDKS-DFBJGRDBSA-N 433.552 4.425 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@H](C)c3ccc(N(C)C)cc3)[C@@H](c3ccco3)C2)cc1 775832337 ZEVUVKZNRGASEM-HOYKHHGWSA-N 446.551 4.383 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)c[nH]1 777694316 JCANRFCIJHTOBX-UHFFFAOYSA-N 427.507 4.187 10 20 IICD Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)c(C)n1-c1ccccn1 779843886 MQCSBCBVBJEHMR-HXUWFJFHSA-N 445.527 4.030 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 781403664 ZWJCZSLCUHZBEU-CVEARBPZSA-N 438.410 4.339 10 20 IICD COc1c(F)cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1F 783483408 WCDOBGWWQNYXOW-AWEZNQCLSA-N 425.435 4.289 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N)cc1 783487016 SILZPGYQNRJGND-KRWDZBQOSA-N 442.519 4.277 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSCCSC(C)(C)C)cc2F)C[C@H](C)O1 783537093 CEWGHIZBWVTNAB-HOTGVXAUSA-N 428.639 4.320 10 20 IICD Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n(-c2ccccc2F)n1 784109947 ZTGDRKAQTKOTBU-UHFFFAOYSA-N 435.503 4.064 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3cccc(OC4CCCC4)c3)cc2)CC1 786258775 HCMOHQMVKZXJLU-KAMYIIQDSA-N 447.579 4.006 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccc(C(F)(F)F)cc3)cc2)CC1 786263722 ZPQBXSHPTGNHPF-QGZVFWFLSA-N 447.501 4.184 10 20 IICD C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788932531 OKGMPHHGSUGCCD-ROUUACIJSA-N 427.976 4.207 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nc(-c2ccc(Br)cc2)no1 792181162 PJEHCXITJRUNKN-OAHLLOKOSA-N 443.345 4.187 10 20 IICD COc1ccc2c(c1NC(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CCC2 792650015 DWEHYYRHHGGOTN-UHFFFAOYSA-N 442.427 4.120 10 20 IICD Oc1c(Cl)cc(Cl)cc1CN1CCC(O)(c2scnc2Br)CC1 797603880 DNYQLXGGGACPHE-UHFFFAOYSA-N 438.174 4.402 10 20 IICD CC(C)c1nnc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn12 801744451 VOZHKLAWVSENJE-HNNXBMFYSA-N 444.486 4.245 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 807192825 RFDMFHHQJPWVLQ-QPPBQGQZSA-N 438.568 4.113 10 20 IICD COc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1Cl 808113731 HUOHHLKFAPKUMX-UHFFFAOYSA-N 445.093 4.410 10 20 IICD O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 808423056 PXRTXGGUFDHWNO-QGZVFWFLSA-N 442.482 4.008 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 813685184 UKYHLGLRGWRHGX-GFCCVEGCSA-N 440.302 4.398 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc(C(=O)OC)c3)sc2C)cc1 818783990 RDASUJYUNLGMTB-UHFFFAOYSA-N 432.523 4.105 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCNC(=O)C(C)(C)C)c2C)c1 826584933 LEHOABVBVWXUFH-UHFFFAOYSA-N 430.570 4.094 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)Nc3cccc(OC(F)(F)F)c3)cc2F)C[C@H](C)O1 849083653 CHJSXJDWGSLRPA-KBPBESRZSA-N 440.441 4.474 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 916382017 GREBEDQDGBFVCF-DEOSSOPVSA-N 437.584 4.056 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 916626083 STIYFIDEVVLIOW-SFHVURJKSA-N 440.613 4.224 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccc1OC(F)F 916634031 VJMRWYGEWULCCA-UHFFFAOYSA-N 445.388 4.465 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1-c1ccc(Cl)cc1 917386589 FGGYKXQZAJWJAP-UHFFFAOYSA-N 426.973 4.317 10 20 IICD CC(C)Oc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918203586 CDLNMEKFPVEEGP-QZTJIDSGSA-N 429.536 4.226 10 20 IICD CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918211470 BVNPZWRKHYCGNG-KRWDZBQOSA-N 429.536 4.134 10 20 IICD O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccc(N2CCSCC2)cc1 918618128 ZDZVUYNPHYWDPL-UHFFFAOYSA-N 427.570 4.361 10 20 IICD C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920880676 GXKMMEMQBHYMSZ-NRFANRHFSA-N 446.547 4.358 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1)c1ccc(N2CCOCC2)cc1 920923190 OHCIKJKHPVAWHL-QGZVFWFLSA-N 443.503 4.239 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4cccs4)s3)cc2)C1 1337594111 DKUUSJLXJCIWKP-INIZCTEOSA-N 425.579 4.108 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3CC3)[C@H]2c2cccnc2)cc1 1811272653 LIPMHUMRDVHZMB-ZCYQVOJMSA-N 442.563 4.219 10 20 IICD O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(O)c(O)c1 9413629 GSVONAMYZMFWJV-UHFFFAOYSA-N 431.901 4.232 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1 24713624 CYSWRLQGHABQIU-UHFFFAOYSA-N 430.508 4.153 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4ccccc4Cl)n(C)c3=S)CC2)cc1 108219044 SORANECLLMFIJQ-UHFFFAOYSA-N 444.004 4.450 10 20 IICD CCOC(=O)c1sc2nc(C)nc(N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 301123470 OSIVKOOYHCZAGP-OAHLLOKOSA-N 440.569 4.495 10 20 IICD C[C@H](NC(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccc(N2CCOCC2)cc1 726245576 KPNIJIKIYWPISF-IBGZPJMESA-N 432.524 4.271 10 20 IICD O=C(NCCc1cc(F)cc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726614512 VCZOCKZYQCXRIQ-UHFFFAOYSA-N 425.426 4.077 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 726847645 OPAOSVYFBNHPCP-UHFFFAOYSA-N 444.532 4.035 10 20 IICD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)cc2)C1 727466702 DAHNFECLPZGKHA-NHCUHLMSSA-N 425.592 4.430 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC 730588830 IDYLRFURGBOEDS-KRWDZBQOSA-N 435.611 4.495 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCc3c[nH]c4ccccc34)cc2F)C[C@H](C)O1 730823954 RAEGXKCPXQWFPC-ROUUACIJSA-N 438.547 4.353 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OC(F)F)cc1 731058734 PASKKJPEWDQDMA-UHFFFAOYSA-N 441.437 4.429 10 20 IICD Cc1cc(CC(=O)NCC2(N3CCCCC3)CCOCC2)c(C)n1-c1ccc(Cl)cc1 732159688 MWVMATUQJIIDCJ-UHFFFAOYSA-N 444.019 4.441 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(Oc2ccccc2)c1 737132320 ZBXWPGHFYOPSMY-UHFFFAOYSA-N 447.560 4.287 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](c2ccccc2Br)C1 740919634 FEHXDGMZMKILRD-NRFANRHFSA-N 442.357 4.108 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)Oc1ccc(Br)cc1 743552901 VDLTUTYOLAUMTK-INIZCTEOSA-N 432.362 4.316 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nc(-c2cccs2)no1 743809550 WOQKKYBUHRCDEM-UHFFFAOYSA-N 436.331 4.248 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 746470068 RVCUMZUWZDCVPI-UHFFFAOYSA-N 434.430 4.193 10 20 IICD C[C@@H](NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(N2CCOCC2)cc1 746731093 ZNAZSTHKRJUDRY-QGZVFWFLSA-N 439.947 4.304 10 20 IICD CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746949871 AJOITDYMADWETA-GPXOXTDOSA-N 448.611 4.256 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccc(Cl)c21 746950856 IAZWMQPRZBETEX-QGZVFWFLSA-N 440.975 4.049 10 20 IICD CSc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 747575167 PPPPMDQNTJVJGP-HNNXBMFYSA-N 432.977 4.085 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)n2)c(F)cc1F 749009262 CWMFCQHOAKNMSZ-UHFFFAOYSA-N 449.504 4.472 10 20 IICD Cc1cc(O)ccc1NS(=O)(=O)c1scc(Br)c1Br 751214260 KXLQSYJOUIMPEQ-UHFFFAOYSA-N 427.139 4.088 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)n1-c1ccccn1 751405933 OWRJMLKZJCFMQM-QHCPKHFHSA-N 432.568 4.377 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1cccc(Br)c1 753663334 HSJZZWYETPKZGL-ICSRJNTNSA-N 445.357 4.067 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccc3c(c2)C(=O)NCC3)cc1 754579236 PCBCKZUSIOICLT-UHFFFAOYSA-N 427.508 4.384 10 20 IICD O=C1/C(=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)SC(=S)N1c1cccnc1 755571421 AYSLKNTYAAFGBY-CHHVJCJISA-N 434.333 4.375 10 20 IICD C[C@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)cc(Cl)c1O 756359795 CANURCOLVIQQOI-AWEZNQCLSA-N 439.781 4.491 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccn3)c3ccccc3OC)CC2)cc1 760832092 PIQNFCRPNIQKMD-RUZDIDTESA-N 446.551 4.156 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Oc2cccc(F)c2)nc1 761206859 PCWTZRQLUGISCF-UHFFFAOYSA-N 441.846 4.336 10 20 IICD Cc1ccnc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)c1 761597950 OMUQMEAPXOTMLV-PTNGSMBKSA-N 428.564 4.336 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H]3CCCc4c(Cl)sc(Cl)c43)cc2)CC1 765978803 PCNJVQKDIKPBAK-INIZCTEOSA-N 445.437 4.457 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)c2C)cc1 768069964 VQQZYMRGKZUWKF-UHFFFAOYSA-N 447.535 4.136 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCOc1ccc(Cl)cc1Br 773739888 GGJVHWKAXOCGOF-NSHDSACASA-N 428.710 4.030 10 20 IICD C[C@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(N(C)C)cc1 773989724 QDGXSNZULVMDIB-ZDUSSCGKSA-N 442.610 4.062 10 20 IICD CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc([N+](=O)[O-])c(OC)c1O 774821955 JJWWBYUXGDYNBZ-UHFFFAOYSA-N 442.299 4.467 10 20 IICD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 776751896 XARJAMQAXVBBDI-UHFFFAOYSA-N 427.103 4.271 10 20 IICD Cc1cc(C)cc(-n2nc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2C)c1 777714460 ULZJLSQCPKVZAH-UHFFFAOYSA-N 447.583 4.328 10 20 IICD C[S@](=O)C[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 780895425 SJEMTVXAONMETA-QRQCRPRQSA-N 447.192 4.127 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2c1OCO2 782486110 HBZAVKUKNUCGPI-GDNBJRDFSA-N 432.548 4.097 10 20 IICD CC(C)(C)OC(=O)c1ccccc1C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 783980108 QMOAKTBZSHOUFP-QFIPXVFZSA-N 425.525 4.153 10 20 IICD COc1ccc(CNC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1OC 784490247 DJDJEZMXLFGJAP-UHFFFAOYSA-N 449.463 4.298 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 785543211 KESQPJDRPIHPBH-UHFFFAOYSA-N 428.944 4.421 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)cc2)CC1 786254425 DCGQFTAIKYWZQQ-SFTDATJTSA-N 446.378 4.082 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)cc1 792039976 MNDCLBZGAJLMBS-GOSISDBHSA-N 430.574 4.131 10 20 IICD COc1ccc(C[C@@H](NC(=O)NCc2ccc(OC)cc2O)c2ccc(OC)cc2)cc1 792787661 GPJVBEJBLWKKLR-HSZRJFAPSA-N 436.508 4.201 10 20 IICD COc1cccc(C(=O)CCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 794356424 FEEPXJADIOTQJU-SFHVURJKSA-N 446.494 4.435 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(Cc4cccs4)nn3)cc2Cl)C1 800047553 MEEIQCRAOOAHFU-OAHLLOKOSA-N 429.977 4.208 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc1 800229795 XUSUEEJITJWYAB-IBGZPJMESA-N 428.558 4.207 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)cc2)C1 802012095 IEVZDTJXZXCHIN-HFOXQMJASA-N 446.595 4.009 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 807323077 OAHYJUDMHPGDLE-RDTXWAMCSA-N 434.418 4.060 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@H](C)C1 812189670 GFKCSOLFWXIMGE-HXUWFJFHSA-N 437.588 4.394 10 20 IICD CNC(=O)c1cc(Oc2cccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)c2)ccn1 813790932 KCCJCFIMCSZCCO-UHFFFAOYSA-N 428.832 4.113 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)cc(F)c3F)cc2Cl)C1 815636623 XZOJJLWGVOYXKE-GFCCVEGCSA-N 439.865 4.249 10 20 IICD COC(=O)c1c(NC(=O)[C@@H](C)NC(C)=O)sc(C)c1-c1ccc(Cl)cc1Cl 914526479 BSYZABYPWKAMFB-MRVPVSSYSA-N 429.325 4.280 10 20 IICD Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccccn1 914904587 AAZSYNRYUJMJFT-OAHLLOKOSA-N 433.424 4.365 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916626102 UZWZJHKVFZYFOJ-UHFFFAOYSA-N 426.630 4.428 10 20 IICD CC(=O)Nc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1C 916680376 IZGLLKFGQQPICG-HOTGVXAUSA-N 428.508 4.028 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(OC(C)C)cc3C)CC2)cc1 916712254 DQTFCGKBOZPSLG-UHFFFAOYSA-N 440.588 4.125 10 20 IICD Cc1cc(C)c(NC(=S)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1 917595632 FKIUAMALAOBRTB-QGZVFWFLSA-N 431.005 4.145 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C2CC2)cc1 918457468 UOIWIGUETIJJBI-UHFFFAOYSA-N 448.498 4.209 10 20 IICD COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)cn1 1317772081 MYVIFQWRSVOWDR-UHFFFAOYSA-N 438.505 4.037 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(F)cc3OC(F)F)CC2)cc1 1320441718 RRNZCGRTTYHUBK-HNNXBMFYSA-N 437.462 4.419 10 20 IICD C[C@H](c1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C 23852590 PMCFEYPTQAAMFV-QGZVFWFLSA-N 442.608 4.320 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2F)C[C@@H](C)O1 72002844 WUEGZIXXAHNGOY-IAGOWNOFSA-N 429.511 4.453 10 20 IICD CCN(CC)c1ccc(CNC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 236958864 QEKHJNWFSRZIKJ-UHFFFAOYSA-N 429.630 4.085 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(c1ccccc1)c1ccccc1 302889653 CKNPXKHDSISBBV-UHFFFAOYSA-N 429.564 4.497 10 20 IICD COc1ccc(N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)Cc2cccs2)cc1 303198073 YNTHFLIOLZADAI-UHFFFAOYSA-N 443.532 4.459 10 20 IICD O=C(Nc1ccc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)cc1)C1=S=CC=C1 680663404 DFZPLZZQNQJTFG-UHFFFAOYSA-N 427.432 4.145 10 20 IICD O=C(NC1CC1)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 727838873 VZUKZLQZOHQESA-OAQYLSRUSA-N 433.474 4.005 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 729593112 HMDPPCSSBFQFNH-FQEVSTJZSA-N 441.881 4.190 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1 732477657 JNLLJQDUHRBEIR-ZDUSSCGKSA-N 449.438 4.164 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(F)cc1F 732525014 AWINDOZXEZCHRJ-UHFFFAOYSA-N 438.477 4.293 10 20 IICD CCS[C@H]1CCCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 732592213 XYPBDMODIAIBAI-SFHVURJKSA-N 445.551 4.359 10 20 IICD Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccs2)c(C)n1-c1ccccn1 733434872 FDMIFDGWSWVDCD-QFIPXVFZSA-N 446.532 4.008 10 20 IICD O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735518251 IBGLDRCKQMDBFH-IBGZPJMESA-N 445.441 4.418 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 741070792 IJYNFAFNMWNTPC-UHFFFAOYSA-N 430.574 4.150 10 20 IICD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2)c1 742468903 SGKKEBQTUNWPQQ-QHCPKHFHSA-N 433.596 4.462 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc2cc(F)ccc12 742800038 OXNIMPABRPIJGT-CQSZACIVSA-N 431.414 4.080 10 20 IICD O=C(NC1CC1)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 743486073 XOYOLFNKAQVPEO-NQIIRXRSSA-N 433.474 4.005 10 20 IICD COc1cccc(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1O 745406003 BATCHJSQGLNFQA-UHFFFAOYSA-N 442.519 4.312 10 20 IICD CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 746216583 SIBVESSLFCDRQM-UHFFFAOYSA-N 426.319 4.311 10 20 IICD COCCN(Cc1nnc(-c2ccccc2Br)o1)c1ccc(OC)c(OC)c1 746475738 XKYQBALXAGIBIM-UHFFFAOYSA-N 448.317 4.169 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1 746823410 LUYKFPSKPSJLRR-IBGZPJMESA-N 429.508 4.096 10 20 IICD CC(C)OCCN1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 747584572 MLAPWQBGVKJPIQ-UHFFFAOYSA-N 430.637 4.144 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)c2C)c1 749343061 WEBNCPVXQDIHNF-UHFFFAOYSA-N 435.490 4.242 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 752087600 FVMLNDUJXHGOKL-UHFFFAOYSA-N 434.521 4.195 10 20 IICD O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 752151128 GGSDCXZLFJFGBN-MRXNPFEDSA-N 447.507 4.264 10 20 IICD Cc1cc(C(=O)CN(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1cccc(F)c1 754649754 MFUZAHJQRKLYPI-UHFFFAOYSA-N 448.586 4.450 10 20 IICD COc1cc(CN2CCC(C(=O)NCCc3cccs3)CC2)c(O)c(C(C)(C)C)c1 754719584 FLEYWWCNTCARFN-UHFFFAOYSA-N 430.614 4.331 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2cc(Br)c(F)cc2O)cc1 756356987 ATAYWMIPGKMOTC-FOIQADDNSA-N 437.353 4.326 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Br)c2O)cc1 757764703 YWBSIEGEPYCBPL-KRWDZBQOSA-N 433.346 4.042 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(=O)c2ccccc2)c1 761412023 YCOPQEKKLYYKBA-HXUWFJFHSA-N 428.532 4.174 10 20 IICD COc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(Cl)n1 761696182 DRXCNZYHDKZKEP-UHFFFAOYSA-N 426.851 4.136 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)cs1 768847040 BRDLSSMEVTVGML-UHFFFAOYSA-N 446.329 4.343 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1(c2ccccc2)CCCC1 773616678 AAIVCIRYVVHJQI-RBBKRZOGSA-N 448.611 4.088 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCCN(c2nccs2)CC1 775661574 MSPCUJYXXOCHSL-UHFFFAOYSA-N 447.196 4.086 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 777423564 CBONZENGUGVPOO-FQEVSTJZSA-N 425.916 4.361 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cnn(CC(F)F)c1 777668570 YEHWGEKAECBJEB-UHFFFAOYSA-N 445.325 4.441 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(N2CCNC2=O)ccc1F 777822817 MOIOMQKHFKGZFW-QGZVFWFLSA-N 433.483 4.465 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3OC(C)C)cc2)CC1 779158545 NYLWNDUUDDUPSA-UHFFFAOYSA-N 427.520 4.104 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Br)ccc1F 783326187 FZFXOLNNOCEDFJ-UHFFFAOYSA-N 436.325 4.030 10 20 IICD COc1c(F)cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1F 783483409 WCDOBGWWQNYXOW-CQSZACIVSA-N 425.435 4.289 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 784026070 PXSRTIFIGVUGPK-UHFFFAOYSA-N 432.520 4.486 10 20 IICD O=C1C[C@H](Cc2ccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)C(=O)N1 796334177 NQKYSSGCALDDGQ-QHCPKHFHSA-N 425.532 4.067 10 20 IICD COCCOc1c(Cl)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl 797639992 JQMJTWJGIYDWMG-LLVKDONJSA-N 429.300 4.183 10 20 IICD CCOC(=O)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 800472020 DTJLDLKYLCNUNF-QFIPXVFZSA-N 426.513 4.109 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1 800727670 LNQNADXARXSMRS-FQEVSTJZSA-N 434.588 4.022 10 20 IICD Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(O[C@@H](C)CC(C)C)c1 807292047 SYGBMEWPDXLABR-NRFANRHFSA-N 449.595 4.117 10 20 IICD Cc1nc2c(s1)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)CCC2 807647924 MYCPUFHTJYROSD-LJQANCHMSA-N 427.570 4.012 10 20 IICD Cc1ncsc1/C=C\C(=O)N1CCN(C(=O)/C=C\c2scnc2C)c2ccccc21 809239348 VTZZMYGOVMXMOW-XOHWUJONSA-N 436.562 4.323 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 809711919 TYAVTJFEOGQYIJ-NRFANRHFSA-N 438.572 4.026 10 20 IICD C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccsc2S1(=O)=O 812658653 NWKRHHGKZUTCFK-KSSFIOAISA-N 446.550 4.066 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@](CO)(c2ccccc2)C1 813034789 YNFNYNOQLDOELY-RUZDIDTESA-N 428.492 4.203 10 20 IICD CCN1CCN(C(=O)[C@@H](C)SC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CC1 814772880 HSDIMYVEFJDRHU-CRRKTRLDSA-N 445.635 4.157 10 20 IICD CCCCn1nccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 915182044 AJEPJCNEUYOHAG-SQFISAMPSA-N 434.612 4.365 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cc2F)C[C@@H](C)O1 917708353 AMUYEMPLDXLCPY-GASCZTMLSA-N 445.585 4.483 10 20 IICD CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918117276 BSTHFPBVZVDXSW-KRWDZBQOSA-N 449.382 4.037 10 20 IICD COc1ccc(N2CCN(C(=O)CCSc3ncnc4sc(C)c(C)c34)CC2)cc1 919688981 OJONSXIMMOXLJN-UHFFFAOYSA-N 442.610 4.148 10 20 IICD C[C@H](NC(=O)NCCCCOc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920869559 SGYJYAYSMDBTCQ-SFHVURJKSA-N 431.964 4.396 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)s1 921235490 DYQMNYCXWZTKMO-UHFFFAOYSA-N 437.568 4.202 10 20 IICD Cc1ccc(O)c(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1844884626 FDOPBFKHXTZGGV-UHFFFAOYSA-N 443.547 4.239 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2coc(C(C)C)n2)cc1 1848308449 NLCIBKYFEUAEGA-GOTSBHOMSA-N 446.551 4.335 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)c2C)cc1 22766380 GMWMQDXHJUGKMT-QHCPKHFHSA-N 432.499 4.495 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1F 195738792 QTGVKPKGXDGYQE-IBGZPJMESA-N 438.330 4.120 10 20 IICD CCOc1ccc(CN2CCN(C(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)CC2)cc1 303209970 QYKKWILEMMZFMY-UHFFFAOYSA-N 449.595 4.261 10 20 IICD Cc1c(CNC(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)n(C)c2ccccc12 460678897 RSNNAWXRRIQSGH-INIZCTEOSA-N 435.450 4.411 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](c4cccc(Cl)c4)C3)ccc21 513992033 MRLIJCUQAAKCKY-QFIPXVFZSA-N 425.960 4.345 10 20 IICD CC(C)C(=O)Nc1cccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1 546302079 JNWNMVFMGMMPBU-UHFFFAOYSA-N 432.505 4.214 10 20 IICD CC[C@@H](C)Oc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC 726626493 CNVYJISGYCUOFD-KZKLBEMASA-N 442.562 4.377 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2cccnc2)c(C)n1-c1cccc(Br)c1 727170869 AZKBBGMWJXUBJB-UHFFFAOYSA-N 441.329 4.010 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 734647216 FRLSSPISTJJYRD-UHFFFAOYSA-N 432.524 4.400 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 735407053 KJPXUGLMAOVKPH-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCSc3ccc4c(c3)OCCO4)cc2)CC1 737844144 MYKLMLLCZDTJKL-UHFFFAOYSA-N 426.582 4.493 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)cc1)C1CCCCC1 742415981 GYJVINUEHRRDHB-UHFFFAOYSA-N 447.601 4.055 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cs1 743045105 ACMBEADBQKFFMD-UHFFFAOYSA-N 436.492 4.312 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(OC)c(OC)c1 743195314 XJZMMXDPOCCBBJ-UHFFFAOYSA-N 441.528 4.048 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@H]1c1ccccc1 745648664 SUSJXMWPRSBAOJ-PGRDOPGGSA-N 425.548 4.122 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(-n4ncc5c(O)ncnc54)cc3)c2C)c1 747210705 YEKKDUCLXQUSTG-UHFFFAOYSA-N 438.491 4.489 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)cc1 747748046 KSLZCZFQSQOOFC-UHFFFAOYSA-N 425.573 4.411 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1NCc1cccnc1 748042594 IBORUZGHVRYKRC-UHFFFAOYSA-N 441.579 4.478 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)o1 748091943 SJZCMVYFDOVMII-UHFFFAOYSA-N 442.902 4.043 10 20 IICD CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc5c(s4)COc4ccccc4-5)ccc1c23 753691866 PRNPXBRQTAOJGE-UHFFFAOYSA-N 449.513 4.247 10 20 IICD O=C(COC(=O)c1ccnc(O[C@@H]2CCOC2)c1)Nc1ccc(N=Nc2ccccc2)cc1 755033126 KMLDSNMXDALUPM-OAQYLSRUSA-N 446.463 4.460 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccccc1OCc1ccc(Br)cc1 762267294 BFYMQCIMKTYINP-UHFFFAOYSA-N 442.309 4.412 10 20 IICD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCc2cccc(Br)c2O)cc1 764792562 WABICMUWXVHLHN-PXNSSMCTSA-N 433.346 4.430 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4cccc(Cl)c4)n(C)c3=S)CC2)cc1 764911374 RCSZQUDQKFQXOA-UHFFFAOYSA-N 444.004 4.450 10 20 IICD CC(C)O[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 766104821 OAMNAAMJHGIZEN-MOPGFXCFSA-N 425.520 4.148 10 20 IICD C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1 766163479 LZVGWLAPEQZTCB-UZLBHIALSA-N 431.939 4.162 10 20 IICD Cc1cc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c(C)n1-c1ccc(Cl)cc1 773232265 UEXOCIKTFGKDMF-UHFFFAOYSA-N 449.946 4.172 10 20 IICD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773847040 MLCCTFYXGKWBBN-CQSZACIVSA-N 445.585 4.104 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 773860330 YPSCDSOJYZCZGF-QGZVFWFLSA-N 433.508 4.369 10 20 IICD O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 774731507 BQXZCTWVKSGYQI-UHFFFAOYSA-N 439.559 4.017 10 20 IICD C[C@@H](NCC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc(N2CCOCC2)cc1 775253649 AMHABNCTAZWENZ-CLOONOSVSA-N 435.593 4.141 10 20 IICD COc1cc(O)c(CNCC2(c3ccc(Br)cc3)CCOCC2)cc1OC 776154079 NRMWWPQMDCHTPV-UHFFFAOYSA-N 436.346 4.010 10 20 IICD O=C(CN(Cc1ccccc1F)C(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccccc1F 779500295 ONMGZNBAKPNBHF-BENRWUELSA-N 438.430 4.057 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3ccccc3OC(C)C)cc2)CC1 787880166 QDMSREBRBROIAD-FQEVSTJZSA-N 437.584 4.204 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCc1nnc2n1CCOC2 797804713 QYWXQCQTMYRAEN-UHFFFAOYSA-N 448.390 4.383 10 20 IICD Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc(O)c(O)c2)c(Br)c1 799025149 MFXIGDAPCREXEX-KKMIYCERSA-N 446.341 4.390 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)c2C)cc1 805242215 JOCQXZUYMYECLI-UHFFFAOYSA-N 425.872 4.339 10 20 IICD COC(=O)CSCc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806257838 SZJMPLNWFNWVMP-UHFFFAOYSA-N 429.325 4.427 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 807839819 RKYYNKRHJIGICO-VOTSOKGWSA-N 433.335 4.267 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 808529386 HDDZCALTJCHRNI-UHFFFAOYSA-N 435.958 4.356 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(C)n(-c4ccc(F)cc4F)n3)CC2)cc1 808894734 NNBXCUKEKXFBDV-UHFFFAOYSA-N 441.482 4.258 10 20 IICD CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1O 810215317 CVXDBDJCCZJQAY-SCLBCKFNSA-N 430.492 4.463 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC(C)=O 814289565 QZPNOMCPTWUPKT-WMJIUXKQSA-N 433.551 4.019 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1Br 916458120 VWVPPCWXOIFUKO-UHFFFAOYSA-N 443.263 4.235 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1N1CCCCC1 916668486 QMNJJKZGTHQMIC-UHFFFAOYSA-N 426.536 4.099 10 20 IICD CCCCCn1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2c1=O 917364616 KNOFEWZFJDZZHP-FQEVSTJZSA-N 449.551 4.114 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C2CC2)cc1 918084685 DVTCMYNXRXWUKZ-UHFFFAOYSA-N 449.643 4.029 10 20 IICD O=C(Nc1ccc(Br)cc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294241 NMWYVSUZBMLFQH-UHFFFAOYSA-N 447.260 4.054 10 20 IICD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 918593574 YPGACGINPLIHHL-UHFFFAOYSA-N 430.430 4.342 10 20 IICD COCCCCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 920044014 QJGSDVSMOGXWAV-UHFFFAOYSA-N 427.614 4.378 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 920870908 UOOYZYQEGZCYFS-IAGOWNOFSA-N 431.964 4.171 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(N2CCOCC2)cc1 920921347 ZKBBYSQJHLBDRW-AZUAARDMSA-N 434.540 4.315 10 20 IICD Cc1ncc(Br)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 1324562189 UGIKWKCGZXFROI-UHFFFAOYSA-N 429.318 4.049 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1337785420 LYXWPOOAYLQSMV-WIYYLYMNSA-N 447.558 4.294 10 20 IICD Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)co1 1787395985 IIYBCNJUJXQGTG-UHFFFAOYSA-N 441.871 4.109 10 20 IICD N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 60061765 FHZYWHWLANUXJN-UHFFFAOYSA-N 441.413 4.034 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1OC(F)F 69435728 HOHPXQCIERQYQV-LJQANCHMSA-N 434.483 4.184 10 20 IICD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 726248578 ZNHHSXMKMYTNSK-NRFANRHFSA-N 428.621 4.149 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)cc1 726695464 UWXQQGRTOAIRJF-UHFFFAOYSA-N 431.920 4.300 10 20 IICD O=C(Nc1cc(C(F)(F)F)cnc1O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726696626 AIEGRABCRCKPTH-UHFFFAOYSA-N 446.376 4.198 10 20 IICD C[C@@H]1CN(c2ccc(CNS(=O)(=O)/C=C/c3ccccc3Cl)cc2F)C[C@@H](C)O1 727449269 UMGAGJMSBQBHPF-UETGSQEOSA-N 438.952 4.183 10 20 IICD COc1ccccc1C(C)(C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 728751228 MHKOYTBUBGZRNA-UHFFFAOYSA-N 433.499 4.500 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(F)cc3F)cc2)CC1 731120716 ALJYKDUFFODTEF-UHFFFAOYSA-N 444.570 4.475 10 20 IICD O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 731858417 KZPYIDAJFNDNFI-VAMGGRTRSA-N 430.342 4.466 10 20 IICD CCOc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1 732202415 PIYSSUPVQPGTHS-DNQXCXABSA-N 438.568 4.136 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1F 732463525 OICINCVHZRLMDG-QHCPKHFHSA-N 446.611 4.385 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)nc(N4CCCC4)c3)cc2F)C[C@@H](C)O1 732934732 SMQSDAOJPURKGX-HZPDHXFCSA-N 446.954 4.018 10 20 IICD Cc1ccc(OCc2cccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)cn1 733925532 NBKHEMYCQNKOPO-HXUWFJFHSA-N 431.536 4.297 10 20 IICD O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1N1CCCCC1 734843555 NYZGMPSWLFBTJQ-RXVVDRJESA-N 437.462 4.209 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(N3CCC(O)CC3)cc2)c(C)n1-c1ccccc1 735935365 ZEZXEKOZWSKRDS-UHFFFAOYSA-N 432.520 4.095 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CNc2ccccc2Cl)NC(=O)OC(C)(C)C)cc1 742753652 LDDTVTUBBRJNTP-FQEVSTJZSA-N 446.979 4.200 10 20 IICD CCc1nc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742755945 ZZABOABGARIKEB-KRWDZBQOSA-N 432.590 4.076 10 20 IICD O=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 745800071 NZXKZJPPMMGMOV-UHFFFAOYSA-N 442.510 4.132 10 20 IICD Cc1ccc(Oc2ccccc2NC(=O)C(=O)NCCCSc2nccs2)cc1 749730190 KWBXKDYXYXGHEJ-UHFFFAOYSA-N 427.551 4.481 10 20 IICD O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 750302591 MNHIDCOOQVAJKE-MBSDFSHPSA-N 436.512 4.331 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCc2ccccc2C1 751944532 FVDWMDCLYKHPIO-QHCPKHFHSA-N 449.576 4.082 10 20 IICD O=C(/C=C\c1ccc(I)o1)N(Cc1ccco1)Cc1ccccc1O 752087545 UYKHANYSLYGABU-NTMALXAHSA-N 449.244 4.425 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1 754876631 DWBYADLGNRAJDL-NEPJUHHUSA-N 425.298 4.294 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 755128272 UYYMRSIVJHTDSH-QKLQHJQFSA-N 429.511 4.278 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)C(C)(C)C)nc3)cc2F)C[C@@H](C)O1 758403706 OEJONTRWYIIHBC-HZPDHXFCSA-N 435.565 4.019 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 758414667 CUBMAUSIBHRQNS-YQNUULROSA-N 443.546 4.037 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 759577715 CSCBIKHQFBFBRK-RLXIPRIJSA-N 436.291 4.325 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)CC2)cc1 760378945 PCLQYTUXGZJJDO-UHFFFAOYSA-N 444.457 4.252 10 20 IICD COc1cccc(C=C2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 760743353 KZTQPTNVGUDMSU-UHFFFAOYSA-N 439.531 4.060 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(Cn5cncn5)c(F)c4)no3)ccc21 761912072 LQZPWWBZAYLCHD-UHFFFAOYSA-N 446.486 4.400 10 20 IICD COc1cc2c(cc1NCC(=O)NCc1ccc(N3CCCC3=O)cc1)oc1ccccc12 762780958 JCXIJUKKRLEKHV-UHFFFAOYSA-N 443.503 4.450 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCC(=O)c1ccc(Cl)cn1 769597624 KSXJVHOMBIYWLH-UHFFFAOYSA-N 425.710 4.215 10 20 IICD CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 770346050 BXUHEDSVEWGIAA-UHFFFAOYSA-N 427.614 4.102 10 20 IICD O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](NCc2cccc(Br)c2O)C1 775148112 XXTLLWHCCAWBKG-JKSUJKDBSA-N 443.341 4.242 10 20 IICD CN(Cc1ccccc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 775866248 CRSVRUSZQNMTTC-OAQYLSRUSA-N 426.561 4.160 10 20 IICD Cc1nnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(N(C)C)cc2)CC3)n1C 782658878 RSFSRPZRJKAUTQ-OBGWFSINSA-N 438.535 4.477 10 20 IICD CCc1nnc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2)o1 784061233 OEJVWALPHVTEOA-UHFFFAOYSA-N 433.512 4.186 10 20 IICD CN(c1ccc(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)cc1)C1CCCCC1 790263354 PZWHJTBNJAYXTF-JOCHJYFZSA-N 427.618 4.189 10 20 IICD Cc1ccc(F)cc1-c1nnc(NC(=O)NCc2cccc(Br)c2O)s1 791904762 QUWQKMHIEIZLNQ-UHFFFAOYSA-N 437.294 4.442 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3-n3cncn3)SC2=S)cc1 794932541 ALEQOCFRXGZBNJ-NVMNQCDNSA-N 441.969 4.393 10 20 IICD COCCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800637444 YSIWAOOEXJDMKJ-QGZVFWFLSA-N 443.975 4.020 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl 806169981 UEIWMLMINJBSMB-HZPDHXFCSA-N 447.929 4.161 10 20 IICD CS(=O)(=O)Nc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl 806293852 DCZXLYHZVKRNSP-UHFFFAOYSA-N 438.720 4.046 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)nn(C)c3C)c2C)cc1 806708077 BKETUEVIJGJOOP-UHFFFAOYSA-N 437.540 4.202 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1 809144501 NVHQTTINVPDXFI-ODLFYWEKSA-N 433.526 4.403 10 20 IICD C[C@H]1CCCN(c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)ccn2)C1 812457126 DRQVOTQFAKZAOU-GBXCKJPGSA-N 436.600 4.205 10 20 IICD CN(C)c1ccc(CN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C2CC2)cc1 917418147 YDUFYQAEQOAMHE-UHFFFAOYSA-N 425.533 4.160 10 20 IICD CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 917431273 PAKPXUOKGIWBJV-UHFFFAOYSA-N 436.474 4.372 10 20 IICD CCc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(C)C)cc1 918118431 SBJZIYHSFZBNPA-UPVQGACJSA-N 436.600 4.147 10 20 IICD Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1116584310 DLUTWZMLVXXGJF-LEWJYISDSA-N 443.632 4.116 10 20 IICD C[C@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cc(Br)cc(F)c1O 1254729699 LFRGHGSDWGXPFI-JTQLQIEISA-N 449.242 4.393 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)c2C)cc1 1322275748 XGJJCSNVUXUJDZ-OAQYLSRUSA-N 431.536 4.137 10 20 IICD CCn1c(SCC(=O)NCc2c(C)c3ccccc3n2C)nnc1-c1ccccc1C 471224550 PYTZURJRIJVPDL-UHFFFAOYSA-N 433.581 4.482 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1 726698453 UIBQWWJJTQGCID-UHFFFAOYSA-N 434.496 4.331 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2F)CC1 730134344 YPTWWBGHVVBXEN-QFIPXVFZSA-N 428.527 4.153 10 20 IICD O=C(NCc1ccccc1O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 730832477 OSZNYNSVXNURMQ-UHFFFAOYSA-N 431.201 4.229 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1csc(-c2cccc(Cl)c2)n1 732273981 IBPUPZAGRCAFTK-UHFFFAOYSA-N 445.947 4.494 10 20 IICD Cn1nc(-c2ccccc2)c(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c1Cl 734752894 LBVZRHAWHBFHEV-KAMYIIQDSA-N 432.867 4.093 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(O)c1 740923842 NKTDJUOYDAMULV-UHFFFAOYSA-N 443.569 4.222 10 20 IICD COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 741213353 YNMRWUSGBKKEAO-LJQANCHMSA-N 433.390 4.369 10 20 IICD C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1ccc2c(c1)CCCN2C 741678997 FFYOMWXRGYNRTJ-OAHLLOKOSA-N 429.358 4.357 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3)cc2)C1 741912603 DLDVALCJMBVVSC-FQEVSTJZSA-N 445.588 4.470 10 20 IICD CCOc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742753098 IVWGRYXDIBNCSH-OAQYLSRUSA-N 427.545 4.147 10 20 IICD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2ccccc2)cc1 743856982 QOEDIKQJISJEQX-UHFFFAOYSA-N 433.527 4.082 10 20 IICD CN(Cc1nccs1)Cc1c(O)ccc2ccc(O)c(CN(C)Cc3nccs3)c12 746389041 ONZMQDAZDXJMOB-UHFFFAOYSA-N 440.594 4.428 10 20 IICD CCn1c(/C(Cl)=C\c2cccnc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 747142066 ZWPBDTQNPVFQFW-QGOAFFKASA-N 430.961 4.363 10 20 IICD COc1ccc(N(C)CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1F 747657081 LLLPKHCEEWLEDD-UHFFFAOYSA-N 444.894 4.165 10 20 IICD Cn1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(C(F)(F)F)n1 748795737 BUPDVTFGHMCEGF-UHFFFAOYSA-N 430.390 4.109 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=O)NCc2c(O)ccc3c2CCCC3)ccn1 750611346 HSDNNYZUNBKWLN-UHFFFAOYSA-N 446.507 4.140 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 751307643 YPHVQHHBULHICA-CJFMBICVSA-N 435.612 4.491 10 20 IICD Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc12 753637887 YNONAIXZYPWYMA-GFCCVEGCSA-N 425.485 4.307 10 20 IICD O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754549198 VORQYYUFHSMOML-UHFFFAOYSA-N 442.471 4.107 10 20 IICD Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(Br)n1 755843059 YBPFMKKZUFQPJO-UHFFFAOYSA-N 440.288 4.153 10 20 IICD CCOc1ccc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nc1 756370542 KXONWHDPJKHTAF-GZTJUZNOSA-N 448.591 4.267 10 20 IICD C[C@@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cc(Br)cc(F)c1O 756843316 BZSJEAWHITUYKJ-CYBMUJFWSA-N 437.357 4.392 10 20 IICD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 758970696 SBCDNAOTVDMWIN-UHFFFAOYSA-N 444.438 4.005 10 20 IICD C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 760093159 VOGSYJOVECRJEQ-FQEVSTJZSA-N 445.567 4.080 10 20 IICD O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OCc2ccccc2)c1 760703035 MYMSWBLBACGSTI-SANMLTNESA-N 436.527 4.065 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 761645494 AACJHFAPDJTRRE-UHFFFAOYSA-N 425.872 4.368 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)cccc12 766744404 WTCDPRDDSZOVKM-UHFFFAOYSA-N 443.506 4.156 10 20 IICD COc1cc(-c2noc(CSc3ncc(-c4ccccc4)n3C)n2)cc(OC)c1OC 767717160 YKTYDFKGSBTHBI-UHFFFAOYSA-N 438.509 4.455 10 20 IICD COc1cc2c(cc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(=O)CC2 767954164 RODBPLYUMKWATN-UHFFFAOYSA-N 448.523 4.473 10 20 IICD C[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c2ccccc21 769709642 PKYZWQLBBNBDTQ-AWEZNQCLSA-N 428.535 4.409 10 20 IICD Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771057426 JCXCYONSMIUERC-LJQANCHMSA-N 425.916 4.403 10 20 IICD CCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H](C)CS(=O)(=O)CC 772118448 RLOJIKIHGYHNLO-QGZVFWFLSA-N 430.574 4.453 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 773739476 ANFVVHGGFNMVCO-GFCCVEGCSA-N 447.354 4.274 10 20 IICD C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 773746023 SYUORNTXNHKHOF-VWKPWSFCSA-N 428.529 4.047 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 774945729 BZXVNICPZHKCEP-LBPRGKRZSA-N 426.319 4.001 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 775368850 HLCMQQHMHRJQGW-JPYJTQIMSA-N 443.547 4.481 10 20 IICD C[C@H](NC(=O)c1cc(Br)c(O)c(Br)c1)c1ccc(N(C)C)cc1 775409309 DSGSHVFJTBXUJF-JTQLQIEISA-N 442.151 4.474 10 20 IICD CC[C@@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cc(Cl)ccc1O 775485336 QXPJYXWNSWJTJO-UXHICEINSA-N 434.964 4.177 10 20 IICD CC[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1O 775496022 DJIIMKYXYHWYSK-MRXNPFEDSA-N 432.767 4.323 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2)oc1C 783315271 BYWXQSUSUKWOPQ-UHFFFAOYSA-N 434.540 4.400 10 20 IICD COC(=O)C[C@@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccncc1 786241096 QOKVXSUQHMNVIH-OAQYLSRUSA-N 425.916 4.106 10 20 IICD COc1ccc(CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(O)c1 792827494 DOEWFLZITDDGEG-NRFANRHFSA-N 434.471 4.130 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 792955934 BOTQBPJNMQZRFF-LJQANCHMSA-N 439.865 4.268 10 20 IICD COc1ccc([C@H](Cc2ccncc2)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 796699936 BOQRXMQZLPJWEJ-VWLOTQADSA-N 435.543 4.264 10 20 IICD Cc1onc(-c2cccnc2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 808361617 WIWANGAOMKBQJV-UHFFFAOYSA-N 434.496 4.443 10 20 IICD O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 810445107 LNFWRAHTISWYBX-WIOPSUGQSA-N 428.492 4.323 10 20 IICD Cc1cc(C(=O)COC(=O)CCNC(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 849198269 PTXMBTAEFPDUEC-UHFFFAOYSA-N 446.862 4.026 10 20 IICD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2cc(Cl)cc(F)c2O)N1 877850662 WRMGGLNXOBAYSO-HSZRJFAPSA-N 426.875 4.394 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 916699760 UCMFBGCRWOIJQU-UHFFFAOYSA-N 438.456 4.071 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1 917006073 KFRKDGJZSYGAIX-PMAPCBKXSA-N 443.538 4.032 10 20 IICD CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(N3CCCCC3)=NC2=O)cs1 917560199 SIQKORKDPNBXQQ-BOPFTXTBSA-N 430.530 4.423 10 20 IICD CCOc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1OCc1cccnc1 918371948 MWZNOIHUUWJQRR-UHFFFAOYSA-N 433.508 4.148 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)cc1 918461349 UUGAENMVQGZEKJ-UHFFFAOYSA-N 429.520 4.040 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 919749447 XIXBJWKWXOCFFZ-UHFFFAOYSA-N 439.512 4.479 10 20 IICD CN(C)c1ccc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 919896679 JOANBFOLVGXDCT-UHFFFAOYSA-N 435.490 4.319 10 20 IICD CNS(=O)(=O)c1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1F 1322225066 GGYWDYLMJSBWBT-UHFFFAOYSA-N 435.908 4.047 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 25008442 VDMKZYIUSFRMGQ-UHFFFAOYSA-N 426.929 4.318 10 20 IICD Cc1cc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)ccc1F 32469572 INGPZWKIRJFODH-GZTJUZNOSA-N 434.583 4.493 10 20 IICD Cc1cccc([C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N2CCOCC2)c1 725847811 RFYABTOSRHTPMS-VWLOTQADSA-N 438.572 4.057 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1-c1ccccc1 727245100 BQSFMVASBFJJAI-UHFFFAOYSA-N 447.494 4.004 10 20 IICD CCN(CC)C(=O)COc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1Cl 729036635 FNERKDWNWSCUKS-AWEZNQCLSA-N 449.935 4.184 10 20 IICD O=C1[C@H](NCc2cc(Br)ccc2O)CCN1c1ccc(C(F)(F)F)cc1 733800541 YMTBIDHOAOKYLN-OAHLLOKOSA-N 429.236 4.069 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(C)c1C 735407422 GZAUPUUYSFJBGY-UHFFFAOYSA-N 440.550 4.422 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2[nH]ncc12 736994474 UIZUSXUNRWHSIY-UHFFFAOYSA-N 433.434 4.048 10 20 IICD Cc1cc(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 739812480 GACJZKZJPHDQME-LJQANCHMSA-N 449.938 4.134 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(Cc2ccccc2Cl)CC1 740916022 WDBBKAXYHNMDMG-UHFFFAOYSA-N 439.003 4.428 10 20 IICD Cc1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 742199819 FCLLWAQPHUEKCH-UHFFFAOYSA-N 441.881 4.278 10 20 IICD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 742483828 YMWJBPIAXBHQCK-HSZRJFAPSA-N 439.625 4.153 10 20 IICD COC(=O)c1cc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1OC 742758924 OQGDTAGBVFNUBI-UHFFFAOYSA-N 439.556 4.250 10 20 IICD COc1ccc(CC[C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 742760757 RARGJKFHXLMOJL-IPMKNSEASA-N 443.563 4.268 10 20 IICD COC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743107842 MHKIQVLNDSUMRM-MRXNPFEDSA-N 434.443 4.257 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 743108984 GLJXBVSTEZJLEL-UHFFFAOYSA-N 448.361 4.435 10 20 IICD O=C(NCc1nc2ccccc2s1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743516772 TXAFHKRWJYJJOS-CQSZACIVSA-N 432.496 4.366 10 20 IICD CN1CCCc2cc(CNC(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)ccc21 743639922 ZOUSOKWARVMZNK-UHFFFAOYSA-N 442.869 4.014 10 20 IICD O=C(NCCc1ccn(-c2ccc(F)cc2)n1)N(Cc1ccco1)Cc1ccccc1O 745891848 GMKILYWKVXDVHA-UHFFFAOYSA-N 434.471 4.265 10 20 IICD O=C(/C=C/c1cccc(OC2CCCC2)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406807 QDKIFRNFKBOGGM-PKNBQFBNSA-N 438.543 4.438 10 20 IICD O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1ccc(N2CCSCC2)cc1 751637465 XPDCEJPKBYUFJX-UHFFFAOYSA-N 433.577 4.073 10 20 IICD C[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1Cl 751932230 SSKHUOILLWXQEO-CYBMUJFWSA-N 429.929 4.004 10 20 IICD COc1cccc(-c2nc(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)[nH]2)c1 755788260 GGSXKVBTAHJWAJ-QHCPKHFHSA-N 448.567 4.281 10 20 IICD C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc(Br)cc(Br)c1O 756590619 OKXRBIRXQJPYLV-YBYGRFCBSA-N 427.202 4.115 10 20 IICD CCOc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1OC(F)F 756932536 CISQBJGLCDNAOW-INIZCTEOSA-N 449.498 4.084 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759221270 NMIDRPUAKIKHMH-XZOQPEGZSA-N 446.547 4.318 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3cccc(F)c3)no2)c1)c1cccs1 761339052 OFVNOCWGKHQVGB-UHFFFAOYSA-N 431.470 4.034 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 764251139 DIWYERRHJAAYDJ-UHFFFAOYSA-N 445.567 4.205 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 765764119 JOQNGVKLBSSIIX-UHFFFAOYSA-N 442.191 4.154 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(OC)c3)n2)cc1 767675275 LMUZUFYLPLMCFG-UHFFFAOYSA-N 425.919 4.067 10 20 IICD CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 769493227 YGMDYAQFIMZEOR-NRFANRHFSA-N 434.506 4.408 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C)c(O)c1O)CC2 770470558 XOKBEEMITMOYLO-FQEVSTJZSA-N 425.506 4.273 10 20 IICD CN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)[C@@H]1c1cccc(Br)c1 772124700 OWBGBOZNNUTMAD-AWEZNQCLSA-N 429.101 4.478 10 20 IICD C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1 772875198 MDTAKSFXEFTZQL-XXBNENTESA-N 431.621 4.163 10 20 IICD COc1cccc([C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)c2cc(F)ccc2OC)c1 775034955 VKGUMWOPSCCMTB-NRFANRHFSA-N 442.443 4.345 10 20 IICD CC(C)N1CCN(c2cccc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)c2)CC1 777285635 CXEPVBJDBOQBNL-HXUWFJFHSA-N 426.580 4.366 10 20 IICD C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 777302442 PRERUSWIQOWJBV-PYWWZBFYSA-N 445.629 4.407 10 20 IICD C[C@@H]1CN(c2ccc(CNCc3cnn(Cc4ccc(F)cc4)c3)cc2F)C[C@@H](C)O1 780508143 GDJKEONYCGELIS-QZTJIDSGSA-N 426.511 4.113 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(N)cc1 783483406 WBDPBQQWFIPQOK-AWEZNQCLSA-N 439.418 4.323 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 784028667 YXIVSFNXBUNGCM-QFIPXVFZSA-N 446.551 4.200 10 20 IICD CN(C)c1ccc(CNC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1 786178730 LLVJGTQWPPMBMD-UHFFFAOYSA-N 446.389 4.406 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC(C)C)c(OC)c1 791247283 CXOAQDLMTKRNBE-UHFFFAOYSA-N 442.556 4.485 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1Br 792280403 OXTZLXFQYUWYEO-UHFFFAOYSA-N 425.710 4.185 10 20 IICD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1SC 792703031 OZWBYPCACXPIFJ-UHFFFAOYSA-N 438.752 4.339 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)ccc1-n1cccn1 793346143 HEBFOOBDJVHXSE-UHFFFAOYSA-N 430.430 4.012 10 20 IICD CC(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)Oc2ccccc21 800048562 FGJPORAYJAVPIB-HJPURHCSSA-N 441.959 4.007 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2Cl)C1 800049188 HFKSKIWPDALNAR-INIZCTEOSA-N 434.989 4.051 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 802549565 QKHHJUPNKZCDSC-WZONZLPQSA-N 435.572 4.003 10 20 IICD Cc1cccc(-c2cccc(CNC(=O)C(=O)NCCCSc3nccs3)c2)c1 804210335 WRSNQOHOBMVKKW-UHFFFAOYSA-N 425.579 4.033 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cc(F)c(C(F)(F)F)cc3F)CC2)cc1 806053975 IUFZZBAHZAQJQW-UHFFFAOYSA-N 443.416 4.414 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ncc(C2OCCO2)s1 809635357 GVCXZRDUANBVRJ-UHFFFAOYSA-N 431.558 4.166 10 20 IICD CC(C)(C)OC(=O)Nc1cc2c(cc1NCc1ccc(N3CCOCC3)cc1)OCO2 816602948 SRDIJXOSGTTWCU-UHFFFAOYSA-N 427.501 4.211 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 915289934 BGOPZSNFRIIFIL-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CC(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C 916677427 PUGKCCFVFHNMOS-GJZGRUSLSA-N 428.508 4.028 10 20 IICD Oc1ccc2ccncc2c1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 917433681 SNXGONYEOKMLEH-OAHLLOKOSA-N 427.430 4.382 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSCCCc3ccccc3)cc2F)C[C@@H](C)O1 917713277 KHONZOOZZSOJIA-RTBURBONSA-N 430.589 4.422 10 20 IICD COc1cccc(C[C@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)c1 918070672 OJQWSSNEYIUMKP-JOCHJYFZSA-N 425.598 4.165 10 20 IICD Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 919920466 WTOTVAVDMBTYMJ-NRFANRHFSA-N 433.474 4.337 10 20 IICD C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOCC2)cc1 920870299 PRUBBMRPWDJDEY-CYBMUJFWSA-N 448.894 4.235 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNc2cccc(Cl)c2F)c1 921144364 YVZRXDMJNQMTJZ-UHFFFAOYSA-N 444.985 4.132 10 20 IICD O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)c1ccc(O)nc1 1116359193 ZDCCXPHDJYJHPT-UHFFFAOYSA-N 443.459 4.181 10 20 IICD COc1ccc(-c2nc(CC(=O)Nc3c(Cl)ccc4nonc34)cs2)cc1OC 1116850198 ICJITEZAFCQOJI-UHFFFAOYSA-N 430.873 4.198 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)c2C)cc1 27162686 NVDYMUHZTYBTQI-UHFFFAOYSA-N 443.429 4.094 10 20 IICD Cc1ccc(Cn2ncc3c(C(=O)N(C)Cc4ccc(N(C)C)cc4)cc(C)nc32)cc1 45527506 LVSANDIGSDTIKZ-UHFFFAOYSA-N 427.552 4.435 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 195700721 WFQRKZQQOYMHEZ-UHFFFAOYSA-N 448.894 4.268 10 20 IICD CCc1cc(O)nc(-c2ccc(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc2)n1 301419149 CBRYIYAUFTWJPO-QGZVFWFLSA-N 441.482 4.489 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)cn4)C3)ccc21 483027471 NFWVAQFBDVSMAC-OAQYLSRUSA-N 448.567 4.099 10 20 IICD CC(=O)N1CCN(c2ccccc2CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 725744401 OPNNVGHBDIEXSN-UHFFFAOYSA-N 444.579 4.001 10 20 IICD O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N(Cc1ccco1)Cc1ccccc1O 726090842 ZVTGSMYYZZTZED-UHFFFAOYSA-N 433.508 4.133 10 20 IICD Cc1oc2c(CN3CCC[C@H](CNC(=O)C(C)C)C3)c(O)ccc2c(=O)c1-c1ccccc1 726183824 UJWOTEJVQRFLHO-LJQANCHMSA-N 448.563 4.458 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726567618 NYWZBCDMGJFGJC-UHFFFAOYSA-N 431.483 4.281 10 20 IICD COc1ccc(N2CCCN(Cn3c4c(sc3=O)C[C@@H](C(C)(C)C)CC4)CC2)cc1 728043685 HVONMGLWEVOXOL-SFHVURJKSA-N 429.630 4.239 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)ccc21 728638121 VZNWGKHKGYULKD-OAHLLOKOSA-N 429.904 4.137 10 20 IICD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 730384814 YHEGSSKKMQCGDM-SFHVURJKSA-N 442.516 4.187 10 20 IICD COC1CCN(C2(CNC(=O)NCc3ccc(N4CCC(C)CC4)cc3)CCCC2)CC1 731048343 JKHLDFMRHPOATF-UHFFFAOYSA-N 442.648 4.146 10 20 IICD CCCCN1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731220881 XAPVLDNMRVFVJV-HXUWFJFHSA-N 438.563 4.211 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cncc(-c3cnn(C)c3)c2)cc1 732114679 LAEXOYOGBREFIV-UHFFFAOYSA-N 441.535 4.404 10 20 IICD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COC(=O)c1cc(O)cs1 732352758 FUXAHZDOLYGFGP-OAHLLOKOSA-N 438.505 4.082 10 20 IICD Cc1cccnc1[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(C)C 741789210 XVXIOFBDBBXZFD-QHCPKHFHSA-N 427.504 4.091 10 20 IICD C[C@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C[C@@H](C)S1 742772128 HINSELKYMICRFG-CALCHBBNSA-N 426.607 4.334 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743552391 MURDRLJLNHBDGN-IBGZPJMESA-N 444.526 4.356 10 20 IICD CCN(Cc1csc(CC(=O)OC(C)C)n1)Cc1cc(Br)ccc1O 743870958 JIZYYVWRISOBNQ-UHFFFAOYSA-N 427.364 4.127 10 20 IICD Cc1cc(C(=O)N2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1Br 748585225 NIQMDGGCQDYOKH-SFHVURJKSA-N 447.373 4.267 10 20 IICD O=S(=O)(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C2CCCCC2)cc1 751229115 TZVJVOGIVRRHJX-UHFFFAOYSA-N 446.588 4.313 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 756463586 UKMLHPCQQODUEF-MSOLQXFVSA-N 429.561 4.424 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)c1 761974127 UQLCHVVKXSYOKS-PZBISTMVSA-N 436.552 4.362 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Br)c(O)c1 764093694 HFXYLMFELLKTSY-UHFFFAOYSA-N 441.272 4.155 10 20 IICD O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1 769166649 LHTWSASZIMJNEB-ISKFKSNPSA-N 429.605 4.004 10 20 IICD COc1cc(SC)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 773613026 NLPNBWZQGHMATN-UHFFFAOYSA-N 428.554 4.423 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)sc1Br 773744380 APYVTDFPUMVXKD-SSDOTTSWSA-N 435.137 4.045 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cnn(CC(F)(F)F)c1 775152016 MOOVVWTVKWWQIQ-UHFFFAOYSA-N 440.831 4.162 10 20 IICD Fc1ccc2c(c1)CCC[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775374911 GIWLPSHDURSGKT-QHCPKHFHSA-N 435.522 4.249 10 20 IICD CCOC(=O)COc1c(Br)cc(C)cc1CNCc1ccc(N(C)C)cc1 781921387 DGKUHIRGXVHFOE-UHFFFAOYSA-N 435.362 4.055 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 783317437 SGWPKKHZMQODTM-UHFFFAOYSA-N 437.540 4.170 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc(N)cc1 783484602 FOXSJQCDNZVLGG-XMSQKQJNSA-N 445.519 4.169 10 20 IICD CCCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1 783934837 ZAQZZUMBOODDPR-GOSISDBHSA-N 436.531 4.292 10 20 IICD CC1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC(C)(C)O1 785803277 LVAVOFUZRYHJGS-RVDMUPIBSA-N 438.640 4.146 10 20 IICD Cc1ccc(-n2ncc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2C(C)C)cc1 792457722 WKNLTKBSGQPJKB-UHFFFAOYSA-N 433.556 4.462 10 20 IICD Cc1ccc(Cl)c(N(Cc2cccnc2)S(=O)(=O)c2cccc3nsnc23)c1 799187427 RRZFATIRRSGXRD-UHFFFAOYSA-N 430.942 4.444 10 20 IICD COC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1OC(C)C 799246963 GUTWQOFLSNTOCE-GOSISDBHSA-N 442.512 4.179 10 20 IICD CCCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1 800637239 VMWFVBWTWSZSIR-AWEZNQCLSA-N 434.993 4.240 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 802026195 AMMSOUXXYFXIGA-UHFFFAOYSA-N 426.557 4.461 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc(O)ccc2Cl)NC(=O)OC(C)(C)C)cc1 810447080 IFQJNLRHETYAIJ-IBGZPJMESA-N 433.936 4.107 10 20 IICD COc1ccc(N2CCN([C@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1 811502722 ZNDUPRRJYUBVES-GOSISDBHSA-N 428.602 4.028 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 811822437 HWEBXCRJVVGWKT-UHFFFAOYSA-N 440.905 4.119 10 20 IICD C[C@@H](NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(N2CCOCC2)cc1 813606908 YAFFPBJXHBFBMB-QGZVFWFLSA-N 447.501 4.487 10 20 IICD Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)CC(F)(F)F)c(C)n1-c1ccccn1 914904922 FMAJCPSWQIBAEJ-UHFFFAOYSA-N 445.441 4.237 10 20 IICD O=C(NCc1csc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916625894 RKWJIHXQYQEHSD-OAHLLOKOSA-N 425.348 4.107 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3Cl)cc2)C1 917595711 IMNBAYBUCQVPCL-CQSZACIVSA-N 437.396 4.182 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccc(Cl)s2)on1 919970836 FMOQHDVPTPQDET-UHFFFAOYSA-N 435.908 4.087 10 20 IICD CSc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1-c1ccc(F)cc1 920882194 UXBXJGNDTCRHOA-MRXNPFEDSA-N 440.544 4.061 10 20 IICD O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1 921073369 BCRZLUWHCVLUMJ-UHFFFAOYSA-N 436.383 4.244 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(OCC(F)(F)F)n3)ccc21 1116820225 VBJJAMYDUPYYIS-UHFFFAOYSA-N 435.446 4.171 10 20 IICD Cc1cc(F)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c1 1788427670 ASXILAIBNOVVPB-UHFFFAOYSA-N 435.455 4.002 10 20 IICD COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(C)C 16134714 MTJGGVPVCIFYLJ-UHFFFAOYSA-N 446.975 4.492 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCC(=O)c1ccccc1 110754918 XORPUYKGUHLYID-UHFFFAOYSA-N 433.455 4.204 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2ccc(Br)cc2[nH]1 303058560 ZSRZNTISKIAMLC-UHFFFAOYSA-N 442.357 4.069 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H](Oc1ccccc1)c1ccccc1 303715522 QSDZWBKPWNHUEJ-AREMUKBSSA-N 430.548 4.332 10 20 IICD CO[C@@H](C)c1nc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cs1 546529742 FHXWFULNQDBHIE-ZDUSSCGKSA-N 440.550 4.016 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cnc(C2CC2)nc1 728478473 BESWKSQLVMBAHM-DHDCSXOGSA-N 430.580 4.036 10 20 IICD CCCN(C)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 728833314 DERUOSAQZYNVOM-UHFFFAOYSA-N 430.552 4.277 10 20 IICD COCCN(CCCOc1ccc(F)cc1)C(=O)c1cc(C)n(-c2ccccn2)c1C 730784799 SQKIKKIGHZXERU-UHFFFAOYSA-N 425.504 4.186 10 20 IICD COc1ccc(-n2ccc(CNC(=O)NCc3ccc(N4CCC(C)CC4)cc3)n2)cc1 731049663 IXMBCQYDAZRGTA-UHFFFAOYSA-N 433.556 4.117 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)c1ccccc1 732756991 DRVSRTHDVLMUAZ-MRXNPFEDSA-N 434.458 4.067 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2c(c1)C[C@H](C)O2 735330541 QULXPUFRTOEEQU-LJZVVVFJSA-N 427.503 4.153 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCC(F)(F)F 738951151 ITOLOOQWMRQCQY-UHFFFAOYSA-N 437.462 4.437 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)c2)CC1 739597979 AQKZHPMDJKMKGO-UHFFFAOYSA-N 447.988 4.369 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 742799443 AVDYCEMFMZSXEH-LEWJYISDSA-N 443.538 4.285 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1OCC(F)(F)F 742801088 YNZLWJNTLRPMBG-CYBMUJFWSA-N 445.388 4.023 10 20 IICD O=C(Nc1ccccc1-n1cccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743098270 OHHOBANQVZYPFN-MRXNPFEDSA-N 427.455 4.264 10 20 IICD Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 743315769 BJWVIVVVAJDGDC-FPOVZHCZSA-N 436.600 4.083 10 20 IICD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)cc1 743718731 KDZSJDYEBXCTLG-UHFFFAOYSA-N 449.572 4.483 10 20 IICD C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H](C)c1ccccc1 747311352 LPIUPGVAGWHUKZ-LSDHHAIUSA-N 428.444 4.292 10 20 IICD CCOCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 749390728 YBCBMXWFYFEXBQ-UHFFFAOYSA-N 439.600 4.106 10 20 IICD Cc1nc(O)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1-c1ccccc1 749912234 XBHZGSRQMCKJTI-CALCHBBNSA-N 449.526 4.445 10 20 IICD Cn1c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2cc(Cl)ccc21 752059764 KZLVIEYQZSNBON-UHFFFAOYSA-N 438.881 4.372 10 20 IICD COC(=O)COc1ccccc1[C@@H](C)NC1CCN(c2ccc(OC(F)F)cc2)CC1 753658063 KWPLYFLLJHNXRX-MRXNPFEDSA-N 434.483 4.159 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](COc2ccccc2Cl)C1 754107255 VZXVGAIOLJOJFQ-HXUWFJFHSA-N 443.975 4.177 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 758366582 WCJWXCHIIDFLBY-DHIUTWEWSA-N 443.588 4.441 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(N2CCOCC2)=NC1=O 759074507 FQXDJNCJRVBESA-DTQAZKPQSA-N 430.961 4.126 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 759877719 ZCZXMWBMHJNLLY-VFDYIDJGSA-N 438.540 4.110 10 20 IICD COc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 764907474 HKMPWERZOYFZFA-UHFFFAOYSA-N 436.474 4.145 10 20 IICD CCOC(=O)C(C)(C)n1cc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 766162091 NHCZPUDTSAFRQG-UHFFFAOYSA-N 428.533 4.254 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(OC[C@H]2CCOC2)c(F)c1 767673055 VHKKSBWXWZQNSS-AWEZNQCLSA-N 434.514 4.165 10 20 IICD CSc1ccccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 768169588 VSRQZSWVJFTUIB-UHFFFAOYSA-N 428.558 4.378 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)cs1 768862655 WOIYVSSYDJBJIF-UHFFFAOYSA-N 446.329 4.343 10 20 IICD CCOc1cccc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1O 769405348 XFDQURSAWKIJMT-UHFFFAOYSA-N 425.916 4.480 10 20 IICD COc1ccccc1[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OC(C)C 771369607 QOPXSBASEKRPBF-RDPSFJRHSA-N 442.556 4.258 10 20 IICD C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(N(C)C)cc1 773990153 SXQTWKWZQHVLCR-INIZCTEOSA-N 441.528 4.184 10 20 IICD CCN(CCC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1)CC(C)C 774197444 ZAGXVVGHKZRJTQ-JOCHJYFZSA-N 444.664 4.374 10 20 IICD Cc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 775261543 VZYMRZXIGRRWNA-GOSISDBHSA-N 436.581 4.244 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c1 775370737 PVGGFNXJGNBFOK-VGSWGCGISA-N 433.508 4.331 10 20 IICD COc1ccc([C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C(F)(F)F)cc1 775992105 PHWGASNASIAMPW-FQEVSTJZSA-N 437.462 4.229 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ncc(Br)cc3F)cc2F)CC1 779025143 WBGQLACQXKPBML-AWEZNQCLSA-N 439.348 4.115 10 20 IICD Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c(O)c1O 785843806 LDZGSWIAOCUUFI-OAHLLOKOSA-N 444.285 4.196 10 20 IICD Cc1c([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc2ccccc12 790218684 CGFOAQBEPJOHBH-INIZCTEOSA-N 425.504 4.402 10 20 IICD COc1cc(O)c(CNc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1OC 790945379 PTFOOKLQPFRLEE-UHFFFAOYSA-N 435.318 4.020 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)cc1 794861537 IUFIGLNQSOCGAT-GXDHUFHOSA-N 433.473 4.172 10 20 IICD CCOC(=O)COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 800559548 DOMUYPUWGPRXEC-UHFFFAOYSA-N 425.529 4.283 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc2cc(C)ccc2n1C 802322841 CFNFGSHKBOOMPN-UHFFFAOYSA-N 431.334 4.082 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 802609648 IEXKLMNTGRVQLA-UHFFFAOYSA-N 444.503 4.254 10 20 IICD CCc1nc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cs1 806115078 QZHMZFKFCJBYCZ-CABCVRRESA-N 449.020 4.089 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)c2ccccc12 806493785 DPRVREQXRCABCC-PKOBYXMFSA-N 448.542 4.241 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-n2nccc2C)cc1 807931574 VEFRASZIGSCGJX-UHFFFAOYSA-N 434.540 4.183 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 811518423 KIQNQBLVQKANHQ-GDBMZVCRSA-N 431.168 4.451 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 914505531 KFJBRYFPTDRKGD-NTCAYCPXSA-N 433.596 4.442 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3Br)nn2)cc1 914719994 OSMFXSNMAOWYML-UHFFFAOYSA-N 442.361 4.148 10 20 IICD CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccsc1 916437139 PTJLRFJNRUJMBK-SFTDATJTSA-N 431.602 4.227 10 20 IICD CCCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 916495217 GMUKSOKXHOCCMP-IBGZPJMESA-N 441.572 4.223 10 20 IICD O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 918739576 HEKXXQPETLKDRH-UHFFFAOYSA-N 426.519 4.160 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2cccc(Br)c2)CC1 919969155 PHGCQWUASGTRCV-UHFFFAOYSA-N 443.385 4.006 10 20 IICD Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 919970127 PVMVGVCCXXCZIH-UHFFFAOYSA-N 436.596 4.490 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(CC(F)(F)F)C1CC1 920014223 UNTXARPHILDMDW-LCYFTJDESA-N 434.530 4.283 10 20 IICD C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCN(C)CC3)c(F)c2)SC1=S 1115863442 CBHJLDFEUFOEDJ-PLVPAVARSA-N 433.618 4.357 10 20 IICD O=C(Nc1ccc(Br)cn1)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 1116440017 HTFZQJMPQNVOLK-UHFFFAOYSA-N 443.389 4.295 10 20 IICD COc1cccc(C(NCc2ccc(N3CCN(C)CC3)c(F)c2)c2cccc(OC)c2)c1 1318973815 KVDXZYLUPWYBSY-UHFFFAOYSA-N 449.570 4.474 10 20 IICD O=S(=O)(Cc1ccc(Br)cc1F)NCc1ccc(N2CCCCC2)cc1 1334010803 PTGBSVZCSVSTQS-UHFFFAOYSA-N 441.366 4.198 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826277927 DYXANSGOIFXJRT-IBGZPJMESA-N 432.948 4.095 10 20 IICD CCOC(=O)c1ccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 16183691 KCTSEGCIBKJVSO-UHFFFAOYSA-N 428.392 4.104 10 20 IICD CN(C)c1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 18061253 XEVMCQMVWHSJIR-UHFFFAOYSA-N 426.498 4.074 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N[C@H]1CCOc2ccccc21 21729064 MVKGAVAXOPFYCC-CTNGQTDRSA-N 449.576 4.461 10 20 IICD CCCCOc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OCC 97444707 OYCDXNZZRCNOMP-UHFFFAOYSA-N 444.547 4.294 10 20 IICD CCOC(=O)c1sc2ncnc(N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 301081086 CRUURRACTGBRCD-OAHLLOKOSA-N 426.542 4.186 10 20 IICD CC(C)(C)c1noc(-c2ccccc2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 303730919 VEMHAUDXUHMMFF-UHFFFAOYSA-N 448.567 4.173 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 427322602 UCSROTUBEPTSDA-UHFFFAOYSA-N 437.540 4.257 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)ccc1I 437028320 XTLYXGYUUZSAKJ-UHFFFAOYSA-N 442.684 4.050 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 726103208 LAFJDJTXQKPUEX-UYAOXDASSA-N 432.609 4.368 10 20 IICD C[C@@H](NC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 726468637 KWBMHUIKDKSPHO-CYBMUJFWSA-N 429.533 4.329 10 20 IICD CC(C)NC(=O)Nc1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565214 GXFVEHURJCYHHX-UHFFFAOYSA-N 446.498 4.217 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCCCO3)SC1=S 727176087 GGMFWGVFULXHEB-YBEGLDIGSA-N 441.018 4.290 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)c1 728176068 MQRHKPNJEXAJEM-IUXPMGMMSA-N 425.466 4.115 10 20 IICD Cc1nc(-c2cccs2)c(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 728301545 GCRHOSFDBOPSRC-UHFFFAOYSA-N 427.595 4.218 10 20 IICD CCSc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 728958720 BSKUANMDEWPSRL-FXAWDEMLSA-N 440.613 4.061 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 729575063 FPNMZSHQSUXCPO-UHFFFAOYSA-N 426.517 4.192 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3ccc(SC)c(OC)c3)CC2)cc1 731674863 FUWYWPBCEXLFML-UHFFFAOYSA-N 432.611 4.008 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)ccc21 732881695 IDAWJZCNGKGDLV-UHFFFAOYSA-N 429.586 4.104 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cccc(Oc4ccncc4)c3)cc2F)CC1 732959433 AAFZRDLGFQMPEY-UHFFFAOYSA-N 434.515 4.085 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)c(C)n1-c1ccc(C(C)C)cc1 734178940 XAAAFBILNNQFFS-JOCHJYFZSA-N 446.551 4.224 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1ccc(N2CCCC2)cc1 737037025 JVDWAIXEZCBMGL-UHFFFAOYSA-N 437.544 4.408 10 20 IICD COc1ccccc1[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCCCC1 740916741 BHCQTNPGJRDUNJ-DEOSSOPVSA-N 434.584 4.098 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 743220863 NYCQSVRUFTWDGH-UHFFFAOYSA-N 447.539 4.500 10 20 IICD Cc1oc2c(CN3CCNC(=O)[C@@H]3c3cccs3)c(O)ccc2c(=O)c1-c1ccccc1 743384589 RUEROSZWYIOUEI-QFIPXVFZSA-N 446.528 4.209 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C 747436572 GLIMJLBEOJVRSU-UHFFFAOYSA-N 440.931 4.218 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 747594321 ORQCPSAKQUWOHA-UHFFFAOYSA-N 446.979 4.283 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 750984993 UKVNTEMXFIKFKL-FGZHOGPDSA-N 429.630 4.141 10 20 IICD CCC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1F 758710015 LTAFVBFJWBVDNS-VGOFRKELSA-N 444.526 4.007 10 20 IICD C[C@@H]1CCCN(Cc2ccccc2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 761001610 DJEKRQOZOVHNCQ-QGZVFWFLSA-N 441.959 4.242 10 20 IICD CCc1ccc(-c2noc([C@@H](C)N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)n2)cc1 762207973 SWVSMKJUSMERAI-CYBMUJFWSA-N 440.887 4.183 10 20 IICD COc1ccc([C@H](CO)N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 764365989 RZGMQMSSFKUYSR-DEOSSOPVSA-N 425.573 4.339 10 20 IICD CCOc1cc(CN2CCCc3cc(OC(F)F)ccc32)nc2nc(C(F)(F)F)nn12 766861020 SKOXWYQERPEDKQ-UHFFFAOYSA-N 443.376 4.096 10 20 IICD Cc1cn(-c2ccccc2Cl)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 767095277 SMEVRHPPPIEVRO-SFHVURJKSA-N 425.916 4.361 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1 768911572 RBXUFRQGMJFJMG-OAHLLOKOSA-N 426.542 4.074 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CCC3CCCC3)cc2)C1 769037862 OQPISZQZUHCYPP-GGAORHGYSA-N 426.605 4.033 10 20 IICD O=C(COc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2)Nc1ccccc1F 769561912 GIERGYQNLOSEHG-UHFFFAOYSA-N 448.494 4.358 10 20 IICD O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 771008962 OXMDIEDOYKIEMG-HSZRJFAPSA-N 430.504 4.211 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2ccccc2)nc1O 771056863 HVGKSIXUUIAMKB-IBGZPJMESA-N 437.927 4.208 10 20 IICD C[C@@H](NC(=O)c1cnc(Cc2ccccc2F)s1)c1ccc(N2CCOCC2)cc1 771951328 HSPPRMRALWYTEE-MRXNPFEDSA-N 425.529 4.201 10 20 IICD C[C@@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1 775728986 PHKOGBOMPYBWDL-IERDGZPVSA-N 429.948 4.451 10 20 IICD CC[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccn1 776895823 GKKRJFKDQJZREO-KURKYZTESA-N 444.551 4.011 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C1 777734321 BHRBOJOHLZZDHN-KRWDZBQOSA-N 441.988 4.096 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 784026678 XZOFSVFALNVPTI-UHFFFAOYSA-N 429.948 4.413 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(CCN3CCCC3)cc2)C2CCCCC2)cc1 784058121 LLCZJMFFCAICFL-UHFFFAOYSA-N 434.584 4.212 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2CCc3c2cccc3C(F)(F)F)cc1 784114587 YRRQGIOOTPTZOB-UHFFFAOYSA-N 431.458 4.400 10 20 IICD COc1cc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(O)c(C(C)(C)C)c1 786104860 DBQKGCOEEKZECK-UHFFFAOYSA-N 444.523 4.281 10 20 IICD COc1ccccc1CC(=O)N1CCC(N[C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 788584689 PKOXFQRIERSDTO-HNNXBMFYSA-N 436.474 4.304 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCc1ccc(OC)cc1 791250527 RKEZOJKBVSSTTL-UHFFFAOYSA-N 426.557 4.407 10 20 IICD CN(C)c1ccc(CNc2cccc(Cn3nc4ccccn4c3=O)c2)c(C(F)(F)F)c1 792863225 KRZVWWWJBGAPGZ-UHFFFAOYSA-N 441.457 4.241 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 793956099 QNZKXHQGVKHDBT-UHFFFAOYSA-N 431.945 4.100 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H](CCSC)c1nnc2ccccn12 801969439 KGBKYFQZEFYRLT-GOSISDBHSA-N 427.574 4.241 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(I)c2)c1 806683194 BHDIMLWPMHKRBE-NSHDSACASA-N 426.254 4.197 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc(-c2cccs2)cs1 807511802 VXBAQEHZHKIHRD-UHFFFAOYSA-N 428.322 4.139 10 20 IICD Cc1cc(C(=O)Cn2nc(C3CC3)ccc2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 810011644 YOLLGZGESVMNME-UHFFFAOYSA-N 431.414 4.310 10 20 IICD COc1cc(F)c(F)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 810271594 XENOHQGDDOPEMB-UHFFFAOYSA-N 445.388 4.151 10 20 IICD Cc1cnn([C@H]2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)c1 811636881 NLXZKXGVPMXCHU-FCHUYYIVSA-N 428.496 4.186 10 20 IICD O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NC(=O)NC1CCCC1 814772249 RJDNJILHMIPKMR-CXUHLZMHSA-N 445.591 4.373 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(C(=O)NCC(C)C)CC3)c2C)cc1F 890935155 GEONVDFDSHTYBF-UHFFFAOYSA-N 427.564 4.209 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 914456076 NMYBVVLGTZFHDX-XMMPIXPASA-N 447.535 4.306 10 20 IICD CCCCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916677696 FZWPNTAATLEJOM-UHFFFAOYSA-N 431.508 4.172 10 20 IICD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 916713811 VQDBZWNRUKJHMB-UHFFFAOYSA-N 448.523 4.100 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 917393573 RNSMKEUMUBISMA-IYBDPMFKSA-N 430.599 4.474 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 918444703 ZROZXEMXUDYTKM-UHFFFAOYSA-N 431.517 4.190 10 20 IICD CN(C)C(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 920206376 SWLSXNHPTHEFPS-JOCHJYFZSA-N 443.507 4.376 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n(C(C)(C)C)n1 920937964 FIOQRMADHLFDDE-UHFFFAOYSA-N 439.482 4.124 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)C2CC2)cc1 921127759 YGZQTMQDSNFWHH-NRFANRHFSA-N 430.593 4.216 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(=O)n(C)c3ccccc23)c(C)n1-c1cccc(F)c1 1317944939 MTFRQXKRTUOCQO-UHFFFAOYSA-N 432.451 4.125 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCO3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790774738 QLFGJRASKITDQY-IBGZPJMESA-N 444.915 4.068 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cncc(F)c2)C3)cc1 1800513507 MIANICNPEDYTQK-VILGAWFOSA-N 446.526 4.194 10 20 IICD COc1ccc(-c2noc(CCC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)n2)cc1 10341527 QRROHWOMXKSTAX-UHFFFAOYSA-N 444.535 4.444 10 20 IICD Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 108418432 LARLTZYAPCVGDA-HNNXBMFYSA-N 445.972 4.228 10 20 IICD CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1cccc(Cl)c1 110475623 POZPGAISDLNOSG-UHFFFAOYSA-N 438.959 4.496 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCc1cccc(Cl)c1 302107175 GEAKVKNFLAOLBH-UHFFFAOYSA-N 443.956 4.403 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Oc4ncccc4F)CC3)ccc21 470456966 WANGLDSJBZVWBR-UHFFFAOYSA-N 425.504 4.122 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4cc(CN5CCOCC5)ccc4[N+](=O)[O-])CC3)c2c1 472370029 OZSSNBWDIVGCCN-UHFFFAOYSA-N 448.523 4.211 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(-c4c(F)cccc4F)n3)CC2)cc1 726562467 KSZIITTTXTWODR-UHFFFAOYSA-N 429.492 4.496 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1N1CCCCC1 726567025 BEKNUNRMRBYWJN-UHFFFAOYSA-N 430.499 4.072 10 20 IICD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 727164539 OYUIGDRPNQLQHZ-ZDUSSCGKSA-N 441.330 4.177 10 20 IICD CC(C)Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)cc1 727248577 IGRCJQNDIGGEFA-UHFFFAOYSA-N 428.535 4.480 10 20 IICD C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 728839671 VPJQNWWDORUESS-UHFFFAOYSA-N 431.458 4.160 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 729034772 QBDVPZDOMXRIDE-KRWDZBQOSA-N 433.508 4.256 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1OCc1ccccc1 730770106 QYUDIDCECSHGIB-UHFFFAOYSA-N 446.547 4.140 10 20 IICD Cc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n2)cc1F 731856388 NBQJDHWPPWAKKB-LJQANCHMSA-N 439.487 4.030 10 20 IICD Cc1cc(C(=O)NCCCOCC2CCOCC2)c(C)n1-c1ccc(Br)cc1 740841065 KYKCXAWYFBVXBW-UHFFFAOYSA-N 449.389 4.420 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 742111784 AKHUZSZGNRWNPV-QUCCMNQESA-N 426.561 4.302 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(CO)o2)c(C)n1-c1ccc(OC(F)F)cc1 745384551 NHYRMZLRLUXWDF-AWEZNQCLSA-N 433.407 4.209 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 745813683 PMVYJZCDDYEIBU-MRXNPFEDSA-N 434.378 4.207 10 20 IICD COc1ccc(Br)c(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c1 747698513 KYBYAUUXVOYBNZ-WJDWOHSUSA-N 435.368 4.297 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)o1 748091840 MTNNJFOJFPQCPP-UHFFFAOYSA-N 436.511 4.088 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(C(N)=O)cn4)n3)c2C)cc1 748830959 LEJNIIWSBDZKNK-UHFFFAOYSA-N 431.521 4.272 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2c(Cl)cccc2C1 751068079 RLTBFSWSRQGNBZ-UHFFFAOYSA-N 448.953 4.106 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3SCc3cc(C)no3)CC2)cc1F 753738428 JZMLCFBBTMZKGG-UHFFFAOYSA-N 441.528 4.385 10 20 IICD COc1ccc(N2CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)cc1F 753858507 UUENLJCHPCVOKJ-UHFFFAOYSA-N 431.508 4.331 10 20 IICD COc1cc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)ccc1OCCO 756441357 LAXJPIGUIDMBJV-LLVKDONJSA-N 430.726 4.039 10 20 IICD COC(=O)CCSc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 756481384 JIKORACCCXTCDC-UHFFFAOYSA-N 443.569 4.141 10 20 IICD COc1ccc(O)c([C@H](C)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 756608740 LLUNAYYAHPCNTC-NPMXOYFQSA-N 429.513 4.384 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)cc1 758414660 CSIXCDZEJLXBML-RGEXLXHISA-N 425.579 4.134 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1[N+](=O)[O-] 759156861 DYBHBZJKKAIYGR-UHFFFAOYSA-N 431.451 4.274 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)cc(OC)c1OC 760103449 GERAIAKTKAHXPF-QFIPXVFZSA-N 445.535 4.080 10 20 IICD CC(C)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 762044018 PUDCDOSFEKPQHI-OAHLLOKOSA-N 442.471 4.164 10 20 IICD CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 765106816 RWUVVAHBDNGARH-IBGZPJMESA-N 441.597 4.455 10 20 IICD CN(C)c1nc2cc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc2o1 766162706 QJMLCPGFGLKQDW-UHFFFAOYSA-N 445.470 4.286 10 20 IICD O=C(CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)OCc1ccccc1 766572759 JIQNCXPGSGZRCQ-UHFFFAOYSA-N 430.464 4.290 10 20 IICD O=C(NCCCSc1nccs1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 767096689 MBYYIXIPLPENCN-PMACEKPBSA-N 430.643 4.321 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl 769560655 XRXOHLTZXTXQBM-UHFFFAOYSA-N 442.972 4.222 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)nc1-c1ccccc1 775207125 HDDAVSCDUNTHNQ-UHFFFAOYSA-N 443.550 4.408 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc21 775600760 MWOZUZFOEPSIIB-SFHVURJKSA-N 435.572 4.458 10 20 IICD CCCCC[C@@H](CC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775669176 GZFFADRQRVSUCC-HXUWFJFHSA-N 427.568 4.165 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2)cc1 779020016 ORIQFLBDRTXHMG-ZEQKJWHPSA-N 429.564 4.276 10 20 IICD COC(=O)c1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)c(OC)c1 779159131 YDUPQJUERPNYKO-UHFFFAOYSA-N 429.473 4.001 10 20 IICD CCOC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 782896574 RFCFSBDUUHXRDI-UHFFFAOYSA-N 439.512 4.261 10 20 IICD CC(C)(C)OC(=O)NCc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 786788580 GUGTUEAVPZHWCJ-UHFFFAOYSA-N 441.597 4.195 10 20 IICD CN(C)c1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)c(C(F)(F)F)c1 792800714 ZSJDSBARGNNKMU-UHFFFAOYSA-N 439.547 4.404 10 20 IICD CCN(CC)c1ccc(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1 794798352 VRNIZGDVGFPWMS-CYBMUJFWSA-N 430.401 4.338 10 20 IICD CO[C@@H](C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1)c1cnn(C)c1 798353481 AVWMZWISSAEGJB-HXUWFJFHSA-N 439.516 4.416 10 20 IICD CC(C)c1ccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 806007208 BSOCSDTUHCGKDN-SFHVURJKSA-N 443.563 4.177 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1Cl 806845410 MQDRQZTVYYDOQX-XMSQKQJNSA-N 444.959 4.067 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 806846731 VQYMPLHMUCQXHK-QHCPKHFHSA-N 445.485 4.283 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 807513007 OIYPMVWHAUBCJO-UHFFFAOYSA-N 426.058 4.400 10 20 IICD Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)C2 808077483 RHGUPFKEZXTRGK-NRFANRHFSA-N 434.584 4.002 10 20 IICD OC[C@@]1(c2ccccc2)CCN(Cc2cc(Br)cc(Br)c2O)C1 812781268 NUPSWXCZIDFSBE-GOSISDBHSA-N 441.163 4.053 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] 814116605 HFWNXDFAMNWXGP-HNNXBMFYSA-N 433.455 4.259 10 20 IICD CN(CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1cccs1 914958023 GISYMAAWJHKDCR-UHFFFAOYSA-N 436.493 4.417 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 917309644 GJKGIEIWZXKSDY-UHFFFAOYSA-N 448.903 4.258 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2cccc(Br)c2)c1C 917707113 MCAWUIGNCANFOW-UHFFFAOYSA-N 442.361 4.067 10 20 IICD CCCOc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918205919 XCEJVVQBOZIPQF-HDICACEKSA-N 429.536 4.228 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971017 DWRGYJXCYXZOFP-UHFFFAOYSA-N 427.545 4.186 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)CC1 920473788 XIKFVIQYEZUCBB-LDADJPATSA-N 429.523 4.150 10 20 IICD C[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(N2CCOCC2)cc1 920882037 KYCWPZGHRDPAOL-MRXNPFEDSA-N 444.457 4.219 10 20 IICD C[C@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cc(Br)ccc1O 1320252403 FIDAFTWTDKPETL-NSHDSACASA-N 431.252 4.254 10 20 IICD CCOCc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 1322174417 JNQANKZLBDMLMW-UHFFFAOYSA-N 430.416 4.159 10 20 IICD CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1322844863 IVEQGSMUSBRDJW-UHFFFAOYSA-N 441.915 4.377 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 301685295 MPDWTVLVVABIOB-HXUWFJFHSA-N 435.568 4.086 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2csc(-c3cccnc3)n2)cc1 302645454 CHRZXPBNCOBZPT-JOCHJYFZSA-N 436.581 4.021 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 303327855 SKWQUQQHGYNXCY-KRWDZBQOSA-N 434.627 4.076 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)ccc21 486977458 PANODQCOZVGJAA-UHFFFAOYSA-N 448.567 4.331 10 20 IICD C[C@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 726191097 UXCCRYLGRHIDQW-IBGZPJMESA-N 425.573 4.399 10 20 IICD Cc1nn(-c2ccccc2)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567282 ONQOMVWJIDMOPK-UHFFFAOYSA-N 426.467 4.181 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 727946721 MZQMFTMIEZTWKU-LJQANCHMSA-N 436.600 4.100 10 20 IICD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731048365 KPAQPDAMLMANCZ-HXUWFJFHSA-N 436.600 4.451 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 732909672 DZJCLJRNQPVHAS-UHFFFAOYSA-N 437.930 4.231 10 20 IICD COc1cc(OC)c(C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)c(OC)c1 734684928 BRPIJIVIDFAJKU-UHFFFAOYSA-N 441.572 4.176 10 20 IICD CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 739661143 PTYWPCIYZWWKKW-FQEVSTJZSA-N 443.459 4.379 10 20 IICD COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)c1 739926183 JAOXUIOIZLNYPY-MRXNPFEDSA-N 442.487 4.329 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)c(C)c1 741137568 WNQWJCCHCPJXFE-UHFFFAOYSA-N 429.523 4.184 10 20 IICD CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cs1 742416131 MQZRQZVEVGMFJX-UHFFFAOYSA-N 428.602 4.365 10 20 IICD Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1-c1cccc2cnccc12 743432272 GWXGRLJCEOJYMK-UHFFFAOYSA-N 439.475 4.265 10 20 IICD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 745691743 MZBHAYUYTZLAON-PZUNEJSGSA-N 448.611 4.174 10 20 IICD CCCOCCOC(=O)c1ccnc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c1 747821772 QRVIXFNERRFRMA-UHFFFAOYSA-N 435.524 4.449 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cccc(CSc2ccccn2)c1 749731850 ZOPYSURJBGRJOC-UHFFFAOYSA-N 444.607 4.068 10 20 IICD CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@@H]1NC(=O)OC(C)(C)C 757375804 UWBHYIRFVBNMSB-ICSRJNTNSA-N 426.561 4.255 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1OCc1noc(C)n1 761752519 YBBLVUMYSNNVJQ-UHFFFAOYSA-N 446.301 4.087 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCCCSc1nccs1 762759411 JWNUANJRPVHELV-YESZJQIVSA-N 427.636 4.020 10 20 IICD O=C(Nc1ccc(Br)nc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766170284 WFDFUGBTTBUVIN-CYBMUJFWSA-N 441.276 4.236 10 20 IICD CCCOc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 769297609 DVZGAQAYAFETCL-UHFFFAOYSA-N 430.416 4.411 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2Oc2ccccc2Cl)c1 769639533 ZXNQFJPXYAJLSM-UHFFFAOYSA-N 432.885 4.462 10 20 IICD Cc1nc(NCC(=O)NCc2ccc(N(C)C)cc2)c2cc(-c3ccccc3)sc2n1 770747281 FDELILKSSUGJGA-UHFFFAOYSA-N 431.565 4.461 10 20 IICD COc1cc(CN(C)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 771934824 AKXGXJRURZQKPW-UHFFFAOYSA-N 427.423 4.243 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2C)cc1 775140274 TUEXAHYADCBCHT-UHFFFAOYSA-N 446.476 4.077 10 20 IICD Fc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CCC2 776159438 WQEYCYFCHZWUPR-QHCPKHFHSA-N 435.522 4.249 10 20 IICD CC(C)[C@@H]1C[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782000867 JSEWZIXDPQHUQM-QIJUGHKUSA-N 447.620 4.276 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 784025103 YDEGGXNYMBVFJM-UHFFFAOYSA-N 449.576 4.394 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C2CCCCC2)cc1 784061648 RNHQHVJVDAGZNK-UHFFFAOYSA-N 434.309 4.475 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(Br)c(F)cc1F 786161323 TWMVVIACCVGJPE-UHFFFAOYSA-N 444.251 4.025 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2c(C)cc(C)cc2O)c1 788775288 HKIYPHXQBQMFEU-HNNXBMFYSA-N 435.362 4.251 10 20 IICD COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1C 789728754 WMUSGOUSDKBRRT-UHFFFAOYSA-N 428.539 4.181 10 20 IICD CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCc2ccc(N(CC)CC)c(F)c2)n1 790317074 DJYSJDMPTCEMCX-LJQANCHMSA-N 448.564 4.352 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3scnc3COC)c2C)cc1 792741801 WBWNBLKTEKXTFJ-UHFFFAOYSA-N 428.510 4.135 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nncn2C(C)C)c(C)n1-c1ccc(OC(F)F)cc1 795640920 TVGNSCZZISHWTG-UHFFFAOYSA-N 431.487 4.183 10 20 IICD COc1cccc2c1CCC[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 799714645 AHTWTFLQGGDRKJ-QHCPKHFHSA-N 447.558 4.118 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c([N+](=O)[O-])cc1OC 800048891 JOLQZTCOLPPOAD-CQSZACIVSA-N 447.919 4.432 10 20 IICD CCC(C)(C)C1CCC(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 801136581 NHQKYLYKKNOGKG-UHFFFAOYSA-N 434.646 4.170 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 801616449 FEOCOWGBHMJFMB-UHFFFAOYSA-N 445.523 4.084 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 802549562 QKHHJUPNKZCDSC-FDDCHVKYSA-N 435.572 4.003 10 20 IICD COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2=O)cc1O 804188875 SKGPKZAYNNKASO-SZNDQCEHSA-N 443.931 4.084 10 20 IICD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)NCCCSc1nccs1 806275888 YRVHLAOHDDNYEB-KGLIPLIRSA-N 426.007 4.046 10 20 IICD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)sc2C1 806886043 KTBCAXJFGMTOIU-KBPBESRZSA-N 445.585 4.214 10 20 IICD Cc1ccc(SC[C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807688681 MMNZKEOHOTZQFI-SFHVURJKSA-N 438.549 4.119 10 20 IICD CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 807839587 IBBJPGWRBXSHES-UHFFFAOYSA-N 426.300 4.049 10 20 IICD CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807952954 RRBMWMIETUHPGA-UWJYYQICSA-N 442.991 4.197 10 20 IICD O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809196454 UDBWDFJGGDCPRB-NQIIRXRSSA-N 436.483 4.106 10 20 IICD C[C@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1O 815594632 UYFGSQSXLYIGMV-KRWDZBQOSA-N 435.490 4.191 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1 893871205 LHTOWPDMIXSANM-UHFFFAOYSA-N 425.554 4.000 10 20 IICD CN(C)c1ccc(CN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C2CC2)cc1 914485742 YLTMOKSWSXOTRU-UHFFFAOYSA-N 438.549 4.124 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccccc2Br)n1 915222362 BCQHPZWKERZZOY-UHFFFAOYSA-N 425.329 4.382 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 915315854 MHVINXIDNYWMJT-UHFFFAOYSA-N 444.601 4.028 10 20 IICD Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916835181 ISAAVIAREJAMIG-KRWDZBQOSA-N 435.490 4.357 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)s2)cc1 917821619 CAGDFZMRVCRBFS-UHFFFAOYSA-N 437.565 4.488 10 20 IICD O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293953 KGJGYEVAWNIJIZ-UHFFFAOYSA-N 431.448 4.171 10 20 IICD C[C@@H](NC(=O)Nc1cccnc1OCc1ccccc1)c1ccc(N2CCOCC2)cc1 920872142 PZWOXDHWBHOXPM-LJQANCHMSA-N 432.524 4.380 10 20 IICD Cc1cc(-c2nnc(Cc3csc(N4CCOCC4)n3)o2)c(C)n1-c1ccc(F)cc1 1117208628 CYUVDVVNGXUCJH-UHFFFAOYSA-N 439.516 4.167 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c1 1252104740 KSEIQSKIICBMDN-UHFFFAOYSA-N 449.935 4.389 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 1320507779 MPMPQUDDRKNDPI-UHFFFAOYSA-N 427.504 4.042 10 20 IICD CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S 23855220 ZSOAKTKLQIZMMA-UHFFFAOYSA-N 429.615 4.089 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 27157038 RSVRLZNFZRHIBA-UHFFFAOYSA-N 432.568 4.052 10 20 IICD Cc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)s2)c(C)c1 116174937 YRXLQXDWNCKNPF-LJQANCHMSA-N 448.592 4.059 10 20 IICD CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 236742153 ONHOEKRYBZLHKU-QGZVFWFLSA-N 425.520 4.246 10 20 IICD COc1ccc(-c2n[nH]cc2CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 237380548 WQHZYGREXPOOBP-GOSISDBHSA-N 428.483 4.445 10 20 IICD C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Br)cc1 302833597 PNWUYEJGVLAZJL-OXQOHEQNSA-N 447.373 4.013 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1F 303383277 WOJOLODIZBYIQT-UHFFFAOYSA-N 429.540 4.201 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cncc(Br)c1 391922119 UQZUAIFAOCRLOY-UHFFFAOYSA-N 432.271 4.047 10 20 IICD C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 725869106 RSFHETNGRQICFI-CQSZACIVSA-N 440.346 4.400 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nnc(C)n4c3)c2C)c1 726813588 FDUNFKBPOOGMBG-UHFFFAOYSA-N 434.521 4.207 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c1 729063260 IHADMXPVHDHJRZ-INIZCTEOSA-N 435.480 4.021 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NCc3ccc(OC(C)(C)C)cc3)cc2F)CC1 730121968 FVWKDNQTWLMHKZ-UHFFFAOYSA-N 442.579 4.144 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2)cc1 730899385 DHFAMNAOMIHNON-NRFANRHFSA-N 443.519 4.136 10 20 IICD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731015358 PZSUWWYMPMIRGA-DEOSSOPVSA-N 449.595 4.243 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1F 731403722 TWZITFFTZRUGNK-KRWDZBQOSA-N 426.536 4.359 10 20 IICD Cc1cc(C(=O)CN2CCC(n3ccnc3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 732204154 DSBRSEFCINNLCB-UHFFFAOYSA-N 428.483 4.412 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 732887165 XMDBFNNSJZYTEA-JOCHJYFZSA-N 447.539 4.010 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1cccc(Br)c1 733840142 YABIQHLCIYLKPH-YVWKXTFCSA-N 432.314 4.150 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC1Cc2ccccc2C1 735258580 IWCOOEDOEJWMDV-CPNJWEJPSA-N 442.631 4.261 10 20 IICD O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccc(N2CCC(CO)CC2)cc1 735827791 CJJWQCWOBXTGLW-UHFFFAOYSA-N 439.556 4.017 10 20 IICD Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 738987934 ZZPXLLJTXOEYBK-UNMCSNQZSA-N 438.572 4.117 10 20 IICD CC(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 742907149 JXMZTEQRMHFYCO-QZFKAFNDSA-N 440.681 4.330 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(Oc2cnccn2)c1 743809349 QLINLHXFZHGHJT-UHFFFAOYSA-N 428.286 4.399 10 20 IICD CCc1ncncc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 744801490 HVCZYMUYPSHNSR-HNNXBMFYSA-N 443.450 4.476 10 20 IICD O=C(COC(=O)c1cccc(F)c1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 745655028 MMRWQUCMPCBDJN-UHFFFAOYSA-N 437.810 4.050 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745903922 KASFJBNNDPBAAN-HUUCEWRRSA-N 435.471 4.031 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 750659002 AKIGLGHHOXGTKD-VWLOTQADSA-N 448.611 4.052 10 20 IICD O=C(NCC1([C@@H](O)c2ccccc2)CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680482 HCKNPCWRCHPZSX-RXVVDRJESA-N 445.510 4.070 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(OC[C@H]2CCCO2)c1 754549171 UXPPCNAUVFVTFL-LJQANCHMSA-N 427.456 4.272 10 20 IICD C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)cc(F)c1O 756796814 NUGMAJMDNVENLJ-NSHDSACASA-N 429.311 4.007 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H](C)CCCc3ccccc3)CC2)cc(OC)c1OC 759220036 GAVKQATYLSLPNI-IBGZPJMESA-N 426.557 4.020 10 20 IICD C[C@@H](c1nc2ccccc2n1C(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 760977634 QUIWGDFGTTUOMB-NSHDSACASA-N 434.830 4.316 10 20 IICD Cc1ccc([C@H]2OCCC[C@@H]2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761360366 KJCFHBSPJGOYIZ-VGOFRKELSA-N 428.916 4.286 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1)CC1(O)CCCC1 762273604 VRLIPRMNRBIMOK-UHFFFAOYSA-N 439.625 4.257 10 20 IICD Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 764865605 ZASGGCLSNNDHFQ-DEOSSOPVSA-N 426.601 4.001 10 20 IICD C[C@@H](CC(=O)N(C)c1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 765076427 PJOFSESXDKMXNB-KRWDZBQOSA-N 435.490 4.073 10 20 IICD O=C(Cc1c[nH]c2cccc(Br)c12)NCc1cccc(Br)c1O 765728734 MBASTCWIVGVJAM-UHFFFAOYSA-N 438.119 4.257 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@]3(C)NC(=O)OC(C)(C)C)CC2)cc1 765761057 QRORLQCDRDSRBH-BWKNWUBXSA-N 445.604 4.254 10 20 IICD COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)c1 768251764 JJZQZYOXUUTHTB-UHFFFAOYSA-N 432.520 4.034 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2F)C[C@@H](C)O1 769032379 GQAGFQWIZREEBX-GGPKGHCWSA-N 433.568 4.120 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 769126491 NGEOODGPNPQZGP-QZTJIDSGSA-N 437.531 4.438 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)c1 769762288 BAXVYQKEORSDJK-UHFFFAOYSA-N 434.876 4.476 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 770635465 CTMQSJVOHYVEDB-UHFFFAOYSA-N 438.615 4.391 10 20 IICD O=C(Nc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1)c1cccs1 771833089 FZFMAGDTDHZXHA-UHFFFAOYSA-N 441.896 4.328 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 772826903 HZQZQRWBRWAWLM-UHFFFAOYSA-N 441.534 4.088 10 20 IICD C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(N2CCOCC2)c(F)c1 773133088 QDDTXMVYEBJEGL-VWMXVWASSA-N 447.982 4.038 10 20 IICD C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(N(C)C)cc1 773994568 OAEOULDZDJQZHG-SFHVURJKSA-N 437.565 4.069 10 20 IICD C[C@H](NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccc(N(C)C)cc1 776249578 QACMUPLANFEXAC-IBGZPJMESA-N 449.624 4.465 10 20 IICD O=C(NCc1ccc(Cl)cc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 777458948 MCGGULCUWOUVHS-UHFFFAOYSA-N 445.844 4.334 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC3 779420054 YFYRNHVDRUESHU-UXHICEINSA-N 433.552 4.430 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnc1N1CCCC[C@@H]1C 780655365 IJCJURUUTUXNJU-FQEVSTJZSA-N 437.588 4.269 10 20 IICD CN(C)CCc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 782901845 CFOWXJSLWWLXAT-SFHVURJKSA-N 432.515 4.183 10 20 IICD COCCOc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783483222 PIOAZSKQZJAXDL-GOSISDBHSA-N 433.508 4.027 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)CCC4)C2=O)cn1 790107365 GPOPJQHFJMXKTD-UNOMPAQXSA-N 425.579 4.059 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)ccc21 791169172 VNQXNWJAIWJAOJ-UHFFFAOYSA-N 425.504 4.122 10 20 IICD CN(C)c1ccc(CNCc2csc(CNC(=O)c3ccccc3)n2)c(C(F)(F)F)c1 793008986 PKHBWJGNKWAUES-UHFFFAOYSA-N 448.514 4.448 10 20 IICD COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1O 797604471 GSZHVRFCGXZHDK-JOCQHMNTSA-N 425.254 4.246 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(F)c(Br)c1 797735956 FBDWXBCIYBYMKD-UHFFFAOYSA-N 431.645 4.066 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(O)(C(F)(F)F)CC3)cc2Cl)C1 800719114 GZSNSWKJXOKROI-AWEZNQCLSA-N 433.902 4.175 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 801550683 BEALVINBIBRORM-VXKWHMMOSA-N 447.535 4.113 10 20 IICD COC(=O)c1c(NC(=O)c2cn(C)nn2)sc(C)c1-c1ccc(Cl)cc1Cl 808182915 PGFSIGKVTOZOAQ-UHFFFAOYSA-N 425.297 4.198 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 809986976 QWUKQDOYLGEGNJ-FCHUYYIVSA-N 429.605 4.384 10 20 IICD CC(C)(CO)[C@H](NCc1cc(Br)cc(Br)c1O)c1cccnc1 816637552 HRCJLKOMSMDQDE-MRXNPFEDSA-N 444.167 4.162 10 20 IICD CCn1c(O)nnc1S[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 844262045 PTGCSMGGMQEYLO-CYBMUJFWSA-N 436.484 4.376 10 20 IICD CC(=O)OCCN(C)c1ccc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1 912757774 UFHCPDPGONQKDI-UYRXBGFRSA-N 432.398 4.049 10 20 IICD Cc1cc(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 915297738 XZRSQXFPLALLOU-UHFFFAOYSA-N 430.957 4.010 10 20 IICD O=C(NCCOc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCSCC2)cc1 918214452 XYULNQIBLQKAIF-UHFFFAOYSA-N 439.503 4.137 10 20 IICD COC(=O)CC1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 918709640 FPWGMKAOMVVPST-UHFFFAOYSA-N 433.346 4.272 10 20 IICD CN1CCN(c2ccc(CN[C@H]3CSc4ccc(Br)cc43)cc2F)CC1 1116826720 SODAQRVVAZCIOO-SFHVURJKSA-N 436.394 4.277 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 1337534947 OEEQXXKNODCJKG-UHFFFAOYSA-N 444.984 4.482 10 20 IICD CCOc1cc(Br)c(CC(=O)NCc2ccc(N(C)C)cc2)cc1OCC 18215339 GODFICJJROLHJP-UHFFFAOYSA-N 435.362 4.171 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 18218507 PPVHQHXGZCRYEO-UHFFFAOYSA-N 430.504 4.192 10 20 IICD Cc1cc(Br)ccc1SCC(=O)NCc1ccc(N2CCOCC2)cc1 108804440 JPQVEGUDOQPPIR-UHFFFAOYSA-N 435.387 4.003 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OCCC(C)C 117528120 DWQPUYISYNHFGC-UHFFFAOYSA-N 430.520 4.026 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)cc1)C1=S=CC=C1 545673338 XHXFIEYPIWBGAL-UHFFFAOYSA-N 425.473 4.077 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 725870814 SEZDRPMAWLDINS-OAQYLSRUSA-N 429.536 4.136 10 20 IICD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@H]1Cc2ccccc2O1 728021987 LUGOVDLQEQPFPY-JOCHJYFZSA-N 429.384 4.277 10 20 IICD CCCC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)cc1 728597882 VJIXKBOXJBXCJB-JOCHJYFZSA-N 429.536 4.402 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 728985046 VEXZXQMOFFMVRX-OWCLPIDISA-N 427.501 4.282 10 20 IICD Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731053472 RGFGSJAIOMJPGR-UHFFFAOYSA-N 449.624 4.485 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 731284500 XKKUJGPKORYNAA-NRFANRHFSA-N 431.964 4.041 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCOc2ccc(F)cc21 731760002 ZINKNXJPDNDHOX-LJQANCHMSA-N 435.446 4.219 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 732250154 XNUDLXKCQSBNAY-PBHICJAKSA-N 435.927 4.218 10 20 IICD CC(C)C[C@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 732468257 JAZCVXVZIKVNKN-SIKLNZKXSA-N 441.572 4.491 10 20 IICD CN(C)c1ccc(CNc2cc(-c3ccc(Br)cc3)nn2CCO)cc1F 733327049 MDUGPQLCHKJCEP-UHFFFAOYSA-N 433.325 4.122 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CSc2ccccc21 735511311 XGSKICSEFYASEP-GOSISDBHSA-N 437.487 4.188 10 20 IICD COc1cccc(CN(C(=O)NCc2ccc(N(C)C)cc2C)C2CCC(O)CC2)c1 737046399 BRMDBEUMVJAJSU-UHFFFAOYSA-N 425.573 4.085 10 20 IICD C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1F 742755456 XHVMULYDSMPJRE-IERDGZPVSA-N 429.536 4.377 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@]12CCc1ccccc12 743312285 OEBPCBRJICXTQK-FYYLOGMGSA-N 430.470 4.062 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)Oc3ccccc3Cl)cc2F)C[C@@H](C)O1 743554997 NYRCPZYBSPFSLB-ZACQAIPSSA-N 449.954 4.359 10 20 IICD COc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc(Br)c1OC 743577873 KRDDIDNOJYDCGZ-UHFFFAOYSA-N 449.345 4.050 10 20 IICD Cc1csc([C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C2CC2)n1 745801135 WMQOGPBMBJYPQH-GOSISDBHSA-N 436.528 4.472 10 20 IICD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)NCc2ccccc2O)cc1 746033871 MWSVPKNIVYRTFB-UHFFFAOYSA-N 426.494 4.300 10 20 IICD Cc1cc(C(=O)N2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccc(Br)cc1 748586222 TVDWRTSLDRDXOE-FQEVSTJZSA-N 447.373 4.267 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC(C2CCCC2)CC1 751069191 CZRPLSDPUXHQTP-UHFFFAOYSA-N 434.583 4.297 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3c(F)cc(F)cc3Br)CC2)cc1F 753064153 XUWPGYPDJDDUFT-UHFFFAOYSA-N 444.251 4.229 10 20 IICD C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F 755201291 FTCVKRSTLXPZPY-UZLBHIALSA-N 429.492 4.111 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(F)cc(F)c1O 756661266 ZWVISDQOXXFQIB-ZDUSSCGKSA-N 436.455 4.461 10 20 IICD O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 757272262 HCXGPZUKENYACJ-HSZRJFAPSA-N 449.595 4.470 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 759614176 WZTPNFBKIJSORS-DOTOQJQBSA-N 435.362 4.241 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-c2nnc(S)o2)cc1 759747424 NLGAPHPXVNIQSE-UHFFFAOYSA-N 446.479 4.026 10 20 IICD C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc(O)c1 760606226 KYEUZHYHZRLGTH-LVLBFHFTSA-N 432.592 4.313 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCSC2)sc(C)c1-c1ccccc1 762022988 IBDGCZXCUDTDSN-HNNXBMFYSA-N 433.551 4.135 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3ccccc3)c2C)cc1 763722055 GRBDMFGIMZTZAV-RCZVLFRGSA-N 434.536 4.067 10 20 IICD Cc1ccc(C)c(-n2ncc([C@H](C)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C)c1 765245448 PQLPNUSKCXUXKL-NZQKXSOJSA-N 445.611 4.350 10 20 IICD O=S(=O)(NC1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1)c1ccc(F)cc1 768265283 VRKKYRDKUWEEBQ-UHFFFAOYSA-N 440.540 4.141 10 20 IICD COc1cc(Br)cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1O 769538147 TUQAHZFVFXIAHV-QGZVFWFLSA-N 444.272 4.338 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3OC)SC2=S)cn1 773896281 DHGBFVKWGGMWRS-JYRVWZFOSA-N 437.340 4.267 10 20 IICD Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1S(=O)(=O)NC(C)(C)C 775636062 OHJSSRAREDYGST-MRXNPFEDSA-N 432.590 4.021 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3cc(SC)ccc3C)CC2)cc1 776027161 AUULKARDSFHRAU-UHFFFAOYSA-N 428.602 4.059 10 20 IICD Cc1noc(C2(C)CCN(Cc3cc(Br)cc(Br)c3O)CC2)n1 781530222 VLMPWCHCOZOSRG-UHFFFAOYSA-N 445.155 4.162 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1Br 782869025 AVRYXPANUJMKEV-INIZCTEOSA-N 433.346 4.272 10 20 IICD C[C@@H]1C[C@@H](CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1 784379882 NCERTVBRLKYBOL-SBMGLGDMSA-N 438.640 4.051 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1 790584861 YIOPTRNPNSUVSJ-UHFFFAOYSA-N 443.349 4.198 10 20 IICD COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1F 797736170 KOWPKDDVHOAGOM-UHFFFAOYSA-N 449.313 4.289 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)cc1F 802549979 FMFVBURPSWSDGE-UHFFFAOYSA-N 435.446 4.015 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3ccc4ncsc4c3)cc2)CC1 805022675 AJLSPGMRFIWXEM-QGZVFWFLSA-N 436.581 4.026 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nc(Sc4ccccc4)ns3)CC2)cc1 809882211 VVMCDCQJTQALRU-UHFFFAOYSA-N 441.582 4.442 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1nnn(-c2ccccc2F)c1C(F)(F)F 813683127 UJILZECMDBKVPC-UHFFFAOYSA-N 449.191 4.368 10 20 IICD Cc1nc(-c2c(C)noc2C)sc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 857475297 GYPHPUNNWGYOBM-QGZVFWFLSA-N 427.526 4.250 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc4cc(C)cnc34)n2)cc1 861536115 PSHHYBGMPJPZSQ-UHFFFAOYSA-N 438.534 4.426 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3Cl)cc2F)C[C@@H](C)O1 917168417 PCGDDFCUTQRNPN-OKILXGFUSA-N 441.330 4.441 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCc3ncc(-c4ccccc4)o3)cc2F)C[C@@H](C)O1 917711463 GOXCVBCKTSEXAU-QZTJIDSGSA-N 437.515 4.343 10 20 IICD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(Br)c1 918309212 DZUFRJZJBFGRQB-UHFFFAOYSA-N 444.373 4.345 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(OC(F)(F)F)c1 1318239788 AXLCASKBHALSPJ-UHFFFAOYSA-N 444.412 4.238 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncoc3[C@H]3CCCO3)c2C)cc1 1318544080 JXYODFYFTBZZHP-OAQYLSRUSA-N 438.480 4.372 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1)c1cc(O)nc(O)c1 1788427916 FMQOTNGKFPLQJS-UHFFFAOYSA-N 443.459 4.301 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3Br)sc2n1 28775738 MRBDIXQKTIOCTE-NSHDSACASA-N 448.342 4.442 10 20 IICD N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303057913 ZPZHODMMVNEAIF-UHFFFAOYSA-N 425.532 4.364 10 20 IICD Cc1c(CNC(=O)C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)n(C)c2ccccc12 673315271 MEGREJAANIUMBE-JOCHJYFZSA-N 432.568 4.060 10 20 IICD CN(Cc1ccccc1)C[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 726796457 ABVNDVWGGLJYMA-XZOQPEGZSA-N 437.609 4.314 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 727242155 UEGVJJNIWUBCNK-UHFFFAOYSA-N 432.907 4.252 10 20 IICD O=C1/C(=C\c2cc(Br)c3c(c2)OCO3)SC(=S)N1CCc1cccnc1 727864389 VCPNYSNMWZCWEL-OVCLIPMQSA-N 449.351 4.017 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)ccc21 728516917 RGOFSYONOSBUOZ-UHFFFAOYSA-N 437.609 4.388 10 20 IICD C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 729047712 NNLAVUIPCJQBRX-GOSISDBHSA-N 428.527 4.153 10 20 IICD C[C@H](NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 729603408 VDHNWOXRHGHJEN-CPJSRVTESA-N 430.552 4.201 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 731281885 AFNWRCYNMZKIJO-IBGZPJMESA-N 438.572 4.331 10 20 IICD O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1ccccc1O)C1CCCCC1 731899871 YQELTXCBVFQPLE-UHFFFAOYSA-N 443.569 4.299 10 20 IICD CCn1nc(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)ccc1=O 731974822 GNZHBQHDHDDJIM-GOSISDBHSA-N 444.457 4.189 10 20 IICD O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 733334975 WESYAJQNDTUTGC-MRXNPFEDSA-N 441.862 4.309 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)N[C@@H]3CCOc4ccccc43)CC2)cc1 741490842 UGTKAANMFHBJEY-LJQANCHMSA-N 433.524 4.245 10 20 IICD Cc1c(Br)cccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 742557688 WJBDIGKLKVPCIW-KBPBESRZSA-N 435.337 4.440 10 20 IICD COc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)c1 742753876 MJWVXQCQJMXCSL-NRFANRHFSA-N 427.545 4.065 10 20 IICD Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742803787 PKKCATVPCDVREA-KRWDZBQOSA-N 426.467 4.181 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](CSc3ccccc3)C2)c1 743383405 PMWNTMXCZHSVPD-HXUWFJFHSA-N 440.609 4.041 10 20 IICD O=C(NCc1ccc(OCCOc2ccccc2)nc1)NCc1c(O)ccc2c1CCCC2 743541740 BTQVHHCALUCEKI-UHFFFAOYSA-N 447.535 4.123 10 20 IICD Cc1cnc([C@@H](C)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 750086758 NCQBFQYQBUJWCG-ZMTLZGASSA-N 437.637 4.372 10 20 IICD Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751929683 AYJBVOPGQDSTQU-ZDUSSCGKSA-N 429.929 4.462 10 20 IICD Cc1ccc(F)c(N2CCC[C@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)c1 751931575 OXAHRUCSTAUSDH-FQEVSTJZSA-N 439.512 4.116 10 20 IICD Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 752365928 YCXJMKBRJHNCRP-ROUUACIJSA-N 428.552 4.444 10 20 IICD O=C(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)Nc1ccc(N=Nc2ccccc2)cc1 755033124 KMLDSNMXDALUPM-NRFANRHFSA-N 446.463 4.460 10 20 IICD COc1ccccc1[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)c1nccn1C 756390485 IFSIJBZROGJLRP-XIKOKIGWSA-N 434.309 4.476 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnc(OCc3ccccc3)cn2)cc1 758285756 MASZQCZHABCRJP-UHFFFAOYSA-N 444.457 4.326 10 20 IICD CS(=O)(=O)c1cccc(Cl)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758327873 YTQPTDDORYLWNT-CQSZACIVSA-N 444.931 4.104 10 20 IICD CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 758640354 XYAPKGRKPIWWQA-UHFFFAOYSA-N 427.386 4.461 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(O[C@@H]2CCOC2)c1 758898899 HCQVXZBRAHSTSD-HSZRJFAPSA-N 425.573 4.349 10 20 IICD C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 760375109 DSUMPXABAWKEQC-MRXNPFEDSA-N 428.495 4.286 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccnc1Oc1cccc(F)c1 760999307 KSCIQAHXNVAWMR-UHFFFAOYSA-N 441.846 4.336 10 20 IICD COc1ccc(C[C@@H](C)CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 761660786 XXDYFHGXZNWHLS-LJQANCHMSA-N 427.614 4.269 10 20 IICD O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NCc1cccc(Br)c1O 764771189 UHEJCOZGJMCJKO-UHFFFAOYSA-N 446.276 4.481 10 20 IICD Cc1ccc(CNC(=O)C2CCN(Cc3cccc(Br)c3O)CC2)cc1F 768320574 VBCWZMKFSLWSOO-UHFFFAOYSA-N 435.337 4.131 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)ccc1Br 768914470 CZLCCMWTDKHZHM-OAHLLOKOSA-N 441.728 4.342 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 768994411 UVWJPAIHUMHWGY-KRWDZBQOSA-N 437.569 4.314 10 20 IICD O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc(N2CCOCC2)cc1 774655178 YXUUWYMNLRSUBU-UHFFFAOYSA-N 432.349 4.093 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccc(C(F)(F)F)c1 774925218 VEZWBJCMENHKCZ-HNNXBMFYSA-N 433.474 4.140 10 20 IICD Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)c4ccc(N(C)C)cc4)CC3)c2c1C 775405288 SCAZXUPOFISGQO-MRXNPFEDSA-N 437.613 4.468 10 20 IICD CC[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1O 775488130 HTVISTXNGAKJDX-DYVFJYSZSA-N 439.339 4.064 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(Cl)cc3)cc2)CC1 779061686 PLBODQFBQZNOLW-DEOSSOPVSA-N 440.996 4.454 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)O3)c(C)n1-c1cc(Cl)cc(Cl)c1 782004723 QYVHMBGSCCLTSK-UHFFFAOYSA-N 436.339 4.158 10 20 IICD COCCn1ccc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc21 782895731 FEKVKQGJWLYNOZ-UHFFFAOYSA-N 449.551 4.293 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n(-c2ccccc2)n1 782897606 ZAXOVOUJWLBYGL-UHFFFAOYSA-N 432.524 4.186 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 783317179 UVJSFYNWNCHBJG-UHFFFAOYSA-N 434.515 4.329 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1)c1ccc(N)cc1 783487549 WQZDBZPKBJJREO-KRWDZBQOSA-N 425.492 4.392 10 20 IICD COc1ccc(SCCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 790161403 YZZHCUXSHCQDOU-QFIPXVFZSA-N 428.598 4.451 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(Cl)c(C)c1 791248972 BHRJSMCLFZQNGE-UHFFFAOYSA-N 432.948 4.416 10 20 IICD CCc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1C(CC)CC 792283702 ZGFXJXZVOCXEPW-UHFFFAOYSA-N 427.593 4.248 10 20 IICD COCCCC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 792288698 XNNHLHWGRGGNOW-XMMPIXPASA-N 425.573 4.223 10 20 IICD CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 792593798 KVQDQJIGXFMYSR-UHFFFAOYSA-N 448.500 4.171 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 798501499 JZGIZRGUBDIZJG-HSZRJFAPSA-N 438.528 4.115 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@]2(CCO[C@@H]2C)O1 799994397 LMOOQJBDXMYXMX-MIVHDCIWSA-N 435.996 4.054 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCC(=O)N4C)cc2Cl)C1 800048605 GMFHZJXHTHZBLX-INIZCTEOSA-N 425.960 4.415 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2Cl)C1 800569921 CPIXTVRJOBREGN-INIZCTEOSA-N 428.964 4.070 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 801888601 ONXJJKHOTBYSMP-UHFFFAOYSA-N 438.459 4.238 10 20 IICD CC(C)COC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccco1 803393674 ZMKMDPCUIGWBHS-NRFANRHFSA-N 442.556 4.177 10 20 IICD C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nc(-c2cccc(F)c2)no1 805163494 SPGANOZCKVDQNY-VIFPVBQESA-N 425.247 4.449 10 20 IICD C[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H](C)c1ccccc1C(F)(F)F 806276634 HCGHUVSCUNFDKT-OLZOCXBDSA-N 445.532 4.069 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 807323076 OAHYJUDMHPGDLE-KSSFIOAISA-N 434.418 4.060 10 20 IICD O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1 810172631 PQVHFNJFCHGPKT-UHFFFAOYSA-N 434.323 4.358 10 20 IICD C[C@@H]1CCCN(c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)ccn2)C1 812457128 DRQVOTQFAKZAOU-HYBUGGRVSA-N 436.600 4.205 10 20 IICD C[C@H](NCc1cccc(N2CCOCC2)c1)c1cc(Br)cc(Cl)c1O 815639064 MRGJSCBNYGXJDD-ZDUSSCGKSA-N 425.754 4.496 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cn2)C[C@@H](C)O1 915699369 YNJFZCZPJUBPLE-WOJBJXKFSA-N 437.588 4.349 10 20 IICD C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 916058426 NYQZKKGWIPTMJF-ZDUSSCGKSA-N 448.862 4.385 10 20 IICD CN(CCCOc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918080275 BTLCGINRESEBFX-UHFFFAOYSA-N 449.954 4.051 10 20 IICD CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 918129417 FPVOPRIUVMHNHT-VQTJNVASSA-N 426.513 4.005 10 20 IICD COC(=O)Cc1csc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1 919852692 RREHQVUNUKJOAB-UHFFFAOYSA-N 448.342 4.281 10 20 IICD COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)o2)cc1 920472110 JOQNWJVBILCWLF-CPNJWEJPSA-N 442.562 4.029 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1=O 920880593 FFTPWLHGJFZLKS-TUNNFDKTSA-N 449.595 4.267 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 921076719 JCHZAHPURRLVML-IBGZPJMESA-N 430.543 4.479 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn3c(C)cc(C)nc23)cc1 1318425239 GPDSJXCAAURPFK-UHFFFAOYSA-N 429.524 4.268 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccoc2s1)c1cc(O)c(O)c(Cl)c1 1796582640 ZPATTWZRDFJCHZ-BTTYYORXSA-N 446.912 4.125 10 20 IICD COC1(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)CCC1 1803420519 SDKHWIFCNJXEMN-VILGAWFOSA-N 449.595 4.305 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC 8663568 XZGNXCQRIQYECJ-UHFFFAOYSA-N 439.434 4.085 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(I)cc1Cl 437004672 DUFKGFDZOKYKJF-UHFFFAOYSA-N 442.684 4.050 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1ccc(F)c(Cl)c1 807837177 FDZIEIJIXILBQR-UHFFFAOYSA-N 429.666 4.311 10 20 IICD COc1cccc(CNC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1O 806657047 RTKOGRFLUFHPJS-UHFFFAOYSA-N 440.403 4.140 10 20 IICD O=C(Nc1cccc(-c2ccccc2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 806843642 KSFHDRWRVLFWBS-HSZRJFAPSA-N 430.504 4.206 10 20 IICD Cc1nnc(SCC(=O)NCc2cc(Cl)cc(Cl)c2O)n1Cc1ccccc1 807839332 CBHRZPUWEVWYJW-UHFFFAOYSA-N 437.352 4.056 10 20 IICD Cc1nc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)cc2o1 800637037 SKCJLZRWDGCOEG-CQSZACIVSA-N 440.931 4.281 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC2(CCOCC2)[C@@H]1C1CC1 816656512 VEGOJEPNBUCIJK-INIZCTEOSA-N 431.168 4.308 10 20 IICD Cc1nn(C)c2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc12 812993135 WZHAWXRGEFOGCV-UHFFFAOYSA-N 447.461 4.059 10 20 IICD CC[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C(F)(F)F)cc1O 810215995 AWXYMSBNILIOLO-WIYYLYMNSA-N 449.517 4.349 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 726266251 NXNKGJKQSRNIIG-UHFFFAOYSA-N 432.609 4.321 10 20 IICD O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 819422031 SLJMYMCIIZNULS-AWEZNQCLSA-N 449.878 4.434 10 20 IICD COc1ccc(N2CCC(NC(=O)C3=Cc4cc(Br)ccc4OC3)CC2)cc1 726561434 WFRLLQQAIFRYHR-UHFFFAOYSA-N 443.341 4.019 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 728402707 ADNJFDKREWAHDI-UHFFFAOYSA-N 445.450 4.469 10 20 IICD COc1cc(Br)c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC 727106988 JTYKMGNDNKEZPW-UHFFFAOYSA-N 444.329 4.199 10 20 IICD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 727223316 JYOZEOHVXBEYPA-UHFFFAOYSA-N 445.947 4.406 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 730526406 HHKHZILEEMADND-GOSISDBHSA-N 446.638 4.268 10 20 IICD CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 735379754 URXMEFXLTZLGRL-WBVHZDCISA-N 431.524 4.015 10 20 IICD COc1ccc(N2CCCN(CC[S@](=O)c3cc(Cl)ccc3Cl)CC2)cc1 735491107 FLKJHCNAWPMNJE-MHZLTWQESA-N 427.397 4.322 10 20 IICD CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 731991916 ZKTHKXGZKHSQSO-UHFFFAOYSA-N 448.397 4.421 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1 917006074 KFRKDGJZSYGAIX-PNCHPQGNSA-N 443.538 4.032 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 917170121 XUSNRUMEGBLAEN-HUUCEWRRSA-N 440.437 4.153 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)c1 746792921 CFBSTZDTWGVCDJ-QGZVFWFLSA-N 434.492 4.104 10 20 IICD Cc1ccccc1OCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457956 DHWMDMYZBIOBII-UHFFFAOYSA-N 436.474 4.326 10 20 IICD COc1ccccc1C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C 747955628 RTOZRWCKMVJECD-FCHUYYIVSA-N 426.557 4.359 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(OCCN(C)C)c1 743102909 LFOZLMXWSOJVER-UHFFFAOYSA-N 436.350 4.149 10 20 IICD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cc1 916120641 FTJMXKPSXDTAIK-UHFFFAOYSA-N 436.577 4.307 10 20 IICD COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(F)F 742801303 PCPGQRHSZSEFCC-CQSZACIVSA-N 442.409 4.297 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1 914788032 PQBABDTVDSVKAV-QGZVFWFLSA-N 434.483 4.106 10 20 IICD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc2c(c1)COC2 746539918 AMSKQAKLZQTPMI-UHFFFAOYSA-N 446.842 4.185 10 20 IICD O=C(Nc1cc2c(cc1Cl)OCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743083677 JDWIOJYYQMQAAI-GFCCVEGCSA-N 439.846 4.461 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)cc1 741095298 KCXAMYNYNRYANM-UHFFFAOYSA-N 427.520 4.058 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920866677 JQXNMFYRUOBXEO-IRXDYDNUSA-N 446.389 4.277 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(c2ccncc2)CC1 758624478 PDFDSWKPZQUWSG-UHFFFAOYSA-N 430.499 4.241 10 20 IICD COc1ccccc1-c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)no1 750874787 OJYVIANCNDQKCT-FQEVSTJZSA-N 435.524 4.238 10 20 IICD CSCC[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)c1nnc2ccccn12 756365215 NYOWYQYCNCECJU-ABAIWWIYSA-N 439.354 4.482 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC2CC2)c(F)c1 759312855 MGJDKCUMOSSDON-MRXNPFEDSA-N 445.510 4.151 10 20 IICD C[C@@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(N2CCOCC2)cc1 765669497 MFRYYNKFTLGETK-KOSHJBKYSA-N 434.515 4.207 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Br)c1 765255442 QOMQWBMSQWYLJC-NQIIRXRSSA-N 430.390 4.392 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(COCc2ccco2)c1 761006390 SUWNLOYTTDUIDG-UHFFFAOYSA-N 440.883 4.320 10 20 IICD C[C@@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1Cl 765503129 OCJMFWIHDNGBEQ-VLIAUNLRSA-N 444.881 4.459 10 20 IICD CCOc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 771447255 OAEKKDZOZFMZIG-LJQANCHMSA-N 432.520 4.311 10 20 IICD COc1ccc(Cl)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)c1 777473485 LNTHZFDBGUUPOB-UHFFFAOYSA-N 431.699 4.333 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cn(C)nc3-c3ccccc3)cc2F)C[C@@H](C)O1 779628016 PLCWHRQALLGMQW-IAGOWNOFSA-N 437.519 4.162 10 20 IICD CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 777708100 LYKAUSQRLAJYFU-QZTJIDSGSA-N 449.592 4.053 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 785296830 JAUTVVFWNQJUMQ-AWEZNQCLSA-N 440.883 4.229 10 20 IICD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784112954 QLLWVUBAAIZIRZ-UHFFFAOYSA-N 441.553 4.156 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4nc(-c5ccccc5)oc4c3)c2)CC1 793884464 OTAZTYPEMPTJKW-UHFFFAOYSA-N 440.503 4.416 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccncc3OCC(F)(F)F)cc2)CC1 798407463 AEFGXZVGZOGGET-UHFFFAOYSA-N 436.478 4.258 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc1-c1cccc(Cl)c1 1321452027 MEONBXPRBJIVGW-UHFFFAOYSA-N 433.942 4.457 10 20 IICD O=C(CC1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740784 OTLAOLWXRYVYPQ-LJQANCHMSA-N 434.964 4.175 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)O)CCC3)cc2)cc1 1790691689 BRNTZQKBKWPPJN-IBGZPJMESA-N 431.536 4.223 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2CCCCO2)cc1 1794020433 SODUMCWYUKSZLZ-VHXCZSFDSA-N 449.595 4.305 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccccc2Cl)n(C)c1=S 16878784 QBZOWHQVEKSDAC-UHFFFAOYSA-N 444.004 4.198 10 20 IICD COc1cc(OC)cc([C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c2nccn2C)c1 29131951 DOCVOQWQMUUNIB-DEOSSOPVSA-N 444.535 4.364 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)CC2)cc1 303816846 DRYWSPXQJPPLIR-UHFFFAOYSA-N 434.540 4.062 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 726705452 LFPNHIRKHNYMBW-KRWDZBQOSA-N 436.556 4.073 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cn1 726986644 VHYSPEQKGJFCHS-AWNIVKPZSA-N 425.304 4.398 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 727404876 CCWZODVOHDAJMV-OAHLLOKOSA-N 445.972 4.147 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(Br)cn2)c(C)n1-c1cccc(F)c1 727552918 NZHKCEMMGZNELQ-UHFFFAOYSA-N 431.261 4.430 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCN(Cc2cscn2)CC1 727624519 ZCLNRDPDNUPWTE-UHFFFAOYSA-N 448.552 4.232 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)CC1 731016782 YQQZAXHDQZVYHT-QFIPXVFZSA-N 425.960 4.246 10 20 IICD Cc1cc(C(=O)NCc2nnc(S)n2C2CC2)c(C)n1-c1ccccc1Br 731439862 LYQOIUDKBQMGTH-UHFFFAOYSA-N 446.374 4.002 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c(Cl)cccc4C3)cc2F)C[C@H](C)O1 740031263 KTYQUWCNLOVUDX-HOTGVXAUSA-N 431.939 4.361 10 20 IICD C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Cc1cccs1 741646482 NEKZPZHDCRPIAS-CYBMUJFWSA-N 434.473 4.040 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@@H]1CCOc2ccccc21 743283819 FXYOXLVGZGTBCT-DDNKWHRWSA-N 438.574 4.248 10 20 IICD CC(C)(C)C(=O)Nc1nc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cs1 743430650 MSFSXNGFUDCBCT-UHFFFAOYSA-N 427.526 4.198 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccccc2)C1 745903649 IKEISTXOUOOIKG-WIYYLYMNSA-N 431.483 4.040 10 20 IICD COc1ccc(NC(=O)c2nnc(CN(CC(C)C)c3ccc(OC)cc3)s2)cc1 746169948 IBVKWFGVEPNLRY-UHFFFAOYSA-N 426.542 4.470 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc5ncccc5c4)n3)ccc2N1 747855929 DKYIJTOKZSOKDV-UHFFFAOYSA-N 436.518 4.044 10 20 IICD Cc1cc(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c[nH]1 748462033 XIBMFLROLMYCDQ-UHFFFAOYSA-N 432.398 4.149 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCCCSc2nccs2)c1C 749730682 AZADRQOBLCFBEA-UHFFFAOYSA-N 442.566 4.184 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 749730787 VZQBGYVKDLKSTA-UHFFFAOYSA-N 439.431 4.034 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC1CCCCCC1 751932659 WMZDDQMFPDXHLA-OAQYLSRUSA-N 429.586 4.337 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1F 752363327 UULAAJQKKGJIDM-ZDUSSCGKSA-N 443.416 4.381 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3Br)CC2)cc1F 753877279 SSCQWPBCKNRKQQ-UHFFFAOYSA-N 426.261 4.090 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 755128270 UYYMRSIVJHTDSH-HLIPFELVSA-N 429.511 4.278 10 20 IICD C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)c(F)cc1O 756512420 XZROZPYOWLHZHF-AUUYWEPGSA-N 435.337 4.178 10 20 IICD CCCCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 759475504 UNVLHEGKLNJERQ-OAQYLSRUSA-N 428.558 4.330 10 20 IICD COc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 759726099 CPUMGUXDWIEDHJ-FQEVSTJZSA-N 449.473 4.037 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1nc(Br)sc1C1CC1 764355097 CEKIHDZCOJQEHR-UHFFFAOYSA-N 438.416 4.266 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 765895475 YNILJKHUBGCNRM-QGZVFWFLSA-N 443.511 4.442 10 20 IICD COc1ccc(N2CCC(NC(=O)CSc3cccc(Br)c3)CC2)cc1 766387735 OQRSIKOFFIAHAM-UHFFFAOYSA-N 435.387 4.335 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 766433900 ZTCORERPONSISH-MRXNPFEDSA-N 449.954 4.312 10 20 IICD Cn1nc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1OC(F)F 767719366 PWSGMFLQOMFLFS-UHFFFAOYSA-N 429.383 4.232 10 20 IICD COCc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc2ccccc12 771057441 JNGBERYBBCSQEO-QGZVFWFLSA-N 428.916 4.333 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cc(F)c(N2CCCCC2)c(F)c1 772093886 VCLSOARSUCELRI-UHFFFAOYSA-N 435.858 4.283 10 20 IICD Cc1cc(-c2ccc(NC(=O)c3nccs3)c(C)c2)ccc1NC(=O)C1=S=CC=N1 772311568 ODCJUFRAHNKYQX-UHFFFAOYSA-N 434.546 4.367 10 20 IICD Cc1cc(NS(=O)(=O)c2ccc(OCCCC(=O)O)c(Cl)c2)c(C)c(C)c1O 775291494 JPYRHQJWSZEUGH-UHFFFAOYSA-N 427.906 4.015 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)cc1 775565850 RDGCUAYJKYKPAM-OLZOCXBDSA-N 430.339 4.115 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1)c1ccccc1 776126746 GNKBBYYYKJOBGM-CYFREDJKSA-N 436.600 4.298 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1C(=O)O 776743433 HWESFUIAOAKTKM-UHFFFAOYSA-N 440.502 4.476 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1O 779038933 DGVBDKCTABAYAH-LBPRGKRZSA-N 438.753 4.226 10 20 IICD Cn1cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c(-c2ccncc2)n1 780774010 GMUGEFLSSVECCH-UHFFFAOYSA-N 433.556 4.460 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N2CCNC2=O)cc1 786820921 IHPSATOBIIKDLU-MRXNPFEDSA-N 430.499 4.137 10 20 IICD CC(C)N1CCN(c2cccc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2)CC1 790639564 KXRAWHFUNHJWBB-UHFFFAOYSA-N 441.519 4.123 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1O 795693802 JCRHFCFJGSBENT-YFNKSVMNSA-N 429.516 4.333 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(F)c(F)c2)nc1-c1ccc2c(c1)CCC(=O)N2 799186645 FHOYKMUWBYRPQW-UHFFFAOYSA-N 435.477 4.082 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)ccc1F 799186940 KDEWTQZWAIYBST-UHFFFAOYSA-N 432.502 4.036 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl 799262019 IZTJEIFQLSSAPN-UHFFFAOYSA-N 443.700 4.325 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 801917388 BJJQKAHBXANOEF-HXUWFJFHSA-N 429.572 4.175 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@H](C)S1(=O)=O 805398275 ZXMZFDYPTFEGJV-QFBILLFUSA-N 428.558 4.206 10 20 IICD CC1(C)CC[C@H]2C[C@H](NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c3cccc1c32 807291612 KYUYLZPKEODWCI-CVDCTZTESA-N 429.564 4.095 10 20 IICD O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809196456 UDBWDFJGGDCPRB-WIYYLYMNSA-N 436.483 4.106 10 20 IICD O=C1/C(=C/c2ccc(SC(F)(F)F)cc2)SC(=S)N1CCCN1CCOCC1 814284897 CRHVLYSZJSQHSE-QINSGFPZSA-N 448.557 4.222 10 20 IICD Cc1nc(-c2c(C)noc2C)sc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 857475296 GYPHPUNNWGYOBM-KRWDZBQOSA-N 427.526 4.250 10 20 IICD COCCn1c(C)cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1C 913517304 JSSYSIYQGRYLIQ-YBFXNURJSA-N 429.567 4.116 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 917310468 XMPXABCPBHBSEO-UHFFFAOYSA-N 448.903 4.258 10 20 IICD CCCOc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC 918213014 LTYCGBQBWYSWLD-QGZVFWFLSA-N 445.535 4.020 10 20 IICD Cc1cc(C(=O)NCC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 918645825 ZBDWTRVWYIJTLI-UHFFFAOYSA-N 426.314 4.225 10 20 IICD COc1ccc(OCc2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1 919806768 HCKQGDHPOBCILS-UHFFFAOYSA-N 439.581 4.199 10 20 IICD Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1Cl 920865430 BWJKRVAPKNCDDM-OAHLLOKOSA-N 443.396 4.486 10 20 IICD Cc1cc(-c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)o2)c(C)n1-c1ccccn1 1322828419 PBFWTESPUUMJKU-UHFFFAOYSA-N 426.480 4.497 10 20 IICD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c(Cl)c1 1803630630 ZPRFAZOKEZBTOH-QDMKHBRRSA-N 449.334 4.279 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291695 ZTMSIFMBRBHTAN-KRWDZBQOSA-N 446.935 4.361 10 20 IICD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739893 FFGGNTWKQWXHGI-SXHVTTPXSA-N 434.964 4.031 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccc(C)cc3Br)CC2)cc1 97476986 CENFPGYWVJCQNH-QGZVFWFLSA-N 446.389 4.305 10 20 IICD CC(C)c1n[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1Br 111215442 YQMGTZIFDRFEHI-KRWDZBQOSA-N 449.393 4.183 10 20 IICD CCOc1cccc(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O 236932873 QLBMPGGMQVTOMG-HSZRJFAPSA-N 425.550 4.382 10 20 IICD CCc1ccc([C@H](NC(=O)COC(=O)c2ccc(C)c(O)c2O)c2cccs2)cc1 727004585 YJNPOXYTJKMSMY-FQEVSTJZSA-N 425.506 4.093 10 20 IICD CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(OC)c2O)cc1OCC 729859418 OETFOQNUGZAUAG-UHFFFAOYSA-N 449.503 4.359 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](c3nnc(S)n3C3CC3)C2)c(C)n1-c1ccc(F)cc1 732171181 YZIYUVLCWJVFOA-MRXNPFEDSA-N 439.560 4.468 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 732958582 JNJHNDOMPQMPBQ-UHFFFAOYSA-N 428.330 4.019 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)c2C)cc1 734821803 LAHZRDRRRUUERM-UHFFFAOYSA-N 438.959 4.109 10 20 IICD Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 735174689 HWCLPKQVPRIGMZ-UHFFFAOYSA-N 429.586 4.098 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1Cl 735517261 BBDQITHGQPPJLV-GDBMZVCRSA-N 449.382 4.256 10 20 IICD CC(C)(Sc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 736071952 AZISMOSKLAHUHM-UHFFFAOYSA-N 449.414 4.473 10 20 IICD CCOc1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1OCC(=O)OC 739598096 DNMNJJNAUGDCHJ-UHFFFAOYSA-N 426.513 4.126 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](Cc1ccccc1)c1ccccc1F 740909191 JRIQAKMJFGJTAT-VWLOTQADSA-N 433.527 4.446 10 20 IICD COc1cc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)c(SC)cc1OC 741404059 BRODJDFTYFMWPQ-UHFFFAOYSA-N 429.586 4.150 10 20 IICD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742416526 AQYINPRQNLJQMF-ULJHMMPZSA-N 430.556 4.065 10 20 IICD CC(C)NC(=O)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1 742423402 LVOYFIBQQOLVQF-INIZCTEOSA-N 448.470 4.415 10 20 IICD C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCc2ccccc2C1 742551549 IEXFAWRUOWEWLF-HSZRJFAPSA-N 432.486 4.353 10 20 IICD Cc1[nH]c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1C(=O)OC(C)C 742799408 KVMQVPGJHJUFEG-INIZCTEOSA-N 449.498 4.197 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 743101011 MCHPNOGMUWCQFY-UHFFFAOYSA-N 436.306 4.176 10 20 IICD CCO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 743567630 RQSKEWYUMXYOTN-KRWDZBQOSA-N 429.565 4.278 10 20 IICD O=C(NCCc1cc(F)cc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743575647 JYRIQEMCIIMEFW-QGZVFWFLSA-N 425.426 4.077 10 20 IICD COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2c(O)ccc3c2CCCC3)cc1 743716920 PAJMISYJKBBNQV-UHFFFAOYSA-N 430.504 4.462 10 20 IICD CCOCCCN1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@H](C)C1 745826762 DDDCPYKOFDZODA-OFNKIYASSA-N 431.621 4.374 10 20 IICD C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](OC1CCOCC1)c1ccccc1 747404610 VBJUEDCESBBGPB-GAJHUEQPSA-N 429.536 4.016 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C 747477386 DFBRXZSCDMNSOW-UHFFFAOYSA-N 433.508 4.117 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)oc1C 751127044 HRFRNLMNAMRFQB-UHFFFAOYSA-N 430.866 4.091 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cnc(Cl)c(Cl)c1 751468841 WPALZYOWKSOVPK-UHFFFAOYSA-N 440.146 4.067 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)C2CC2)cc1 753263831 RAXHOWLXIOXWKH-UHFFFAOYSA-N 437.519 4.249 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)cc(Cl)c1O 756398939 KGKVSXNLVOPKGG-LLVKDONJSA-N 427.726 4.357 10 20 IICD C[C@@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O 756404287 UFRSHHQKHNJIMK-HXUWFJFHSA-N 446.551 4.473 10 20 IICD CCc1c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cnn1CC(C)C 757159659 HIFZUYAFFAHWPF-UHFFFAOYSA-N 439.604 4.125 10 20 IICD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758815714 SFXVQSKLHSDNTJ-PLMTUMEDSA-N 433.499 4.068 10 20 IICD COCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 760016128 KTZKLQNCEWLHTR-GOSISDBHSA-N 434.577 4.087 10 20 IICD COc1cccc([C@H]2CC(=O)N(CN(Cc3ccc(N(C)C)cc3)CC(F)(F)F)C2)c1 760527718 JJKZTWARDKDCGM-IBGZPJMESA-N 435.490 4.099 10 20 IICD COc1ccccc1[C@@H](c1ccccn1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761648567 ODXZRIGCMSFTOJ-QFIPXVFZSA-N 437.883 4.003 10 20 IICD C[C@H](NC(=O)N(CCCO)[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 763075357 AZTPGOZTWZQIBI-CPJSRVTESA-N 437.584 4.056 10 20 IICD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1cccc(Br)c1O 765274825 APEXNLQOIBQZGO-UHFFFAOYSA-N 432.318 4.021 10 20 IICD O=S(=O)(c1ccc(OC[C@@H]2CCOC2)c(F)c1)N(Cc1ccccc1O)C1CCCC1 767794566 UZMJEOIRSBHOEV-QGZVFWFLSA-N 449.544 4.080 10 20 IICD CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 768163648 SFMMPOHBGHHSGV-UHFFFAOYSA-N 432.471 4.324 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 768708450 QLKWTSDCUILMOO-IBGZPJMESA-N 425.426 4.155 10 20 IICD Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769310340 AQMZCIJBYNHGJX-XZOQPEGZSA-N 429.992 4.245 10 20 IICD CCN(CC)C(=O)COc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 770490625 VFKDACNWNISXHM-UHFFFAOYSA-N 449.954 4.175 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)cc1 771820877 AOLYOSGKXBSIMM-UHFFFAOYSA-N 443.551 4.459 10 20 IICD CCN1CCN(C[C@@H](C)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 772694113 QNDXTFMYZMOSIQ-FQEVSTJZSA-N 436.604 4.171 10 20 IICD CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 773662261 UDUKXMDZNRHFMJ-PMACEKPBSA-N 425.520 4.150 10 20 IICD CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 773854498 CDKWRVDCKZYIAZ-CQSZACIVSA-N 448.361 4.118 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 774960071 REHIXAOAXZTLHR-GFCCVEGCSA-N 427.303 4.454 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(C)C)nc12 775334642 ZWKKGRBGDSUYJC-GOSISDBHSA-N 436.434 4.117 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 776214491 WJFVLSLDTFEELW-JTSKRJEESA-N 431.964 4.094 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cc(F)c(F)c(F)c3)cc2F)C[C@H](C)O1 776895490 ATFBPLMMWMAJME-KBPBESRZSA-N 439.453 4.198 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1Br 779936207 NBXJINWHRWBMAJ-SFYZADRCSA-N 442.188 4.441 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-n2ccnc2)c1)c1ccc(N)cc1 783483382 VHBARWOQIIXNPE-GOSISDBHSA-N 425.492 4.187 10 20 IICD C[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(Br)cc1O 786982728 RPWPDRDKCYQKGL-KZULUSFZSA-N 439.300 4.275 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2Cl)SC1=S 790589660 CXWKXDDYEIMZHY-YVLHZVERSA-N 449.045 4.374 10 20 IICD CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 800046725 BVNORRUADMLVNF-SFHVURJKSA-N 449.039 4.366 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 800914556 YNMZGVIEJMBVRS-CALCHBBNSA-N 432.590 4.292 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C 802609728 KEARKHODLMWFCG-UHFFFAOYSA-N 431.536 4.454 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)cc2)CC1 805023036 MAMRALDXOLUKDW-JTHBVZDNSA-N 437.559 4.131 10 20 IICD Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807562717 UJKMITBWWLLUAO-QGZVFWFLSA-N 440.588 4.191 10 20 IICD CCN(CC)c1ccc(CNC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 916503142 UMEZPTVNZUXLJX-HAVVHWLPSA-N 442.523 4.094 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3SCc3ccco3)cc2)C1 917833060 LOAUXDNCUZBIIQ-LJQANCHMSA-N 449.576 4.204 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1 918112550 CFJDPPJBMJIZGQ-DEOSSOPVSA-N 434.584 4.014 10 20 IICD NC(=O)c1ccc(CSc2ncccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 918119441 VWCRQVFVKSSFKD-UHFFFAOYSA-N 446.576 4.003 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1ccccc1Cl 918220900 LRFHSPMUPPMEAO-OAQYLSRUSA-N 431.939 4.487 10 20 IICD COc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918222803 XHKUQHMJKMJNES-PNCHPQGNSA-N 441.547 4.495 10 20 IICD C[C@H](N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920867908 XHLQVBCVCZQIAA-FCHUYYIVSA-N 443.591 4.468 10 20 IICD Cc1cc(-c2nnc(-c3ccc(CN4C(=O)CCC4=O)cc3)o2)c(C)n1-c1ccccc1 1322262078 VFFWWZPLNYHMOU-UHFFFAOYSA-N 426.476 4.460 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1N1CCN(C)CC1 1322589755 DFCKOKWQSJAHFJ-UHFFFAOYSA-N 435.616 4.305 10 20 IICD Cn1cccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1787267275 SOOWHNQWERFHIZ-UHFFFAOYSA-N 439.899 4.151 10 20 IICD O=C(CC1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740780 OTLAOLWXRYVYPQ-IBGZPJMESA-N 434.964 4.175 10 20 IICD CC(=O)N(c1nc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1)C1CC1 236712904 YJWUHNKHOWJECX-OAHLLOKOSA-N 436.528 4.018 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 589586413 LJUOUKILESSUCX-UHFFFAOYSA-N 446.507 4.151 10 20 IICD C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCc2sccc2C1 726097463 GFCLGPDQQYFBJZ-KRWDZBQOSA-N 425.554 4.205 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S 727176766 ONFQTWXLRFBQPH-ZSOIEALJSA-N 431.396 4.377 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)cc2Cl)nc1-c1ccccc1 727249575 BTPQGBCXTDAACE-UHFFFAOYSA-N 436.942 4.288 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(SC(F)F)c1 727596698 OSGUUMFDTOFOTB-UHFFFAOYSA-N 425.476 4.423 10 20 IICD CCN(CC)c1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1F 731346645 NMNCLXWPMNACGS-UHFFFAOYSA-N 439.487 4.212 10 20 IICD O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 731859474 VTXYNDKTEFWUJG-HSALFYBXSA-N 430.342 4.466 10 20 IICD O=C(CCn1c(S)nnc1-c1cccs1)N(Cc1ccco1)Cc1ccccc1O 735926780 DTDKJRPBPYJSIM-UHFFFAOYSA-N 440.550 4.213 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc4[C@H]3C)cc2F)C[C@@H](C)O1 738460851 QTIYAMPHWBWSIQ-BRWVUGGUSA-N 429.511 4.407 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 739599529 SQDXHOUBMBKUMF-GOSISDBHSA-N 429.586 4.252 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(Br)cc(Cl)c3O)CC2)cc1 741446993 HPXMGJJCZUGLEK-UHFFFAOYSA-N 439.737 4.169 10 20 IICD COc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc2ccccc12 742337819 XWZADGRLOJNWNY-UHFFFAOYSA-N 445.441 4.029 10 20 IICD CCNC(=O)N1CCc2ccc(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc21 746031436 SGHOZKFYKBNYEU-UHFFFAOYSA-N 435.572 4.337 10 20 IICD Fc1cc(CN[C@@H]2CCCCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1 747816179 USAXLLHAKHMUCO-XMMPIXPASA-N 431.559 4.500 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 748934858 XJABUEVMBJYOBN-UHFFFAOYSA-N 443.550 4.055 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(-n2nccc2C(F)(F)F)c1 749173225 RRMYWZWUYTXMDN-UHFFFAOYSA-N 446.498 4.374 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OC4CCCC4)CC3)cc2F)C[C@@H](C)O1 749415807 LGZYJJRGWNDUOA-HDICACEKSA-N 433.568 4.073 10 20 IICD O=C(Nc1ccc2nc(C3CC3)oc2c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 751012355 TXPSINQPBJSOIM-UHFFFAOYSA-N 431.448 4.171 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H](C1CCCC1)C(F)(F)F)c2[N+](=O)[O-] 752473845 NXKGDGOHRIWWKI-HXUWFJFHSA-N 446.381 4.221 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nccc3sccc13)c2[N+](=O)[O-] 753471183 FILIDGDDBYRGBQ-UHFFFAOYSA-N 429.413 4.232 10 20 IICD COc1ccc(N2CCN(Cc3csc(N(C(C)=O)c4ccccc4F)n3)CC2)cc1 755365222 JGSCGYMVXRVKLY-UHFFFAOYSA-N 440.544 4.298 10 20 IICD COC(=O)CCSc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 756482361 RMQLHXGNXVXNKL-UHFFFAOYSA-N 445.610 4.217 10 20 IICD CN(C(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)c1ccccc1 757151221 YWSTZEUOIBWDDS-DEOSSOPVSA-N 444.531 4.490 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCc2c(Br)cccc21 761232050 OUQGFRLLMQJLGT-MRXNPFEDSA-N 435.705 4.260 10 20 IICD C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 764573296 NUCNENWTEZNGDU-MHECFPHRSA-N 447.982 4.040 10 20 IICD Cc1ccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)cc1 765240417 SNZGTNLGADBODF-CPJSRVTESA-N 444.019 4.209 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 766158541 DGAKFEDEOFPPDM-UHFFFAOYSA-N 433.306 4.416 10 20 IICD CC(=O)c1cc(CN2CC=C(c3ccccc3Cl)CC2)c(O)c(CN2CCOCC2)c1 768471003 NLJYTWLDLVWHSJ-UHFFFAOYSA-N 440.971 4.370 10 20 IICD CCC1(CC)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCS1 768540624 WWEXBHQHWYBCBD-UHFFFAOYSA-N 440.612 4.002 10 20 IICD Cc1cc(Br)oc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768917437 ZJIHJVOLMVISPN-CQSZACIVSA-N 427.726 4.104 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 769985465 HZTXIHBCHOVRBN-UHFFFAOYSA-N 447.583 4.108 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc2c1OCCCO2 770426274 NYQXIRHWOFUTTR-UHFFFAOYSA-N 435.318 4.048 10 20 IICD CC(C)c1nc2ccc(NCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2s1 772902942 AYJMFYMYWQKIBQ-UHFFFAOYSA-N 442.560 4.124 10 20 IICD CCOc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCO2 776229053 DFYWJOWQPAHPFV-TZIWHRDSSA-N 426.513 4.005 10 20 IICD C[C@@H]1CN(c2ccc(CNC3CCC(NC(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 779018272 ABPASZJBXDPPCN-NXMBOHNASA-N 435.584 4.365 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 782041156 IETXZHNLPGUGFW-ZDUSSCGKSA-N 433.537 4.481 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccc(N)cc1 783483036 MJNWXTPPTFIHFI-OAHLLOKOSA-N 446.482 4.026 10 20 IICD Cc1oc2c(CN3CCC[C@H](C4(C)OCCO4)C3)c(O)ccc2c(=O)c1-c1ccccc1 784039078 WICRNLWWASBCPW-IBGZPJMESA-N 435.520 4.449 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)CC1 785551985 SNKVMJCIHILFIE-DEOSSOPVSA-N 431.536 4.038 10 20 IICD O=C(OCc1ccccc1)[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccccc1 786833357 FBZAHNPKNCNFLF-SANMLTNESA-N 430.548 4.140 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)C2CC2)cc1 789381318 BUAYRLNZTKTXNK-ABSDTBQOSA-N 438.597 4.242 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1O 796702152 LGKCRDBCDLCTHT-NRFANRHFSA-N 439.510 4.028 10 20 IICD CC(C)N(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 800719355 JTIQKPNIMXNAFU-SFHVURJKSA-N 449.039 4.365 10 20 IICD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1O 803212856 JPBSVVDOAAEOAH-UHFFFAOYSA-N 444.079 4.064 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)cc2Cl)C1 807209910 SJZSAHIKSWFENA-PVAVHDDUSA-N 447.929 4.279 10 20 IICD CN(Cc1ccccc1O)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccs1 812355182 XQWWZZUQHXVFGI-OAQYLSRUSA-N 434.521 4.242 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC(C)=O 814272661 REEWNMGDXFQTDX-UYRXBGFRSA-N 443.546 4.073 10 20 IICD Cc1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nc(N2CCCC2)n1 815739547 DBLJHUDKGIJGNY-UHFFFAOYSA-N 443.511 4.056 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c(F)c1 914791817 WJMCTMAWCLBQOP-UHFFFAOYSA-N 431.923 4.423 10 20 IICD Cc1cc(C(=O)O[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)c(C)n1-c1ccccn1 914904181 WWXMDRUDQRVPAN-XUZZJYLKSA-N 447.535 4.311 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ncc(Cc2ccccc2)s1 916671951 XRQNRPAMMOPUEK-UHFFFAOYSA-N 426.517 4.031 10 20 IICD Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1 917386396 OKARWGRQGSJDHX-UHFFFAOYSA-N 437.565 4.354 10 20 IICD Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C(C)C)cc1 917707861 ACLNGQJYTYEZMZ-UHFFFAOYSA-N 436.531 4.210 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)cc1C 917849789 NDXBOFHMQOWXCF-UHFFFAOYSA-N 429.567 4.238 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1Cl 917873444 ZJOVYSXESMTZKB-UHFFFAOYSA-N 439.902 4.490 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cn2)c1 918267185 SVYXNPIVGDCVAM-UHFFFAOYSA-N 444.535 4.291 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc4ccc(Cl)cc43)cc2F)C[C@@H](C)O1 919692463 MACJNQMJJPELMC-IYBDPMFKSA-N 429.923 4.364 10 20 IICD COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)c2C)cc1 920471862 GDHFPGYROJAXQN-KGENOOAVSA-N 441.622 4.398 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1Cl 920866193 XAHCSGGZPWFCPG-AWEZNQCLSA-N 429.369 4.178 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 1318194539 AWMLRRUQAAVMFR-UHFFFAOYSA-N 429.567 4.370 10 20 IICD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)NCc1c(O)ccc2c1CCCC2 1318963967 NVDWBBGFWRFRNV-UHFFFAOYSA-N 427.508 4.004 10 20 IICD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(Cl)cc1 1841198951 MRMUBVFFFOPEFG-ZDUSSCGKSA-N 449.334 4.025 10 20 IICD CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1847618341 PJBYCVHPUYJJIH-IRFCIJBXSA-N 442.943 4.006 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 24187310 CWVRPCDOEFHENS-UHFFFAOYSA-N 432.568 4.241 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 72082406 GXWCLYVVQKIVFS-UHFFFAOYSA-N 448.894 4.315 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473767825 UWTNORSMQUXYIU-UHFFFAOYSA-N 431.418 4.388 10 20 IICD Cc1oc2c(CN3CCC[C@@H](CNC(=O)C(C)C)C3)c(O)ccc2c(=O)c1-c1ccccc1 726183820 UJWOTEJVQRFLHO-IBGZPJMESA-N 448.563 4.458 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 726698979 RWXUBJMVYXQYTD-UHFFFAOYSA-N 434.496 4.331 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1F 731362015 LFIVMRIWMPHOHE-HOTGVXAUSA-N 449.596 4.059 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1F 731408622 SLZIQXQMHGEJNI-UHFFFAOYSA-N 429.389 4.085 10 20 IICD CCOC(=O)C1=C(CN(Cc2ccccc2O)C2CCCC2)NC(=O)N[C@@H]1c1ccccc1 731845523 COJVPEHDFXEQBM-XMMPIXPASA-N 449.551 4.008 10 20 IICD Cc1cc(CC(=O)N2CCCC[C@@H]2CN2CCCC2=O)c(C)n1-c1ccc(Cl)cc1 732027080 WXGZFZZTLWKYAT-JOCHJYFZSA-N 427.976 4.294 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 733141881 KVHVEFYNKAPBSO-BWAHOGKJSA-N 440.547 4.159 10 20 IICD COc1cc(C)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 733842253 PLTPRKPWZROROU-ZDUSSCGKSA-N 449.484 4.025 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(-n3cccn3)n2)c(C)n1-c1ccc2c(c1)CCC2 736937006 WVBFSCGLKMMRLA-UHFFFAOYSA-N 440.503 4.203 10 20 IICD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCCCC2)cc1 742475283 CIZPLXRZJXKVCE-OAHLLOKOSA-N 434.367 4.418 10 20 IICD O=C(Nc1ccc(-n2cccn2)c(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743108812 MUTTZNXBYVAEIU-INIZCTEOSA-N 445.445 4.403 10 20 IICD CN(C)c1ccc(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)cc1 745869871 WPWGQMZFRSENOQ-UHFFFAOYSA-N 448.567 4.432 10 20 IICD CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745905523 ORUIOGJXPLNYKX-IEBWSBKVSA-N 425.520 4.248 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 747993747 DGVBZPJTGRJBES-UHFFFAOYSA-N 432.524 4.317 10 20 IICD CCN(CC)C(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1 751356034 LTQOVOFQGYMSTC-UHFFFAOYSA-N 430.570 4.008 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnccc2-c2cccc(F)c2)cc1F 753558517 MABAIEANSMSRES-UHFFFAOYSA-N 438.478 4.128 10 20 IICD C[C@@H](Sc1ccccn1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754240470 OZVZZMPGXBOOBN-APWZRJJASA-N 444.601 4.010 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(CC)[C@H](C)C2)sc(C)c1-c1ccccc1 754384029 CQVMKQINQJTTAL-QGZVFWFLSA-N 443.613 4.255 10 20 IICD CSc1cc(Br)ccc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O 755034094 NBBFPMYCEXGAIG-DHDCSXOGSA-N 443.457 4.466 10 20 IICD C[C@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O 756404286 UFRSHHQKHNJIMK-FQEVSTJZSA-N 446.551 4.473 10 20 IICD Cc1cc(C(=O)CN2CCC(OCCO)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 757129453 HEPZGGGMBUAXFK-UHFFFAOYSA-N 425.356 4.057 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C(F)F 758512293 WUXOWANBEIZHNT-HUUCEWRRSA-N 438.494 4.159 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 760564841 HMJJGNITWRXSHS-BFUOFWGJSA-N 433.451 4.427 10 20 IICD COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 773009891 PRFSLVNOMBDNMV-MBSDFSHPSA-N 425.548 4.276 10 20 IICD COC1(C)CCN(Cc2c(O)ccc3ccc(O)c(CN4CCC(C)(OC)CC4)c23)CC1 774639976 OQJREKTYWXYKKF-UHFFFAOYSA-N 442.600 4.253 10 20 IICD COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1cccc(Br)c1O 775146829 QXRFOMTURQKOKE-LLVKDONJSA-N 427.726 4.324 10 20 IICD C[C@@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1 775712130 OMPGWJWEBXHJTQ-MRXNPFEDSA-N 439.560 4.324 10 20 IICD CSc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-] 777173568 ZMQDRZBMRAMESQ-HNNXBMFYSA-N 435.933 4.070 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccc(F)cc2)cc1 779019138 KKLWWULDKQPVTK-ATIYNZHBSA-N 447.554 4.415 10 20 IICD Cc1sc(NS(=O)(=O)c2cn3c(n2)CCCC3)nc1-c1ccc(OC(F)F)cc1 779791544 KHCDPQBYDRJGGG-UHFFFAOYSA-N 440.497 4.054 10 20 IICD O=C(Nc1cccc2c1OCCC2=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 780684223 ANKLGBMAILVVIR-CQSZACIVSA-N 431.439 4.044 10 20 IICD O=C(NCc1ccccc1CN1CC[C@H](O)C1)N(Cc1ccccc1O)C1CCCCC1 781956332 SNOHPQCLBHPFLT-DEOSSOPVSA-N 437.584 4.003 10 20 IICD OCC1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)CC1 783723902 BEJHFISXPJBCQB-UHFFFAOYSA-N 434.403 4.144 10 20 IICD Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1Br 786725669 SFIIBUJHQNBWMX-INIZCTEOSA-N 432.362 4.155 10 20 IICD Cc1cc(C(=O)COC(=O)c2coc(C3CCOCC3)n2)c(C)n1-c1cccc(F)c1 786730101 OQUWAFRVGFQTCZ-UHFFFAOYSA-N 426.444 4.155 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3noc(-c4ccccc4F)c3C)CC2)cc1F 788840388 QEVJTUHPFXPHJJ-UHFFFAOYSA-N 428.439 4.291 10 20 IICD O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)CCCN1c1ccc(Cl)cc1Cl 788973268 QPKTUMYTJOORML-FQEVSTJZSA-N 434.367 4.115 10 20 IICD CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1Cl 790230361 AMBHTDWAXXMKIG-UHFFFAOYSA-N 438.959 4.197 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nc(Br)ccc2F)cc1 791507252 JFASXWSKNZFUGN-UHFFFAOYSA-N 432.293 4.485 10 20 IICD COc1ccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(O)c1 792909442 VNRIJTHEEGEAOS-UHFFFAOYSA-N 442.519 4.312 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)CCc2ccn(C)n2)c(C)n1-c1ccc(OC(F)F)cc1 795797879 WCFXBUAFQCFLQL-INIZCTEOSA-N 445.466 4.176 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3c(F)cc(F)cc3F)cc2Cl)C1 800635981 CQHXIBPRCUHUCP-GFCCVEGCSA-N 439.865 4.249 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 801550336 VLKJEBAJNOHDOO-UHFFFAOYSA-N 436.961 4.028 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 807767648 PKOAVXMJYVCYNV-FQEVSTJZSA-N 444.579 4.431 10 20 IICD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cc(Cl)cc(Cl)c1O 807839605 PYKGIWMUUZURGR-MRVPVSSYSA-N 436.122 4.441 10 20 IICD O=C(Nc1ccc(-c2ccccn2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 810350387 JVYNVNISZUAPQV-UHFFFAOYSA-N 427.460 4.215 10 20 IICD Cc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812379917 ZRSPEPWRNDQHGA-PZJWPPBQSA-N 435.572 4.004 10 20 IICD O=C(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)Nc1ccc(N=Nc2ccccc2)cc1 916525149 BVUHIFZMMLMAMX-KRWDZBQOSA-N 434.496 4.375 10 20 IICD CC1=NN(c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2)CC1 917380583 GAGVEHSQFXRUHD-UHFFFAOYSA-N 446.473 4.058 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nccs1)CC2 917584575 QQIPFGXLZGGBGF-OAQYLSRUSA-N 426.563 4.427 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)NC3CC3)c2)cc1 917934190 VQGANVUTSMZDLX-UHFFFAOYSA-N 432.524 4.472 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920871012 JJEHGBJXKDGMDZ-PGRDOPGGSA-N 439.556 4.148 10 20 IICD O=C(CCc1nc(-c2ccccc2)no1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1321423928 CJLDISZFDZTXJW-UHFFFAOYSA-N 442.466 4.056 10 20 IICD O=C(/C=C/C1CCCCC1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1790519165 YJRRQMOEMZDFLX-KPKJPENVSA-N 435.524 4.377 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)C(C)C)[C@H]2c2cccnc2)cc1 1806265115 HSLCBJUDIIIJSZ-UKILVPOCSA-N 444.579 4.465 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C3CC4(CCC4)C3)C2)cc1 1846740545 KAHVMBJYOUHNJS-UHFFFAOYSA-N 431.580 4.491 10 20 IICD O=C(NCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)OCC(F)(F)F 78769061 VHLBIXHMWZKMLR-OAHLLOKOSA-N 429.464 4.110 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2ccccc2c1C(F)(F)F 97090369 MUWWCXNJVHBNTA-UHFFFAOYSA-N 429.442 4.362 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 108697700 LOTAAYXOXGSIFV-UHFFFAOYSA-N 445.567 4.174 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(C)c3NC(=O)c3ccncc3)CC2)cc1 109346356 LVONSYKJUBXYJS-UHFFFAOYSA-N 444.535 4.003 10 20 IICD CCN(CC)c1ccc(CN[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1F 236973202 CLESRLITMHULPE-QHCPKHFHSA-N 426.536 4.302 10 20 IICD COc1ccc(-c2n[nH]cc2CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 237381015 WQHZYGREXPOOBP-SFHVURJKSA-N 428.483 4.445 10 20 IICD COCCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2cc(Cl)ccc21 302686625 KJUQJDPFMTZJSX-UHFFFAOYSA-N 447.004 4.153 10 20 IICD Cc1ccc(OCc2nc(CNCc3ccc(N4CCOCC4)c(F)c3)cs2)cc1 303547946 GXYRNDOWXUZZKC-UHFFFAOYSA-N 427.545 4.296 10 20 IICD Cc1c(CNC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n(C)c2ccccc12 472238167 IWKHVUFCISAPPB-UHFFFAOYSA-N 439.947 4.095 10 20 IICD Cc1ccc(-n2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c2C)cc1 728838157 CMEMOUZBXPRIKM-UHFFFAOYSA-N 431.462 4.155 10 20 IICD CCN(CC)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 728978818 PHCVNKYJKDSDIN-UHFFFAOYSA-N 430.552 4.277 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)cc1F 731346473 KBZJUVYZBDUUMC-OAQYLSRUSA-N 425.548 4.149 10 20 IICD O=C(c1cc2cc(Br)ccc2[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735519193 PITRRUFAMPFEPC-KRWDZBQOSA-N 429.314 4.457 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N(C)C)c(Cl)c3)cc2F)C[C@@H](C)O1 738935307 RVPKNCBACDYIPY-GASCZTMLSA-N 434.943 4.480 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 740919598 CKZNJBLBTNRGNS-HSZRJFAPSA-N 425.960 4.371 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(N4CCCCCC4)c3)cc2)C1 741071632 WEZBMQXCTCAWOF-OAQYLSRUSA-N 449.599 4.090 10 20 IICD COc1ccc(N2CCC(NC(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)CC2)cc1 742618046 DANABRJRMSMEED-UHFFFAOYSA-N 442.466 4.086 10 20 IICD C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 742754961 SQEMGRIPNIXMFO-IIBYNOLFSA-N 429.536 4.377 10 20 IICD CC[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)CCS1 742923713 NRTIMBLTNKEMHB-INIZCTEOSA-N 444.578 4.114 10 20 IICD CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905491 OEFFUIGVKAVQGO-QGZVFWFLSA-N 447.482 4.217 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2ccncc2)cc1 746415639 RVVZXEMIXFCWFL-GOSISDBHSA-N 448.542 4.409 10 20 IICD Cc1oc2c(CN3CCC(O[C@@H]4CCOC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 748265838 LEHAIKOUYHBXPB-HXUWFJFHSA-N 435.520 4.244 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)cc1 750662366 KZYIXBIXTZRRKZ-QFIPXVFZSA-N 430.552 4.044 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(Cc4cccc(OC)c4)CC3)CC2)cc1 753154739 QNTZTMGJKZGFGE-UHFFFAOYSA-N 437.584 4.337 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@H](O)CCc1ccccc1 753596117 RHRUYIYZWCKVRD-OAHLLOKOSA-N 429.152 4.001 10 20 IICD Cc1ccc([C@@H](CN[C@@H](C)c2cc(Br)cc(Cl)c2O)N2CCOCC2)o1 756364395 JYUHSYZQNZEPRK-SUMWQHHRSA-N 443.769 4.434 10 20 IICD COc1ccc(I)c(NC(=O)NCCCSc2nccs2)c1 758595162 PERNCBFRCJPPSO-UHFFFAOYSA-N 449.339 4.060 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 763285061 YOJKDJLNPQPRBE-MRXNPFEDSA-N 444.487 4.386 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCO[C@H](c2ccccc2)C1 765319919 CRCAAGKQAYNZCN-DXIQSLLYSA-N 445.510 4.476 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)c3cc(F)ccc3N3CCC(O)CC3)CC2)cc1 765989802 BWWZZSJVIJPQGX-SFHVURJKSA-N 427.564 4.115 10 20 IICD CC(C)c1nc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1 769405170 CKFLDAWGEJACQG-KRWDZBQOSA-N 440.592 4.373 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(Cc1ccc(F)cc1)C1CC1 769621817 RZFXFDFPQLBPQS-UHFFFAOYSA-N 446.525 4.198 10 20 IICD COC(=O)c1n[nH]c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc12 772291618 SXRWWXQSLRTEFJ-UHFFFAOYSA-N 447.495 4.243 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC[C@H](c2ccccc2)N2CCc3sccc3C2)c1O 774980468 WZYGWHPNUBTQBS-HXUWFJFHSA-N 439.537 4.260 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1O 775036358 FWSJIOQHJBUIFX-UHFFFAOYSA-N 429.473 4.214 10 20 IICD CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)cc1 777665529 IOCGWKCHPWSBQE-UHFFFAOYSA-N 426.514 4.370 10 20 IICD COc1ccc(Nc2cc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)ncn2)c(OC)c1 781386664 JIDMSJPLTVLGSJ-KRWDZBQOSA-N 435.528 4.247 10 20 IICD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058878 ADXWNXPFTVWJFU-UHFFFAOYSA-N 429.542 4.120 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ncn1 786109587 RUSGNNIKKKWMOT-HNNXBMFYSA-N 429.423 4.222 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cc1 787468070 KCFRCHPJAGFOEK-UHFFFAOYSA-N 432.524 4.283 10 20 IICD CC(C)(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F 788930895 WSLLFLWUILMBEO-NRFANRHFSA-N 429.511 4.085 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790911453 NLRVSZTVIQCCGW-GMAHTHKFSA-N 446.595 4.263 10 20 IICD CCCCn1ncc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C(C)C 792205760 XKZCMYIQKULBKX-UHFFFAOYSA-N 438.528 4.273 10 20 IICD Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 796710559 HYUHAVKMQYDXHO-UHFFFAOYSA-N 428.536 4.253 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(Cl)c1OCC(F)F 806823545 BEGYASPOBKTFKK-UHFFFAOYSA-N 443.853 4.281 10 20 IICD O=C(Nc1nc(C2CCOCC2)cs1)C(=O)N(Cc1ccccc1O)C1CCCCC1 806993072 OUPVUCQEHSOOSJ-UHFFFAOYSA-N 443.569 4.043 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 809147770 VDLPOOHGHCAMKC-ZHZULCJRSA-N 428.579 4.321 10 20 IICD Cc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 810266628 RZJOOYUASYUMSD-OKILXGFUSA-N 440.441 4.483 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1Br 811814727 RQMCXYPUJXGXCH-SNVBAGLBSA-N 440.250 4.047 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)cc2C[C@@H]1C 812555315 RJJWTQRQWAEULN-NSHDSACASA-N 433.580 4.278 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1 815153076 GSEQCHZVZIQHTK-OSMLLJOWSA-N 444.616 4.015 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCNC(=O)C(C)(C)C)cc1 842896979 GWMQSFDPDSGXIA-UHFFFAOYSA-N 425.573 4.237 10 20 IICD Cc1cc(C(=O)O[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)c(C)n1-c1ccccn1 914904182 WWXMDRUDQRVPAN-ZJSXRUAMSA-N 447.535 4.311 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc3c(=O)[nH]c4ccccc4n23)c1C 915993833 OIVKWVRDSSFXAQ-UHFFFAOYSA-N 443.532 4.262 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc2cccnc12 916631558 JOJSGXPJZQCTEH-UHFFFAOYSA-N 430.430 4.412 10 20 IICD COc1ccc(N2CCCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 917094269 PNFPCRMRUHHLLO-UHFFFAOYSA-N 440.378 4.247 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 917928070 RABARXXZSANDMQ-UHFFFAOYSA-N 443.352 4.111 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1 918308673 AVLFRBUVXVOVAA-UHFFFAOYSA-N 438.572 4.033 10 20 IICD Cc1nc(C)c(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(O)n1 919129386 GFZPJZXTIYLPPG-UHFFFAOYSA-N 449.551 4.473 10 20 IICD Cc1cc(Cl)ccc1OCCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919924376 WGNDHEMTQATPPP-UHFFFAOYSA-N 445.991 4.125 10 20 IICD Cc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1-c1ccc(F)cc1 16398051 IZYYJGOXBGJAOG-UHFFFAOYSA-N 432.455 4.162 10 20 IICD Cc1cc(C(=O)NCCCS(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 195712217 NZHKAJJXJJLZQT-UHFFFAOYSA-N 430.957 4.341 10 20 IICD O=C(Nc1ccc(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cc1)C1=S=CC=C1 436292902 CTBRMKOAOKQNEI-UHFFFAOYSA-N 442.496 4.092 10 20 IICD Cc1cc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)ccc1NC(=O)C1=S=CC=C1 544993805 HXKFQYHCHWUNOD-UHFFFAOYSA-N 444.438 4.266 10 20 IICD COc1cc([C@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1OC 726094943 QCDKKRSRBQYAJE-INIZCTEOSA-N 440.496 4.484 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1 726695455 FUCIDBDNYIBIER-QHCPKHFHSA-N 425.529 4.044 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H](c1ccccc1)[C@@H]1CCCO1 726708635 FKIFGJVEKISZPZ-FCHUYYIVSA-N 445.510 4.476 10 20 IICD CC(C)(C)Sc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 726855496 ZHUFZNCRFBKYSW-UHFFFAOYSA-N 443.638 4.385 10 20 IICD COc1cccc(S(=O)(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c1 727243642 SUXYQGFRVJRHRI-QGZVFWFLSA-N 447.582 4.217 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)/C=C/c3ccccc3Cl)cc2F)C[C@@H](C)O1 727449271 UMGAGJMSBQBHPF-WTBPUQPLSA-N 438.952 4.183 10 20 IICD COc1ccccc1SC[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 728950659 XIJREBHDTMACJI-OALUTQOASA-N 443.613 4.320 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1Cl 731058669 JDZIGZPOABTABB-UHFFFAOYSA-N 425.875 4.181 10 20 IICD C[C@@H](c1cccnc1)N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 734168677 ZZFRWDLFMZCDBJ-NRFANRHFSA-N 435.616 4.439 10 20 IICD C[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 743555108 PYAYTSWYVZIKKZ-INIZCTEOSA-N 433.474 4.198 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)C2CC2)cc1 743895280 DZFWUBCROWHMBT-UHFFFAOYSA-N 430.508 4.070 10 20 IICD CCNC(=O)N1CCc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc21 746032375 UMQVIRSSDPMEIJ-UHFFFAOYSA-N 434.496 4.312 10 20 IICD COc1ccc(N(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC(C)C)cc1 746170012 LJYFPPZFXLWZLD-UHFFFAOYSA-N 428.533 4.278 10 20 IICD Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)nc12 746811545 IKANERCNQYESJO-UHFFFAOYSA-N 426.480 4.356 10 20 IICD COc1ccc(Br)c(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1 747698479 KLZZGAWVSCQZBA-DHDCSXOGSA-N 443.432 4.247 10 20 IICD COc1ccc(CSCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1[N+](=O)[O-] 751305740 KLSRPWGMYGIYBB-UHFFFAOYSA-N 449.492 4.185 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(C)n1-c1cccc(Cl)c1 753015175 CSIMCLRVGWQRKE-QFIPXVFZSA-N 436.943 4.064 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 753028533 ITDRVPROUPMZQI-HDICACEKSA-N 437.519 4.255 10 20 IICD C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cc(F)cc(F)c1O 756599341 ZMRGJCYCIWHNNO-CYBMUJFWSA-N 434.464 4.112 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)cc2)CC[C@H]1NC(=O)OC(C)(C)C 757010700 MDJXPKJHEKSEAO-TZIWHRDSSA-N 432.609 4.368 10 20 IICD CCOc1cccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1O 769314115 DUJGDLOHQBVGCP-UHFFFAOYSA-N 427.545 4.371 10 20 IICD COc1cc(Br)cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1O 769541910 WPINEWFWBSLUNP-SFHVURJKSA-N 432.314 4.492 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC2)cc1 769843652 RNIDFMHFKHOLCW-HXUWFJFHSA-N 433.474 4.078 10 20 IICD CN(CC1CC1)C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1 775726267 QDSFGJDIHWIXAF-ZDUSSCGKSA-N 432.200 4.081 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F 775994917 NHCWTDZYJIZWTC-HXUWFJFHSA-N 448.445 4.046 10 20 IICD COc1cc(NC(=O)NCCCSc2nccs2)cc(OC)c1Br 776025258 QYQMTGZHMIVEKV-UHFFFAOYSA-N 432.365 4.227 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)c1 777835973 IJBWJEKXWDRCRZ-UHFFFAOYSA-N 431.536 4.252 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)ccc21 778079439 RSLCPBRWKZSWNX-UHFFFAOYSA-N 443.588 4.424 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 778621389 WCHSMQQRRWGZJX-LJQANCHMSA-N 429.511 4.281 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 778787431 MNDAPBSHYUZSGP-RUZDIDTESA-N 439.475 4.163 10 20 IICD COc1cc(C)ccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 780808382 IBEXUCFQOUAPCV-HXUWFJFHSA-N 427.545 4.065 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2C)cs1 786874607 UKONWWBHYUXEJQ-UHFFFAOYSA-N 436.530 4.392 10 20 IICD COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(Cl)cc1 787003574 YSUQWECVWVNUBU-QYWGDWMGSA-N 449.954 4.280 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 788745933 AMCBFZMCRXBNFC-UHFFFAOYSA-N 437.462 4.156 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 788928721 CMLDUUWKSJGXRL-JOCHJYFZSA-N 425.960 4.214 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCOc1cccc(F)c1 791245540 BAUUVLAHSDUEPD-UHFFFAOYSA-N 430.520 4.373 10 20 IICD Cc1ccc([C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 792295548 WEVZZBIZIIHHHN-VWLOTQADSA-N 430.552 4.158 10 20 IICD COc1cccc(CN[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1O 796515751 MSUAQLHYTZAQLX-QGZVFWFLSA-N 433.346 4.065 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 797648205 VYDSPYLNWDYBTE-MGPLVRAMSA-N 434.361 4.233 10 20 IICD O=C(c1ccc(F)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2c1COC2=O 800047269 JIIGFDRDTCRTJB-UHFFFAOYSA-N 445.855 4.181 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cnc(O)c(Br)c3)cc2Cl)C1 800572153 SKJNQLYAHPLOMX-LBPRGKRZSA-N 438.753 4.369 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2Cl)C1 800719277 IWNZRAYBPHKJOI-LJQANCHMSA-N 444.023 4.245 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S[C@@H](C)C(N)=O)cc2Cl)C1 800974816 RKOUJKRBNUPRPJ-HOTGVXAUSA-N 446.016 4.472 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 802028867 DFUGAMUYFPGBHF-FQEVSTJZSA-N 425.573 4.125 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc1 802297939 HBZYPLWUAJHQPQ-UXHICEINSA-N 437.588 4.365 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c(C)c1OC 806549671 UFFVQRQBVSOTNV-VCHYOVAHSA-N 428.535 4.376 10 20 IICD CN(c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1)C1CCCCC1 806616044 ZNKUHHSKVVKFJM-PXNSSMCTSA-N 427.511 4.158 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CC[C@@H](C)C2 825504547 PQLMRNVFIBCDGI-ABAIWWIYSA-N 430.501 4.253 10 20 IICD CC(C)(C)C(=O)N1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 915762187 ZVHDBOSEKKQFMS-UHFFFAOYSA-N 435.528 4.194 10 20 IICD CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 915847618 IBESZDTUXPYMOE-UHFFFAOYSA-N 440.565 4.370 10 20 IICD CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917711352 FYBLAEVPZKVQRU-GASCZTMLSA-N 446.592 4.313 10 20 IICD Cc1ccc(C(=O)N2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)s1 918679690 FFNHIHNFPVTKEK-UHFFFAOYSA-N 425.529 4.201 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 919790610 UQYFXEAJIXPUTE-VWLOTQADSA-N 431.536 4.121 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1C 919870707 DVXWJVUCMQDDJV-UHFFFAOYSA-N 430.552 4.042 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(C(=O)c4cccs4)CC3)CC2)cc1 1319015668 KLCCOSAESVIRGL-UHFFFAOYSA-N 427.570 4.030 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 302793996 SIEWMRJNSJXKAT-UHFFFAOYSA-N 425.875 4.181 10 20 IICD Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)nnn1-c1ccc(-c2ccccc2)cc1 437023618 XTHNHHMOZLVTMQ-UHFFFAOYSA-N 439.519 4.348 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3ccc(F)cc3)c3cnn(C)c3)ccc21 479634981 QTYASMZIAHUSEU-XMMPIXPASA-N 434.515 4.297 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cc(C(=O)OC)cs3)sc2C)cc1 727243951 MAGUBXCPLBXORV-UHFFFAOYSA-N 438.552 4.166 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1 728891408 RCIDCMIWTXZQSD-LBPRGKRZSA-N 446.371 4.196 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(C(=O)c2ccccc2)c1 729580393 QGYCIBSJTXPZBR-UHFFFAOYSA-N 443.547 4.448 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)nc1-c1cccc([N+](=O)[O-])c1 730073232 KPUSERYWJNOOKE-NSHDSACASA-N 431.495 4.151 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2F)CC1 730193491 JERQSFWRKNVQGZ-UHFFFAOYSA-N 449.492 4.334 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C(=O)NC(C)C 731281621 GFGFBSXVENPMGF-FQEVSTJZSA-N 425.529 4.052 10 20 IICD CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cc(O)cs1 731910650 UVELXTRVYLWSTQ-UHFFFAOYSA-N 431.491 4.154 10 20 IICD COC(=O)COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1 732114674 KYFRMKWPLUCDTP-UHFFFAOYSA-N 448.519 4.160 10 20 IICD Cc1nc(C(C)(C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc1C 736516566 WXLKDKDBTHOOJT-UHFFFAOYSA-N 449.488 4.109 10 20 IICD CN(C)c1ccc(CN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C2CC2)cc1 736944826 LVZGMDLUTKMYBZ-UHFFFAOYSA-N 429.565 4.060 10 20 IICD O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccc(N2CCCCC2)cc1 742476050 UBSKWWKRGJCAEA-UHFFFAOYSA-N 440.594 4.306 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743540428 RGZGHIYLRMEAIF-HOCLYGCPSA-N 437.462 4.465 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1CCCC[C@H]1C 745510067 MMQUBOPZVAJTHS-MRXNPFEDSA-N 426.399 4.341 10 20 IICD COc1ccc([C@H]2CCN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)cc1 745903834 IWZFIDFLGKEXDG-OALUTQOASA-N 445.510 4.465 10 20 IICD CCOCc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OC 747613247 UPLKAIMTTSWAOM-ZDLGFXPLSA-N 429.519 4.336 10 20 IICD COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)C2)cc1 749934780 WLEJALYGHKLBDR-DBXWQHBBSA-N 441.547 4.147 10 20 IICD Cc1cc([C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccnc2)ccc1F 753623427 HHQSZONSMJSRRM-RCZVLFRGSA-N 432.543 4.110 10 20 IICD COc1ccc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1F 753741090 BYPJXRVVEDORGF-UHFFFAOYSA-N 442.922 4.003 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(Br)cc(F)c1O 756479527 MWOJDOHFEZSJIT-SECBINFHSA-N 446.114 4.346 10 20 IICD CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)Cc2ccccc21 760842733 IVCYPHARDACLEL-UHFFFAOYSA-N 442.562 4.188 10 20 IICD C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N(C)Cc1ccc(N2CCOCC2)cc1 764144689 ZEEJKLNOMBRAJD-KRWDZBQOSA-N 426.948 4.343 10 20 IICD COc1ccc(C2(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CCOCC2)cc1 765311880 ZDIZCAODVYGBBW-IBGZPJMESA-N 428.548 4.070 10 20 IICD CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)NCc1cccc(Br)c1O 765727544 CDUGKDQIKJRDQR-XOBRGWDASA-N 441.366 4.245 10 20 IICD CC[C@@H](NCCCNC(=O)c1cc(OC)ccc1Br)c1ccc(N(C)C)cc1 765883504 GTNYKAIEGBLGTA-OAQYLSRUSA-N 448.405 4.385 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 765925514 HFRIHLCEYXRQSH-UHFFFAOYSA-N 441.281 4.202 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 766250255 LKSPBBKCMGSGOP-DEOSSOPVSA-N 434.515 4.287 10 20 IICD Fc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)ccc1N1CCOCC1 766459305 LFNSJXBITKVXNA-UHFFFAOYSA-N 435.547 4.183 10 20 IICD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)c1 767889947 KGZBZJJAQJUMEJ-UHFFFAOYSA-N 445.445 4.378 10 20 IICD C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]2CCCC[C@H]21 769689899 PCFFCUDVIHZJSX-HFTRVMKXSA-N 434.583 4.295 10 20 IICD Cc1cc2c(N3CCC[C@@H]3C(=O)NCc3ccc(N4CCCCC4)cc3)ncnc2s1 770921871 ICQQIZHOZIFRFY-OAQYLSRUSA-N 435.597 4.275 10 20 IICD C[C@@H](OC(=O)CCCC(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 771123792 CDEIHEGBVXKDFA-GFCCVEGCSA-N 433.382 4.065 10 20 IICD Cc1ccc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)c(O)n1 771140342 FTTSXFYOAFIERZ-UVTDQMKNSA-N 444.563 4.041 10 20 IICD O=C1/C(=C\c2cc(Cl)c3ccccc3c2O)SC(=S)N1CCCN1CCOCC1 774548059 UCKKTYJYRPFODR-QGOAFFKASA-N 448.997 4.122 10 20 IICD COC(=O)c1ccc(-c2nc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cs2)cc1 775255439 QLGITJIDLJFUHY-KRWDZBQOSA-N 437.565 4.284 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3cccc(Cl)c3)C3CCCC3)nc12 775526806 KPAONARONKZYIY-FQEVSTJZSA-N 428.920 4.286 10 20 IICD Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(Br)cc(Br)c1O 775737260 MAXVZJVNXFGPKJ-OAHLLOKOSA-N 429.156 4.296 10 20 IICD Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccc(O)c3O)cc2Cl)n1 776639322 YEXLMLNHXQDKIS-ZDUSSCGKSA-N 428.876 4.017 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(OC(C)(C)C)nc3)cc2F)C[C@H](C)O1 778621502 ZDDCAHDGIWCAPA-IRXDYDNUSA-N 444.551 4.011 10 20 IICD O=C(CCc1cc(F)ccc1Br)NCc1ccc(N2CCSCC2)cc1 784623046 WUBZLMAALJMOJQ-UHFFFAOYSA-N 437.378 4.390 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 787246870 GOQFSQONQQOJOR-UHFFFAOYSA-N 445.489 4.382 10 20 IICD CCNC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1C 788737849 HOPQTVHOZFWJET-UHFFFAOYSA-N 427.574 4.011 10 20 IICD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788932527 OKGMPHHGSUGCCD-QZTJIDSGSA-N 427.976 4.207 10 20 IICD COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)n1 791181534 VALQTNANFACZDQ-UHFFFAOYSA-N 446.532 4.329 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 800564046 XBUGEQLLCBZJFB-UHFFFAOYSA-N 448.489 4.065 10 20 IICD CC(C)c1csc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 807952083 DJXPRNKFEYRXHQ-HNNXBMFYSA-N 449.020 4.089 10 20 IICD COc1cc(N2CCN(c3nc(-c4ccccc4F)cs3)CC2)cc(OC)c1OC 814874205 HOOKXAOAVNSSBF-UHFFFAOYSA-N 429.517 4.302 10 20 IICD C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 815715810 VOEJMTZQLOUTQN-IRXDYDNUSA-N 440.494 4.195 10 20 IICD COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 913078217 YWZLQLINJGENCP-UHFFFAOYSA-N 428.944 4.421 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nnc(C2CC2)s1 914110035 ZADNJIRQRZIMLK-FMIVXFBMSA-N 436.609 4.097 10 20 IICD Cc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c2cccnc12 915749704 YGOAQPNGXGCANO-UHFFFAOYSA-N 426.520 4.248 10 20 IICD COc1ccccc1NC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916025588 DQGMRSREBCNVAM-UHFFFAOYSA-N 425.476 4.037 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nnc(-c3cccs3)n2CC)cc1 916502925 BZFAVNYJXLZAHM-UHFFFAOYSA-N 429.615 4.281 10 20 IICD O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccc(N2CCOCC2)c(F)c1 917184465 NMYNZRAXZJSYPB-UHFFFAOYSA-N 443.569 4.194 10 20 IICD COc1ccc(C2=NN(C(=O)CN(C)c3ccc(OC)c(OC)c3)[C@@H](c3ccco3)C2)cc1 920418452 VCXOGQDZSMTOLL-OAQYLSRUSA-N 449.507 4.120 10 20 IICD CSc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1-c1ccc(F)cc1 920882192 UXBXJGNDTCRHOA-INIZCTEOSA-N 440.544 4.061 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1c(Cl)ccc2nonc12 1117552237 WSVITGTVZFETKP-CYBMUJFWSA-N 448.932 4.000 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1)c1cc(O)nc(O)c1 1786465022 WLUQQBPBOKXOSK-QGZVFWFLSA-N 445.466 4.066 10 20 IICD COc1ccsc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398881 NTWCDFBUHIYFBH-UHFFFAOYSA-N 449.576 4.295 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S 16878875 KJRXZVZSKUJWJJ-UHFFFAOYSA-N 441.626 4.404 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ncccn3)ccc21 557624780 MKOITTIHVIPRNN-UHFFFAOYSA-N 446.555 4.430 10 20 IICD Cc1ncsc1CN(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 731173771 SYWLNAPCZPAPKY-NTEUORMPSA-N 437.637 4.153 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)CC2CCCCC2)cc1 731885547 TVAHRCJLQLFANR-UHFFFAOYSA-N 437.584 4.381 10 20 IICD CCn1nc(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)ccc1=O 731974823 GNZHBQHDHDDJIM-SFHVURJKSA-N 444.457 4.189 10 20 IICD COc1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)c1OC 733334338 HEOGLTHZNZOCMB-KRWDZBQOSA-N 425.356 4.470 10 20 IICD C[C@@H](NC(=O)NCCOc1cccc(C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 733800953 AMEXOQBBOSLSIO-LJQANCHMSA-N 425.573 4.260 10 20 IICD CC(=O)N(c1nc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cs1)C1CC1 734307185 WVWHNPVKGJSHTL-YVLHZVERSA-N 444.607 4.130 10 20 IICD O=C(c1ccc2c(c1)nc(O)n2C1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735519316 QCOAULCTJPNADM-FQEVSTJZSA-N 435.524 4.384 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)c2)CC1 739599415 QXUMNMSQRUFSOT-UHFFFAOYSA-N 435.977 4.079 10 20 IICD COc1ccc(SCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 740817154 AWEWXWKIDFYVEJ-UHFFFAOYSA-N 432.611 4.056 10 20 IICD O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 743381954 LOYRPNVSDVIMRJ-UHFFFAOYSA-N 436.361 4.311 10 20 IICD COCCN(Cc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCSCC2)cc1 746217013 ULQPHVODGOLSKA-UHFFFAOYSA-N 427.614 4.215 10 20 IICD CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746953865 WKRHLIDMXRSSTE-MRXNPFEDSA-N 449.382 4.037 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)oc1C 751127683 SNYAWSOSNQWCIY-UHFFFAOYSA-N 446.428 4.318 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)sc2C)cc1 754695135 UXIDPRDPYYPFKQ-UHFFFAOYSA-N 436.511 4.006 10 20 IICD C[C@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1O 757627529 GHKYAUFBLDXTFR-NSHDSACASA-N 426.325 4.461 10 20 IICD Cc1cc([C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)ccc1F 759288621 YEWYIHZFDAZHNE-QHCPKHFHSA-N 429.511 4.185 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ccccc2)c1Br 760177940 PAVOZOHWOUCTLX-UHFFFAOYSA-N 425.330 4.165 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1SCC(=O)N1CCCC1 764894075 CDRQDDPPCDLGNR-UHFFFAOYSA-N 425.598 4.129 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2F)C[C@@H](C)O1 765128890 XPYLVFUNYHLVRJ-HDICACEKSA-N 442.535 4.106 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O 769724560 GDYUVKPKGKPTDT-UHFFFAOYSA-N 439.434 4.231 10 20 IICD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3c(O)ccc(Cl)c3F)cc2)CC1 775190436 BTRHXELNCYIHOP-UHFFFAOYSA-N 434.895 4.212 10 20 IICD CN(Cc1cc(Br)cc(Br)c1O)[C@@H](CCO)c1ccccc1 775698975 WLOHTTOGMRQMHE-INIZCTEOSA-N 429.152 4.473 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(COc3ccccc3F)no2)c1)c1cccs1 780365983 AVHJPPKYRYHOGW-UHFFFAOYSA-N 447.469 4.023 10 20 IICD CCSc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 786656644 PMJKHZOSFWYWPW-UHFFFAOYSA-N 431.989 4.051 10 20 IICD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 786974875 XQCTUWPGKKALRP-OAQYLSRUSA-N 434.005 4.422 10 20 IICD CCOC(=O)c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(F)cc1C 793037116 UVKCYEDPGPXDTP-UHFFFAOYSA-N 441.503 4.055 10 20 IICD CC[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1O 796774722 HFFGOQKBSVBLQW-GOSISDBHSA-N 426.579 4.051 10 20 IICD CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 804148744 PUNPUPSANZUTLN-HJPURHCSSA-N 427.932 4.095 10 20 IICD CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cc(Cl)cc(Cl)c1O 806135764 WKPZGPPBPMTUSK-KRWDZBQOSA-N 441.355 4.416 10 20 IICD Cn1ncc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1-c1ccccc1 806782325 XKRMOTYYSRAGHS-UHFFFAOYSA-N 441.482 4.479 10 20 IICD CCOc1ccc(-c2noc(CCC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)cc1 807837873 FNWWVJSMQSWRLY-UHFFFAOYSA-N 436.295 4.397 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 809144136 FDUKJQUUGKIWMY-NDENLUEZSA-N 445.562 4.273 10 20 IICD CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)CC1 812233349 XOSYHZWHJNBBIC-UHFFFAOYSA-N 434.588 4.067 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1OC(F)(F)F 818019709 CGWJYPRWHLIPDZ-UHFFFAOYSA-N 428.476 4.396 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cc3ccccc3o1)c2[N+](=O)[O-] 916064986 CKKGTQDSWLEYPX-UHFFFAOYSA-N 426.384 4.046 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cl)c3N(C)C)cc2F)C[C@H](C)O1 916682251 IDLYAYKFPCDOIN-GJZGRUSLSA-N 434.943 4.480 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3ccccc3C(F)(F)F)cc2F)C[C@H](C)O1 917200594 GNWJZVWOEOPDDL-GJZGRUSLSA-N 440.437 4.153 10 20 IICD Cn1c2ccccc2c2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)sc21 917832038 GWBYEXUGWBUWHT-QGZVFWFLSA-N 446.576 4.025 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ncccc2c1 917845317 UZGGIOMDGRNPJX-UHFFFAOYSA-N 426.479 4.376 10 20 IICD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 918191390 GUGMUEDZGZXYGW-UHFFFAOYSA-N 445.400 4.260 10 20 IICD CCOc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918222964 BUDCMFPAMZJQRJ-QFIPXVFZSA-N 427.520 4.108 10 20 IICD Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(=O)c1ccco1 920882229 VKXVYGVSFZPWFK-GOSISDBHSA-N 433.508 4.168 10 20 IICD CCOc1ccc2c(c1)CN(C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CC2 1318092183 WOHQZSKUNWCQKL-QZTJIDSGSA-N 441.547 4.106 10 20 IICD COc1cc(-c2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=S)o2)cc(OC)c1OC 22366594 YDHGTHXPEVAUSV-UHFFFAOYSA-N 444.557 4.054 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nn3cnc4sc5c(c4c3=O)CCCC5)c2C)c1 27392013 HSJHCQPVULKEID-UHFFFAOYSA-N 432.549 4.437 10 20 IICD CSc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)n1 70040240 SHLGGWIKYVGVQX-NRFANRHFSA-N 442.629 4.022 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)CC2)cc1 108429928 ILVLOQSPIUKCCG-UHFFFAOYSA-N 436.552 4.017 10 20 IICD COc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1OCc1ccncc1 237248912 PBHYDZDUEAFUDK-UHFFFAOYSA-N 447.579 4.168 10 20 IICD CCc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)s1 728637645 CXAKYBMYXNUSKS-UHFFFAOYSA-N 428.554 4.002 10 20 IICD Cc1nc(Cc2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)cs1 731793490 JATDLTQGOXRSCZ-NTEUORMPSA-N 448.620 4.321 10 20 IICD CCN(CC)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 733890981 PSWDGHIPNIFDNA-QFIPXVFZSA-N 449.517 4.241 10 20 IICD COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 734018339 NMNLEPLKIPCTQO-WMZHIEFXSA-N 436.533 4.181 10 20 IICD C[C@H]1CN(c2ccc(CNc3nc(-c4ccccn4)nc4c3CCC4)cc2F)C[C@H](C)O1 735074718 ZZAZBNHFJAJQTB-IRXDYDNUSA-N 433.531 4.392 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2csc(-c3ccoc3)n2)cc1 737820940 MRAQHTONMSPPNP-NRFANRHFSA-N 425.554 4.219 10 20 IICD CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1c(O)ccc2cc(Br)ccc12 740863094 SPIHGLZVYIGKCK-UHFFFAOYSA-N 434.355 4.343 10 20 IICD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 741212155 NJGOSWVCJMKFIT-OAQYLSRUSA-N 428.621 4.149 10 20 IICD CCOc1ccc(O)c(CN[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c1 742392544 QMWKSCOREDJZLV-XMMPIXPASA-N 441.549 4.082 10 20 IICD CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742798546 PJDVQFALNBLFLF-AEFFLSMTSA-N 432.467 4.043 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccc(F)cc1 742799507 BPVRYLFKBJLWDQ-KRWDZBQOSA-N 444.457 4.320 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)nn1 743192763 YDYFPIGIOBXABF-NRFANRHFSA-N 434.496 4.496 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)cc1C 746361922 NOCJJPFZZDOLOT-VCHYOVAHSA-N 443.546 4.270 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nn(-c2ccc(F)cc2F)cc1O 748013206 AGXGLGUHSAUFEQ-UHFFFAOYSA-N 426.467 4.119 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cc(F)ccc1Oc1ccccc1 749731114 JOEBJMDZRNOZIX-UHFFFAOYSA-N 431.514 4.312 10 20 IICD CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 752715818 AMSWWSPXOLLQIR-HXUWFJFHSA-N 438.572 4.025 10 20 IICD Cc1cc(C(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1ccccc1Br 756015036 ORQULMQJJHGWRQ-UHFFFAOYSA-N 428.334 4.021 10 20 IICD C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(N2CCOCC2)cc1 758057546 VOHISUMENVAVRG-SFHVURJKSA-N 448.571 4.284 10 20 IICD Cc1nc(COc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2)no1 758284793 OHKKUJCFHGARDH-UHFFFAOYSA-N 446.507 4.459 10 20 IICD C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 759589260 QNYPZMSUPDMJPU-WCLQSUPFSA-N 439.464 4.113 10 20 IICD CCN(Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1)C(=O)OC(C)(C)C 761945235 HYWXUXZUQTWUAN-UHFFFAOYSA-N 442.541 4.018 10 20 IICD CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1 765100965 BOLSJFGIZBDAOP-HNNXBMFYSA-N 426.529 4.389 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCc4ccc(OC(F)(F)F)cc43)cc2)C1 765256072 SMCDDACDIIYMPD-UWJYYQICSA-N 433.474 4.064 10 20 IICD Oc1c(Br)cccc1CNC(=S)NCc1ccc(OC(F)(F)F)cc1 765993502 XBFGVTNYPZNFKY-UHFFFAOYSA-N 435.265 4.218 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccnc(Cl)c2F)c(C)n1-c1ccc2c(c1)OCCO2 766935776 WYIWJZPEMQLJSH-UHFFFAOYSA-N 444.846 4.093 10 20 IICD COc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCO2 767940683 KYRQXXQFCOUUED-YWZLYKJASA-N 447.482 4.088 10 20 IICD Cc1ccc(Cc2nc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)cc1 768343612 ZBCSZAJTOVTWNO-UHFFFAOYSA-N 439.556 4.073 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Br)c(F)c1 768509122 PTMGFZFKLWYRGQ-PBHICJAKSA-N 434.353 4.141 10 20 IICD Cc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3cnn(C(C)C)c3n2)cc1 768901297 ZIJZGNYCXROALC-UHFFFAOYSA-N 430.508 4.371 10 20 IICD Cc1cc(C(=O)CN2CCn3ncnc3C2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 770686052 DIXGHSVULFLNOR-UHFFFAOYSA-N 437.853 4.056 10 20 IICD CC[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc(Br)ccc1O 775510262 YXLLUSHWCBDMQC-QMMLZNLJSA-N 433.390 4.078 10 20 IICD CC[C@@H](C)[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)Nc1cccc(N2CCCC2)c1 776164686 JPQSHOWXWYEVIB-OSPHWJPCSA-N 441.572 4.153 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)cc21 776743153 CJPPWDUWPOFREY-UHFFFAOYSA-N 438.486 4.140 10 20 IICD C[C@H](Nc1cnn([C@H](C)C2CC2)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 777633269 OPZBVNFRQCDIPX-LSDHHAIUSA-N 428.492 4.069 10 20 IICD CCn1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(Cl)ccc21 777855242 LWCSCBMCBTXIRE-UHFFFAOYSA-N 439.943 4.082 10 20 IICD CN(CCCC(=O)c1ccc(Br)cc1)Cc1ccc(N2CCOCC2)cc1 781976869 VMEWUMDNWUNTOL-UHFFFAOYSA-N 431.374 4.381 10 20 IICD Cc1ccc(Br)cc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 784076061 YAQFQSLUZKHAPV-MRXNPFEDSA-N 432.362 4.155 10 20 IICD C[C@H](NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 786828780 ZNQJOBMFAAXOPE-SFHVURJKSA-N 439.556 4.039 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)CCc2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1 795915072 IXDGZIAWPDYNMK-INIZCTEOSA-N 443.450 4.233 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 797430287 XRNDRCXZHNLPMD-UHFFFAOYSA-N 425.341 4.105 10 20 IICD COc1ccc(CNC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c(O)c1 797646615 CMUWILHGAJVLSE-HXUWFJFHSA-N 448.445 4.306 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)c2nccs2)c(C)n1-c1cccc(Br)c1 801233779 CFAMPPYYQJLHMA-UHFFFAOYSA-N 448.342 4.133 10 20 IICD O=[N+]([O-])c1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1N1CCCCC1 802659290 IHYZHTIPBICDIC-UHFFFAOYSA-N 432.528 4.330 10 20 IICD CC1(C)CC[C@@H]2C[C@@H](NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c3cccc1c32 807291607 KYUYLZPKEODWCI-AUSIDOKSSA-N 429.564 4.095 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1COc2ccccc21 809378858 URSLVRTZCBSHFW-XWAFYUISSA-N 444.603 4.022 10 20 IICD CCN1CCN(C(=O)[C@@H](C)SC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CC1 814772882 HSDIMYVEFJDRHU-IIMQCXAKSA-N 445.635 4.157 10 20 IICD CC1=S=C(/C(O)=C(/C(=S)Nc2ccc(Cl)cc2)n2ccc(=[N+](C)C)cc2)C=C1 839396226 IAURUCMGLXTYEI-UHFFFAOYSA-O 431.006 4.007 10 20 IICD CC(C)c1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 914491539 ZPBFFKMKGUIDIJ-UHFFFAOYSA-N 428.444 4.424 10 20 IICD CSc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1NC(C)=O 914613745 JWGSLTQMEGVJAQ-UHFFFAOYSA-N 437.521 4.209 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 916382018 GREBEDQDGBFVCF-XMMPIXPASA-N 437.584 4.056 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 916682629 WDBHGXQGTRFIHW-UHFFFAOYSA-N 430.936 4.189 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)CC2)cc1 916710561 LHMSDLFGUJPDGZ-UHFFFAOYSA-N 436.556 4.066 10 20 IICD C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1)c1ccccc1 917709524 ZWUAXTQBMFEKAK-SFHVURJKSA-N 435.499 4.127 10 20 IICD C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 918075958 XVVYOPQOMWZMDQ-RDTXWAMCSA-N 437.462 4.258 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918082090 YVEOFNABYUBUJC-JBYIUTFZSA-N 443.538 4.495 10 20 IICD COc1ccccc1-c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1 918139809 DVYGFOPGMBQYNC-IYBDPMFKSA-N 439.487 4.033 10 20 IICD CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C(C)C)c1 918284491 HUKHLISQDBRLPL-UHFFFAOYSA-N 441.547 4.164 10 20 IICD Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)C2)nc1 918626660 LLWOPPPGWOIPSQ-LJQANCHMSA-N 434.515 4.428 10 20 IICD CC(C)n1ncc2c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc(C3CC3)nc21 919968310 BMCDIVCLSSKKEQ-UHFFFAOYSA-N 447.583 4.028 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919971067 MCFAXWPPAMOKEC-UHFFFAOYSA-N 443.519 4.064 10 20 IICD O=C1/C(=C/c2cccc3c2OCO3)SC(=S)N1C1CCN(Cc2ccccc2)CC1 920472345 LLQYOLUMNIVLCE-MOSHPQCFSA-N 438.574 4.281 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C2CC2)cc1 921122170 SDKJSJGBWQYBPB-GOSISDBHSA-N 428.527 4.231 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(Cc4cccs4)C3=O)cc2F)CC1 1321782798 AARNRESBFJLSTG-LDADJPATSA-N 433.599 4.040 10 20 IICD Cc1sc(NS(=O)(=O)c2cnc3c(cnn3C)c2)nc1-c1cccc2ccccc12 1324210396 OPKUTDCSWINLQP-UHFFFAOYSA-N 435.534 4.354 10 20 IICD Cn1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)c1 1787238447 NOIHGLBJEJKRCV-UHFFFAOYSA-N 439.899 4.151 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@@H]4F)C3)CC2)cc1 1806459743 FLCNDEPLNOEIMT-PKTZIBPZSA-N 437.559 4.297 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 40006445 VSDSKFILEAGWQT-PDGQHHTCSA-N 431.510 4.471 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4ccn(CC(=O)N(C)C)c4c3)ccc21 465156538 IDBWNBQVISWPHO-UHFFFAOYSA-N 446.551 4.200 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1 483673765 SQUCTCWXGDESJZ-UHFFFAOYSA-N 446.532 4.130 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(NC(=O)CC(C)C)c3)CC2)cc1 726613557 JDBRIFAZTSUHCZ-UHFFFAOYSA-N 438.572 4.148 10 20 IICD Cc1ccc(CN(Cc2cc(=O)n3c(C)csc3n2)c2ccc3c(c2)OCCO3)s1 727150579 WTFCMFDPWUVOIG-UHFFFAOYSA-N 439.562 4.412 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 730118537 YEFSRJTYQLMKEV-SFHVURJKSA-N 430.593 4.122 10 20 IICD C[C@@H](C(=O)NCc1cccs1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731035954 BXOZSZSMRQHWMF-INIZCTEOSA-N 429.586 4.230 10 20 IICD CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731037250 YNTLGKHGBYSCBZ-QGZVFWFLSA-N 441.576 4.269 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 731284501 XKKUJGPKORYNAA-OAQYLSRUSA-N 431.964 4.041 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccccc3S(=O)(=O)C(F)F)cc2F)C[C@H](C)O1 731979461 RJKYAHLSCRMYJE-KBPBESRZSA-N 428.476 4.048 10 20 IICD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)/C=C\c1cnc(C)s1)CCC2 732736905 CPTCXRLMOVZGMX-HJWRWDBZSA-N 438.505 4.403 10 20 IICD CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735687986 WOHRWUSSUBORTO-JXFKEZNVSA-N 439.547 4.397 10 20 IICD COc1cc(N(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)cc(OC)c1OC 741799280 WEKZBKIEUOOEQM-QFIPXVFZSA-N 426.538 4.116 10 20 IICD CCOc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742753094 IVWGRYXDIBNCSH-NRFANRHFSA-N 427.545 4.147 10 20 IICD COc1ccc(C[C@H]2CCCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C2)cc1 743554463 FRPCPISQDNMSPD-JOCHJYFZSA-N 439.625 4.413 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccc(O)c(Cl)c2)NC(=O)OC(C)(C)C)cc1 743725181 HIIRXJHWRXYGPC-SFHVURJKSA-N 433.936 4.107 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccccc2N2CCOCC2)cc1 744888106 ZAYBYTCLOKSXNC-UHFFFAOYSA-N 448.567 4.094 10 20 IICD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 746038122 MTJUSSDOUSDUMN-UHFFFAOYSA-N 445.585 4.101 10 20 IICD Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccccc1Br 754766377 XEDXLGVBXPZMMP-HNNXBMFYSA-N 431.330 4.024 10 20 IICD C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O 761160644 PYWGGTKNKATDLJ-PEBXRYMYSA-N 448.350 4.358 10 20 IICD CC(C)n1cc2c(n1)[C@H](NC(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 765886160 KXUOTKXGGMZYJX-FXAWDEMLSA-N 447.530 4.411 10 20 IICD COc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766237127 IQRKSAOAJPXPDM-IAGOWNOFSA-N 433.499 4.272 10 20 IICD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 766599555 JVECWCQZLWZWJT-MAUQACMESA-N 425.592 4.470 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)n2)s1 767675122 INAJYFVKXYFEMZ-UHFFFAOYSA-N 435.552 4.163 10 20 IICD O=C(COc1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2)Nc1cccnc1 768011940 VVJJSZIPPXHCHJ-UHFFFAOYSA-N 446.507 4.005 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773621525 BNRGARKBFFSDII-YWZLYKJASA-N 432.362 4.359 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cc(F)c(Cl)cc1Cl 774953087 HZUQDMSNTRRRHB-CYBMUJFWSA-N 436.314 4.002 10 20 IICD Cc1cc(CC(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1 779692287 DUMYENUVJBKAOG-FQEVSTJZSA-N 442.947 4.397 10 20 IICD Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4ccc(O)c(O)c4)cc3)o2)c1 782659426 GYGTTYHRTOJFGI-UHFFFAOYSA-N 430.416 4.163 10 20 IICD CCCCCn1nc(C)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896177 LGZYFAKQHWXYCR-UHFFFAOYSA-N 426.561 4.387 10 20 IICD COC(=O)N(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783486537 OCCYBIPLRFYNIN-QGZVFWFLSA-N 446.507 4.204 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(SC)c1C 785193482 FZTWJXDJOYFKRV-UHFFFAOYSA-N 437.359 4.172 10 20 IICD O=C(NCc1cccc(Cl)c1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O 786933201 GHALNZPFIRTHMG-UHFFFAOYSA-N 433.291 4.137 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2F)C[C@@H](C)O1 790671511 HFOURZGLZIMIJS-BCSOIMDTSA-N 444.378 4.165 10 20 IICD COC(=O)c1csc(-c2cccc(CNCc3cccc(Br)c3O)c2)n1 790996373 VTYRUDCPSKYCCN-UHFFFAOYSA-N 433.327 4.355 10 20 IICD O=C(c1ccncc1)N1CCC(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1 796271612 PEYXXGVMVPDPDR-UHFFFAOYSA-N 426.564 4.039 10 20 IICD CC1CCN(c2ccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 796762305 OPJBHGAJYUGGGD-WTIAFYNJSA-N 431.621 4.331 10 20 IICD CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O 806157508 GNFJEBXQBBQIQE-MRXNPFEDSA-N 433.313 4.122 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccc(N(C)C)cc1 807672677 FWLJRRNURFYHBM-AWEZNQCLSA-N 434.367 4.428 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1C 915219218 TXFRFJSQWKVSCL-UHFFFAOYSA-N 432.523 4.105 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc3ncsc3c1)c2[N+](=O)[O-] 915871457 VEYTXERWAYIROI-UHFFFAOYSA-N 429.413 4.232 10 20 IICD CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl 915903870 AQKMDDKVSBCDEB-GHTZIAJQSA-N 431.964 4.039 10 20 IICD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916678228 QDYCWCDASKZGTI-HXUWFJFHSA-N 437.540 4.150 10 20 IICD CCCCN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(OC)cc1 917117785 VSADECXQDJPRBB-AHWVRZQESA-N 449.595 4.302 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)Nc3c(C(C)=O)oc4ccccc34)CC2)cc1 917208661 KSAYRGAPQMWQLH-QGZVFWFLSA-N 435.524 4.183 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1C 918661109 LFUXWZCSOUGSNP-UHFFFAOYSA-N 445.563 4.032 10 20 IICD O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1322109997 HVPMIFXYYJSUIH-QGZVFWFLSA-N 427.451 4.271 10 20 IICD O=C(C1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830734628 AMASUBNYXAPQLJ-IBGZPJMESA-N 434.964 4.175 10 20 IICD COCCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 96942474 QBJHQBWZPPRNOA-UHFFFAOYSA-N 436.940 4.490 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CCn1c(-c2ccc(OC)cc2)n[nH]c1=S 96968821 UTUAXKVGJZSAAQ-UHFFFAOYSA-N 439.585 4.121 10 20 IICD OCC1CCN(c2ccc(CNc3nc4ccccc4nc3N3CCCCC3)cc2)CC1 301852675 BTJYWZNOOSVYRV-UHFFFAOYSA-N 431.584 4.441 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C3(c4cccc(OC)c4)CCCC3)cc2F)CC1 303385608 NONWTHZSKBVGIN-UHFFFAOYSA-N 439.575 4.104 10 20 IICD COc1ccc2oc([C@@H](C)NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c(C)c2c1 553629791 OULGOXMXUDEORX-MRXNPFEDSA-N 433.508 4.044 10 20 IICD Cc1cc(-c2nc(C3(c4ccccc4)CCOCC3)no2)ccc1NC(=O)C1=S=CC=C1 571807368 IYWMZGWVORYQMF-UHFFFAOYSA-N 445.544 4.358 10 20 IICD CC(=O)NC1CCC(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 726166478 QDATZHARZGBNHX-UHFFFAOYSA-N 432.362 4.034 10 20 IICD COc1ccc(N2CCCN(Cn3nc(Cc4cccc(F)c4)oc3=S)CC2)cc1 727818834 IXLQPWJSKOMWHZ-UHFFFAOYSA-N 428.533 4.114 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(C)cc1 728082108 NDLHRFVXWKASSP-SFHVURJKSA-N 428.554 4.406 10 20 IICD COc1ccc2c(c1)CCCN(C(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)C2 728597307 NZBLUMTUQGBKJM-ROUUACIJSA-N 441.547 4.106 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1F 731363634 KFDQLLVVXAATFM-UHFFFAOYSA-N 432.584 4.042 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 732216956 CHJQNQCOSQFKPM-UHFFFAOYSA-N 428.476 4.146 10 20 IICD C[C@@H](Oc1ccccc1Br)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735519190 PGRQTNZVLQZFSY-NVXWUHKLSA-N 434.330 4.130 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccncc1)C1CC1 742360789 RFYLHGWWQKRQEY-QGOAFFKASA-N 443.619 4.316 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1)C1CCCCC1 742416533 AYZDMKYIXFHILE-UHFFFAOYSA-N 433.552 4.035 10 20 IICD Cc1nc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)sc1C 743783261 BCTGJLOXSMDSDS-ZROIWOOFSA-N 437.637 4.119 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C 744473691 IDYVPRGOIOOICU-HNNXBMFYSA-N 443.455 4.038 10 20 IICD O=C(NCCc1c[nH]c2cc(Cl)ccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 745291678 PRHINLUJWKWDMQ-LJQANCHMSA-N 427.932 4.460 10 20 IICD Cc1cccc([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 745692260 TVNXEDAOHWUBAA-RDGATRHJSA-N 448.611 4.442 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2sc(N3CCCC3)nc2Cl)cc1 746594614 FEDBCIAVGLOOPV-SFHVURJKSA-N 449.020 4.284 10 20 IICD CCCNC(=O)[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1 747797933 IGDLFMPQSIYTIX-LJQANCHMSA-N 434.536 4.212 10 20 IICD CCOCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C[C@H]1CCCCO1 752852471 KTMNUXSSVQIEEK-JOCHJYFZSA-N 427.593 4.010 10 20 IICD Cn1nc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc2c1=O 753489452 LHSQQWBUBZDZNG-UHFFFAOYSA-N 441.447 4.144 10 20 IICD Cc1cc(C(=O)N2CC[C@H](c3nccn3C)C2)c(C)n1-c1cccc(Br)c1 756130484 IUVCTWHXEYOFKP-INIZCTEOSA-N 427.346 4.220 10 20 IICD CCOc1ccc(Cl)cc1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 756745461 PCVHGBKCISDIIC-HXUWFJFHSA-N 432.948 4.378 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1 757608769 GOEWPBBSDJUWFJ-QGZVFWFLSA-N 439.533 4.467 10 20 IICD CCC(CC)(C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 759005631 ZZBMRRTULGRAGQ-UHFFFAOYSA-N 440.584 4.257 10 20 IICD O=C(Nc1ccccc1)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 759673936 HBYIQKKVMFMWQZ-HSZRJFAPSA-N 430.504 4.466 10 20 IICD C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCCCC2)cc1 764946350 OXDKCEUEOSNXKZ-JOCHJYFZSA-N 434.628 4.305 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Br)c1F 767687481 UNYYNJHHWMOMRY-UHFFFAOYSA-N 427.701 4.008 10 20 IICD O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 779507999 AUVLBLIUOIQVKJ-OOYWPUHTSA-N 435.307 4.438 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F 784026774 ZYGKWDWRKWDTED-UHFFFAOYSA-N 426.460 4.266 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)cc2)CC1 787853031 CVFGCUZXVVUFHI-KRWDZBQOSA-N 445.510 4.018 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 791246612 PFVUKGCFWVIQOI-UHFFFAOYSA-N 433.892 4.250 10 20 IICD CCc1c(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1-c1ccccc1C 792488619 POUJMLTYYBAKAQ-UHFFFAOYSA-N 433.556 4.496 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)o1 796732332 MXLIFGBQEGDDTL-IBGZPJMESA-N 447.535 4.216 10 20 IICD CC1CCN(c2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 796762308 OPJBHGAJYUGGGD-WWPVKYPJSA-N 431.621 4.331 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F 800047936 UNKYTAYQLJYPOI-UHFFFAOYSA-N 446.887 4.469 10 20 IICD Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800636904 QKBQHKNXDSERDV-ZDUSSCGKSA-N 435.355 4.188 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 801548839 SMICTYHKBZQNKK-UHFFFAOYSA-N 430.495 4.352 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3ccccc3Cl)cc2)CC1 805020055 OKXXYQWMPBJHKI-SFHVURJKSA-N 427.976 4.412 10 20 IICD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 806878538 RUGVQHIVYSHCIW-KRWDZBQOSA-N 448.470 4.049 10 20 IICD CN(C(=O)NCCCSc1nccs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806958791 MVXXNXYJHCQPPJ-LSDHHAIUSA-N 432.398 4.232 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)cs1 807513445 NUOBVPDEJFXOJF-UHFFFAOYSA-N 436.320 4.386 10 20 IICD Cc1c(Br)cccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513646 RFPHDWPTYIGZEL-UHFFFAOYSA-N 432.101 4.025 10 20 IICD COc1cccc(F)c1[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807623937 SPCPZPWRUFONHH-MRXNPFEDSA-N 428.504 4.079 10 20 IICD COc1cc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC 808126967 ZJTXVWWDTQUYGZ-GOSISDBHSA-N 428.363 4.089 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nc4ccccc4cc3Br)CC2)cc1 808286990 GDGCMDQCXWLURF-UHFFFAOYSA-N 440.341 4.358 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1COc2ccccc21 809378856 URSLVRTZCBSHFW-DZBQEORWSA-N 444.603 4.022 10 20 IICD COCc1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 811823113 RSMQDGAPAWGPTD-UHFFFAOYSA-N 436.942 4.346 10 20 IICD CCc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1O 813466089 ZYWZHEPPXVXGHR-HXUWFJFHSA-N 427.545 4.016 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H](c1ccccc1)C1CC1)c2[N+](=O)[O-] 824260821 BXUYJYQGGFKJJV-OAQYLSRUSA-N 426.428 4.251 10 20 IICD COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCN(C)CC3)cc2)c1 877843483 NRVYZXCMOAMAAB-RUZDIDTESA-N 428.536 4.218 10 20 IICD Cc1c(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C 915300401 JGELKAIMYSQXER-UHFFFAOYSA-N 433.556 4.139 10 20 IICD COCCOc1cc(C)ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 916696746 ISBYIIAFZPROOI-ROUUACIJSA-N 445.535 4.095 10 20 IICD COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 917074170 RSVHVHDHONUTBG-XMMPIXPASA-N 437.584 4.098 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918028071 RLYUTOMCEUXLID-SFHVURJKSA-N 442.991 4.488 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c2C)cc1 918680561 RPPWGJSQTNBTCW-UHFFFAOYSA-N 437.565 4.071 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCCN2C(=O)NC(C)(C)C2=O)cc1 918829374 CJNCPCNUOGNZMJ-UHFFFAOYSA-N 437.500 4.045 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nnc(C(F)F)n4c3)c2C)cc1 1116303808 UYAXNQGLFQTUHK-UHFFFAOYSA-N 438.434 4.423 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1 1792301337 SBYNRWBNMVRIPH-WUXMJOGZSA-N 436.508 4.141 10 20 IICD COC(=O)c1sc2nc(CN(Cc3ccccc3)c3ccc(OC)cc3)[nH]c(=O)c2c1C 10395183 LLBWDUYVGPEONZ-UHFFFAOYSA-N 449.532 4.295 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 18482224 MMDRUKLSXITDML-UHFFFAOYSA-N 439.560 4.236 10 20 IICD Cc1cccc(OCc2nn(CN(C)Cc3ccc(N4CCOCC4)cc3)c(=S)o2)c1 23855256 NNEGMIYDAXOUDN-UHFFFAOYSA-N 440.569 4.019 10 20 IICD Cc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(C)n1-c1ccc(Br)cc1 24490152 FZVMFBPNFZQULA-UHFFFAOYSA-N 426.314 4.137 10 20 IICD COc1ccc2nc(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)c(C)c4)n3)ccc2c1 545606639 XBTZIUGIXSCIDM-UHFFFAOYSA-N 442.500 4.485 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3csc(-c4cccc(OC)c4)n3)SC2=S)cn1 726197347 RDXKCQXHAIQCHW-PXNMLYILSA-N 428.564 4.441 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 729064994 XSLNZXVTBXZDMQ-OAHLLOKOSA-N 436.464 4.018 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730530956 HABYDXRAZPDLLU-UHFFFAOYSA-N 448.470 4.239 10 20 IICD O=C(c1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCOCC1 731899569 MIDVHOIRSAILER-UHFFFAOYSA-N 437.540 4.231 10 20 IICD C[C@H](NC(=O)Cc1ccc(Cl)cc1Br)c1ccc(N2CCOCC2)cc1 733218601 ZBIIJFUEPAYMMV-AWEZNQCLSA-N 437.765 4.359 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OC(F)F)c1 735328845 GBBBGDVBLVSFIJ-OMCISZLKSA-N 437.445 4.431 10 20 IICD O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735516119 JOOINNWSMRGQBF-KRWDZBQOSA-N 447.413 4.282 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 742637295 MZDTUAAPGMIHEK-MRXNPFEDSA-N 449.642 4.193 10 20 IICD CC[C@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CCS1 742923297 JUYRWFZGCSLJAW-SFHVURJKSA-N 426.607 4.336 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(N2CCSCC2)cc1 743185557 SYCLPIJZRWISBS-UHFFFAOYSA-N 428.627 4.115 10 20 IICD O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1nc(CC2CC2)no1 743278047 ZBTLYTHEFAPVKD-QPEQYQDCSA-N 436.356 4.186 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 743338840 KHGGFPXYXBRFDP-GOSISDBHSA-N 430.932 4.462 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1 743555465 ZCYAONAXOWEPTB-IBGZPJMESA-N 445.032 4.361 10 20 IICD COc1ccccc1O[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743692304 WNKBWBJNSYIKDR-IRXDYDNUSA-N 449.498 4.032 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c(Cl)cc1Cl 747855943 DNXKHVBQDLFWMC-UHFFFAOYSA-N 444.321 4.099 10 20 IICD Cc1c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cccc1C(=O)N1CCCC1 748995828 WTEQUTYWHXJLLC-HXUWFJFHSA-N 437.540 4.150 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1)c1ccccc1 749189807 CTXSTFFSNVHRIE-DEOSSOPVSA-N 436.600 4.079 10 20 IICD C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 750280971 DUENHMHPCOBZII-INIZCTEOSA-N 439.516 4.318 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)oc2ccccc12 750618501 OKJPUFIXUULUOJ-OAHLLOKOSA-N 428.435 4.102 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cc(Br)c4c(c3)OCO4)cs2)cc1 751932065 WXAAKUJIZGIAOM-UHFFFAOYSA-N 447.310 4.164 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](Oc2ccccc2Cl)C1 752150788 UIIKVYYIGTTZGD-IBGZPJMESA-N 431.989 4.256 10 20 IICD C[C@@H](NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 753763061 MGWIENYRINHSSQ-KOSHJBKYSA-N 435.584 4.350 10 20 IICD O=C(N/C(=C/c1cccnc1)C(=O)N1CCc2c1cccc2C(F)(F)F)c1ccccc1 760130779 ZUYITQUHVSHUDR-XSFVSMFZSA-N 437.421 4.461 10 20 IICD COc1ccccc1[C@H](CNC(=O)NCc1cccc(Br)c1O)OC(C)C 764804905 JUCNCWIJOGWKKH-SFHVURJKSA-N 437.334 4.129 10 20 IICD COc1ccccc1[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nccn1C 764813106 CKIJNOVKBWUFOM-SBUREZEXSA-N 440.975 4.359 10 20 IICD C[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1Cl 764929546 RTONHWYKXVEORP-CQSZACIVSA-N 429.870 4.364 10 20 IICD COc1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 766160964 HVWVBHWVSISADQ-LDADJPATSA-N 446.619 4.363 10 20 IICD CC(C)(C)n1ncc2c(O)nc(NNC(=S)Nc3ccccc3Oc3ccccc3)nc21 769790840 FOZSJUZBGLFANE-UHFFFAOYSA-N 449.540 4.393 10 20 IICD C[C@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773051034 WINXGXFCGYMAFL-CYFREDJKSA-N 442.003 4.061 10 20 IICD CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 773763297 PGXWPMKOLBLCKO-MRXNPFEDSA-N 425.554 4.246 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1 774376900 QVDBCYGLHFYBHV-DEOSSOPVSA-N 433.552 4.388 10 20 IICD C[C@H](NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 774394313 DXWVNKQMXQHZOT-HOCLYGCPSA-N 442.909 4.096 10 20 IICD C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775253943 CRTLDWQXRWFWEN-MRXNPFEDSA-N 436.383 4.139 10 20 IICD C[C@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1ccc(N2CCOCC2)c(F)c1 776833028 LSDYIEYKRQYXHR-ZWKOTPCHSA-N 437.519 4.232 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 779546799 ZZCJGPXYHFRYAA-ZGNKEGEESA-N 448.544 4.186 10 20 IICD Cc1oc2c(CN3CCOCC4(CCOCC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 784044108 RTZMSYRRPNZDQN-UHFFFAOYSA-N 435.520 4.103 10 20 IICD COCCc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 786200750 DQVMOMJMUPYWCE-UHFFFAOYSA-N 437.462 4.053 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 786725377 ULKHDRDEVDBOOK-UHFFFAOYSA-N 435.490 4.319 10 20 IICD Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2)c1 787287849 GLPLMYNNPFWMMO-LJQANCHMSA-N 446.551 4.050 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1SCCc2ccccc21 791250252 OOJWUWHHIZQZBW-QHCPKHFHSA-N 426.582 4.406 10 20 IICD Cc1ccn(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc2)n1 793044014 XRKFIKFFHYSGST-IBGZPJMESA-N 439.519 4.496 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOC4=O)cc3)cc2Cl)C1 800046741 CBZLYONPUCVJGC-MRXNPFEDSA-N 427.932 4.463 10 20 IICD CSCc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 804968654 HUFBVFULHVHJDJ-IAGOWNOFSA-N 431.577 4.302 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806739182 CXHZOTKUDYXWAJ-UHFFFAOYSA-N 444.526 4.456 10 20 IICD CN(C)CCN(Cc1ccco1)Cc1cc(Br)cc(Br)c1O 809746251 OYONIJMSFLHAON-UHFFFAOYSA-N 432.156 4.074 10 20 IICD Cc1cc(-c2nnc(N3CCn4c(C(C)C)nnc4[C@@H]3C)n2C)c(C)n1-c1ccccc1 809872964 SOZUXFFIAWCJJX-SFHVURJKSA-N 430.560 4.186 10 20 IICD OCC1CCN(c2ccc(CN[C@@H]3CCc4cccc(Br)c4C3)cc2)CC1 815120575 TWEACZBAQCFIKF-HXUWFJFHSA-N 429.402 4.305 10 20 IICD Cc1cc(CCNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c(C)n1-c1ccccc1 916221107 OQDXLYTZGZNFJH-UHFFFAOYSA-N 430.552 4.110 10 20 IICD C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C[C@@H](C)O1 916694469 CCAMQYLNJNVHGC-SFHLNBCPSA-N 439.556 4.219 10 20 IICD CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918206268 AWMLFMRBWNQVGY-IBGZPJMESA-N 425.573 4.243 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)c1 918264332 BLVDRWOQGFZZKQ-UHFFFAOYSA-N 445.519 4.343 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC(c1ccccc1)c1ccccc1 920867912 XHLQVBCVCZQIAA-YADHBBJMSA-N 443.591 4.468 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 921077930 SBTAEVCJXLKIGZ-UHFFFAOYSA-N 448.361 4.066 10 20 IICD COc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 1325026284 KYNPRKKXTBCZGI-IPMKNSEASA-N 443.563 4.221 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccncc2Cl)C3)cc1 1845398973 ZDTHKNMDGLYCAR-UHFFFAOYSA-N 448.954 4.273 10 20 IICD O=C(NCc1ccccc1OCC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 195556378 JTBPAYCDMUTCMC-SFHVURJKSA-N 438.446 4.224 10 20 IICD C[C@@H](Nc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-])c1ccccn1 437011337 VJCIGRSFKFNESF-MRXNPFEDSA-N 447.495 4.268 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)n(C)c2ccccc12 472815541 ZLOXMESSLSMUOM-OAHLLOKOSA-N 438.597 4.349 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)n1-c1nccs1 727177166 XBWLGDLICFTNFQ-MHWRWJLKSA-N 434.656 4.340 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 727476163 OIPRPKVJMIRNSA-NRFANRHFSA-N 449.979 4.315 10 20 IICD O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccccc1C(=O)NCc1ccco1 731848101 RUANTYBKCSFENG-UHFFFAOYSA-N 447.535 4.299 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)OC[C@H]2CCCCO2)cc1 731885817 WVMFXYRQNZKHEG-YADARESESA-N 426.557 4.269 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCNc1ccccc1 732106811 UDDNMAHWCYZJEK-OBGWFSINSA-N 445.635 4.348 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 732449556 MMLQHLFAQRWWSR-NRFANRHFSA-N 428.964 4.133 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1 732477163 DDCUMEMGWKIDJS-UHFFFAOYSA-N 437.927 4.240 10 20 IICD Cc1cc(CC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c(C)n1-c1ccc(Cl)cc1 732776336 QHOWUQDWUSZKGC-JOCHJYFZSA-N 427.976 4.294 10 20 IICD CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735687991 WOHRWUSSUBORTO-UZLBHIALSA-N 439.547 4.397 10 20 IICD COc1cccc(Nc2ccccc2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 736673736 UBDWXDLUSFINEZ-UHFFFAOYSA-N 449.526 4.469 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 740916369 CFOLNSUHXIGMBI-SFHVURJKSA-N 446.473 4.040 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)cs1 742799527 BUYJGDOLBCFXPZ-OAHLLOKOSA-N 432.496 4.447 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1)C1CCCCC1 743341961 WUCQGEVKYQJJCV-UHFFFAOYSA-N 430.574 4.149 10 20 IICD O=C([C@@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1ccco1)Cc1ccccc1O 743431070 QEUNPDABCYPWGE-GOSISDBHSA-N 448.548 4.435 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)ccc2C)c1 743913083 DPJCCBSUVZYYCN-UHFFFAOYSA-N 432.524 4.120 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNC(=O)c4ccccc4)C3)cc2)CC1 748972302 YRPUWGBABMLNKY-QHCPKHFHSA-N 448.611 4.275 10 20 IICD COc1ccc(C(=O)CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1F 751366311 XHZYWSLSXHWWGV-NRFANRHFSA-N 442.531 4.071 10 20 IICD CC(C)[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1 751612132 MYTUGGPMJFVPRG-RXVVDRJESA-N 432.515 4.391 10 20 IICD CCc1nc([C@@H](C)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 754789780 GAHWODNCIDWFGK-ZIAGYGMSSA-N 433.533 4.159 10 20 IICD COC(=O)c1c(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)sc(C)c1C 756326267 ILGSXSZFVHVIGV-UHFFFAOYSA-N 428.510 4.091 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(Br)cc(F)c1O 756708322 POAPLIYJAHQTLF-BMIGLBTASA-N 427.701 4.403 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1NS(C)(=O)=O 756869354 UBATZBOKNBPCMV-VIFPVBQESA-N 449.754 4.361 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 757552709 XBSIQBCVJLULAF-UHFFFAOYSA-N 434.514 4.462 10 20 IICD CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncc(C(C)(C)C)s2)cc1 759713635 JZRNNAOKYUVMCQ-CYBMUJFWSA-N 441.644 4.247 10 20 IICD C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N2CCOCC2)cc1Cl 760027568 AEBISKXWALYICU-AWEZNQCLSA-N 443.396 4.084 10 20 IICD COc1ccsc1S(=O)(=O)Nc1nc(-c2cccc(Br)c2)cs1 760303488 DXVUGOAKAJKCPV-UHFFFAOYSA-N 431.358 4.444 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)c(F)cc1F 760318070 QFSCXQGDTAVHBK-UHFFFAOYSA-N 449.504 4.427 10 20 IICD Cc1cccc([C@H]2NC(=O)N(C3CCN(c4ccc(OC(F)F)cc4)CC3)C2=O)c1C 761160814 RUQOXSSREBIYIK-HXUWFJFHSA-N 429.467 4.167 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccnc(O)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1 762849810 SHDYKNLWAWEORP-UHFFFAOYSA-N 434.370 4.133 10 20 IICD CCOc1cc(Br)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 764243379 QEDXFYWXLXGQEN-UHFFFAOYSA-N 448.361 4.348 10 20 IICD C[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc(N(C)C)cc1 765288634 YXCCAAWGSXVBFW-GOSISDBHSA-N 441.572 4.221 10 20 IICD Cc1c([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nnn1-c1ccccc1 766238513 ULOFDNHRJRDELL-AEFFLSMTSA-N 427.499 4.497 10 20 IICD O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767689965 LEYYPPNJIMNESM-GOSISDBHSA-N 448.560 4.422 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1)C1CCCCC1 767937845 FERLDIANOHXBKX-JWQCQUIFSA-N 442.648 4.023 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 769966101 DQFHWBJXIFTZIQ-IBGZPJMESA-N 435.568 4.109 10 20 IICD CCOC(=O)c1c(NC(=O)CCN[C@H](C)[C@@H]2CCOC2)sc(C)c1-c1ccccc1 771815534 WFBFUXIJLFCNCS-CRAIPNDOSA-N 430.570 4.243 10 20 IICD CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772068348 JSZCLJLORRLMQG-UHFFFAOYSA-N 435.450 4.261 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccc(N(C)C)cc1 773859520 VMDKJZCURKNQMV-GOSISDBHSA-N 445.567 4.412 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)c1O 774937697 QLFXCQFDVSYIHV-SSEXGKCCSA-N 426.494 4.370 10 20 IICD C[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775255405 OMJKNHRGLPDYRW-HOTGVXAUSA-N 436.383 4.358 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1F 780429127 KJDAQDRLIQUPRH-UHFFFAOYSA-N 436.572 4.261 10 20 IICD Oc1cc2c(cc1CN[C@H](Cc1ccccn1)c1ccc(Br)cc1)OCO2 788969456 HZGKGSLMWUNIIU-GOSISDBHSA-N 427.298 4.352 10 20 IICD CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCc2ccc(N(CC)CC)cc2)n1 790227205 HELVDXPNLVYDGR-LJQANCHMSA-N 430.574 4.213 10 20 IICD COCCCC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 792286218 KTPBZWHHSGBGCD-XMMPIXPASA-N 425.573 4.475 10 20 IICD CCc1c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccccc1Cl 792486301 LPDYEMMWKSEPFI-UHFFFAOYSA-N 439.947 4.451 10 20 IICD CC(C)C[C@H](C)n1nccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 792804185 RCFOFHBLPDVUOC-AWEZNQCLSA-N 448.570 4.310 10 20 IICD COC(=O)c1cc2c(cc1F)NC(=O)/C2=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 794739414 PENUYAGUNTVTOT-DHDCSXOGSA-N 425.416 4.004 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802555966 HHYNKQMFRAVNOJ-UHFFFAOYSA-N 428.945 4.093 10 20 IICD CN(C)CCCOc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 805064633 AQQKUCSLKNROCG-UHFFFAOYSA-N 426.344 4.029 10 20 IICD O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 815017210 GWELPASQBFKXBF-GOSISDBHSA-N 444.931 4.067 10 20 IICD CN1CCN(C(=O)c2ccc(CN[C@@H](CCc3ccccc3)c3ccccc3O)cc2)CC1 815560010 WECCKIANHFUIBP-SANMLTNESA-N 443.591 4.244 10 20 IICD COc1cccc(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 916071213 QALAYSNKIYNOEU-NBVRZTHBSA-N 446.619 4.097 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 916088752 GYYDAOOPIKQEFH-UHFFFAOYSA-N 442.440 4.416 10 20 IICD O=C(COc1ccc(F)cc1Cl)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456752 PQBLXJWZOYTVOU-UHFFFAOYSA-N 446.828 4.030 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1 917709448 WZGMYCBKKNWWDE-UHFFFAOYSA-N 435.337 4.019 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC[C@H]1Cc2ccccc2O1 918952269 LEVRTHRHWRVHDU-LJQANCHMSA-N 431.448 4.084 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(=O)c1ccccc1 919968433 OGWDVMFRCTUJSP-UHFFFAOYSA-N 428.532 4.056 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1F 1318332589 SMZIYISOEVBQBZ-HSZRJFAPSA-N 438.547 4.329 10 20 IICD O=C(COC(=O)c1ccn(-c2ccncc2)n1)Nc1ccc(N=Nc2ccccc2)cc1 1326454243 FBZHDHGEBREKAV-UHFFFAOYSA-N 426.436 4.478 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(F)F)cc3)n2)cc1 1327138382 QNWCSHSGRGRUOE-UHFFFAOYSA-N 437.493 4.185 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C)CC2)C3)cc1 1780986859 JNPDCNBXIJDLSH-YIXXDRMTSA-N 449.595 4.022 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3sccc3[C@H]2C)c([N+](=O)[O-])c1Br 14271715 DITPGTKMEXKFDB-MRVPVSSYSA-N 428.264 4.459 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 302901656 RZSAPIXFJYYLLY-UHFFFAOYSA-N 425.573 4.041 10 20 IICD CCCN(CC)C(=O)c1ccc(C(=O)Nc2c(C3=S=CC=C3)nc3ccccn23)cc1 511881268 ZRINBMFWDOBIQH-UHFFFAOYSA-N 432.549 4.084 10 20 IICD COc1ccc(N2CCC(NC(=O)NCC3(N4CCCCC4)CCCCC3)CC2)cc1 726702671 KQTCXDCSPAFDSD-UHFFFAOYSA-N 428.621 4.152 10 20 IICD COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 730172903 BALHJLGXWXBUFO-NLFBCNDMSA-N 426.532 4.253 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1F 731403173 FBJBCMMYCMZVHF-MRXNPFEDSA-N 428.508 4.189 10 20 IICD CC(C)(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC(=O)OC(C)(C)C 739563382 JRGJFBFYVLLUAV-UHFFFAOYSA-N 441.519 4.066 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(-c4ccoc4)no3)c2C)c1 740285376 SDXJZHJWRKXUFM-UHFFFAOYSA-N 433.464 4.404 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccccc1 742797817 HEHHUYHRMAXEMW-QGZVFWFLSA-N 426.467 4.181 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(C)nn4)cc3)CC2)cc1 743195753 FLIVJOGYMQVLTC-UHFFFAOYSA-N 433.512 4.376 10 20 IICD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)s1 747213139 MCZBFCGMPJZSSP-UHFFFAOYSA-N 436.537 4.159 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)OC(C)(C)C)cc1 747572662 HGONOIGQOJWHIP-UHFFFAOYSA-N 427.545 4.209 10 20 IICD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)C2)cc1 751301360 CVNOJCNDSHGLAM-HXUWFJFHSA-N 439.519 4.196 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 753978433 OUGQVKVWAIUWKH-UHFFFAOYSA-N 435.502 4.025 10 20 IICD CN(CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1 761375790 IIJDWCQOJNIVLL-OBGWFSINSA-N 446.619 4.409 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3cc(Br)ncc3F)cc2F)CC1 762749134 QNHYYIAVMBJPGJ-AWEZNQCLSA-N 439.348 4.115 10 20 IICD Cc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 764410926 CUDVUPNFHXLYDE-GIJQJNRQSA-N 440.506 4.392 10 20 IICD CN(Cc1cccc(Br)c1O)C[C@@H](O)COc1ccccc1C(F)(F)F 768932775 STKRLUHVBJUODV-CYBMUJFWSA-N 434.252 4.045 10 20 IICD O=C(c1cccc(NCc2cc(Br)ccc2O)c1)N1CCCC[C@H]1CCO 770525327 UNGXWLXGQBUNNA-IBGZPJMESA-N 433.346 4.144 10 20 IICD CCN1CCN(C[C@H](C)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 772694116 QNDXTFMYZMOSIQ-HXUWFJFHSA-N 436.604 4.171 10 20 IICD C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1 773987753 HCJMHWVPLKKIME-FUHWJXTLSA-N 445.510 4.084 10 20 IICD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)/C=C\c1ccc(O)c(O)c1 774779729 WTRAWGCXWHBADD-CNRGFGOASA-N 434.330 4.028 10 20 IICD CCOc1cc(Br)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OCC 774943243 YXRZXMDUPYIHSC-UHFFFAOYSA-N 441.278 4.481 10 20 IICD COc1cccc(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1O 775828087 QIWJYUGYFLAUEC-UHFFFAOYSA-N 435.303 4.004 10 20 IICD CCC[C@@H]1C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 780588129 DUTKZACWSVNUOK-CEWLAPEOSA-N 433.593 4.030 10 20 IICD CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C 782896963 WHXZEKOUOQGYQF-UHFFFAOYSA-N 437.540 4.267 10 20 IICD Cc1cc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1-c1ccccc1 788933349 URFSCQOPRCNIDY-UHFFFAOYSA-N 427.548 4.195 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(N(C)C)cc1 789744198 PACYIECNFMLRKS-CQSZACIVSA-N 440.450 4.034 10 20 IICD Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 797110105 UGAYAXUJROCJTE-HNNXBMFYSA-N 438.911 4.413 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Cl)cc1I 797636175 JWBLPWZNBWZBTA-VIFPVBQESA-N 446.672 4.109 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797661091 WMRIBYUAMSZTMI-UHFFFAOYSA-N 426.492 4.437 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)cc2)C1 802012099 IEVZDTJXZXCHIN-YQIMAOPZSA-N 446.595 4.009 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c2ccccc12 811704192 XJYAIPWHRICYEC-UHFFFAOYSA-N 428.510 4.230 10 20 IICD Cc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c(C)n1-c1ccccn1 817208726 MYBRBSQWOQBZFG-UHFFFAOYSA-N 438.572 4.352 10 20 IICD Cc1cc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 900718644 KCOALMRWFOQZJL-UHFFFAOYSA-N 425.554 4.258 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)cc1 906369867 VZFLISDABDNPHY-UHFFFAOYSA-N 425.894 4.362 10 20 IICD O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457616 IPHPFEUDDYLXBJ-UHFFFAOYSA-N 446.391 4.420 10 20 IICD Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cccc2c1=O 916591315 HAWABEFSMUQPLT-UHFFFAOYSA-N 430.412 4.219 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2F)C[C@H](C)O1 917715673 SQWVNSFCNLFICA-HOTGVXAUSA-N 428.552 4.198 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1 918712410 LASMLALXAKKBFQ-ZROIWOOFSA-N 425.457 4.131 10 20 IICD Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n(-c2ccccn2)n1 919652256 AJHFMKCZSIFZCC-UHFFFAOYSA-N 430.512 4.469 10 20 IICD Cc1ccccc1C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCOCC1 919921191 NSZHSGLANYFWHX-JOCHJYFZSA-N 438.568 4.140 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 920189915 SATWFZQAZCQQIA-UHFFFAOYSA-N 433.508 4.143 10 20 IICD Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC[C@@H]2CCCO2)c1 920872756 HCBOIDMOIHZFJZ-KNQAVFIVSA-N 439.556 4.272 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(CCc4cccs4)C3=O)cc2F)CC1 1318270203 KYIKNELEDRYBDD-XMHGGMMESA-N 447.626 4.083 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3nccnc3-c3nc4ccccc4s3)CC2)cc1 1319734072 USHKTAWRMZJZOU-UHFFFAOYSA-N 445.548 4.114 10 20 IICD Cc1cnoc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790778074 SYRXIBLJTMTEKD-UHFFFAOYSA-N 441.871 4.109 10 20 IICD Cc1ccn(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1799475316 YUSFCWNZKFPPFZ-VILGAWFOSA-N 444.579 4.307 10 20 IICD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c1Cl 1803622299 BWBLYJJUZXASMK-QDMKHBRRSA-N 449.334 4.279 10 20 IICD COc1ccc(OCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726612395 DXGUUFDBLPDNCF-UHFFFAOYSA-N 449.498 4.034 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC1=S 727176616 NASZLNQTFFSABM-MFOYZWKCSA-N 435.018 4.315 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 732468255 JAZCVXVZIKVNKN-DENIHFKCSA-N 441.572 4.491 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c(C)c2)n1 737078644 DLNNEDXTVUMNSU-UHFFFAOYSA-N 440.594 4.232 10 20 IICD O=C(CCc1nnc(-c2ccccc2)o1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798899 COAFTLMLACKREQ-KRWDZBQOSA-N 442.466 4.056 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801308 PDBAZULABSKQPR-KRWDZBQOSA-N 443.498 4.321 10 20 IICD O=C(Nc1ccc(Cn2cccn2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743126288 CHMYEMUIMJFOFS-LJQANCHMSA-N 441.482 4.323 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCN(C(=O)OCC(C)C)CC1 743808696 BZBDMCFHUGSQSO-UHFFFAOYSA-N 441.366 4.008 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(Cc2ccc(Cl)cc2)CC1 745358171 ZAMGKQZXJBWXBY-UHFFFAOYSA-N 427.976 4.388 10 20 IICD CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 748617929 MDJADZRIOCYYOJ-YDIMBITNSA-N 443.563 4.013 10 20 IICD CCO[C@H](C)c1nc(CN2CCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)cs1 750058190 ZZIIHHMJKOUSAB-OAHLLOKOSA-N 437.993 4.120 10 20 IICD Cc1ccc(-n2nc(Br)cc2C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 755360042 PCNSQSIPMXZANT-UHFFFAOYSA-N 441.329 4.048 10 20 IICD Cc1ccc([C@H](CN[C@H](C)c2cc(Br)cc(Cl)c2O)N2CCOCC2)o1 756364391 JYUHSYZQNZEPRK-DYVFJYSZSA-N 443.769 4.434 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC=C(c2cccc3ccccc23)C1 758382921 MAEISQIEIMDAGP-UHFFFAOYSA-N 431.511 4.424 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1C[C@@H](O)c1ccco1 758814704 MURNMHRHJGZJOQ-IMFGXOCKSA-N 449.498 4.148 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C(F)F 760177683 MMYQOHPQOIRJGB-MRXNPFEDSA-N 440.922 4.230 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C 761996732 XWAFNXOGKOKPDW-CYBMUJFWSA-N 429.922 4.047 10 20 IICD C[C@H](NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1 765136309 LHZUZSIVRJKMCX-CVEARBPZSA-N 449.364 4.481 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccn3)cc2F)C[C@H](C)O1 765340315 XCXRRQXXSRQJOF-STQMWFEESA-N 426.414 4.175 10 20 IICD C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1cccc(Br)c1O 765533004 FPZFRHOXDIXZEI-HOTGVXAUSA-N 446.389 4.111 10 20 IICD Cc1cccc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccn2)c1 766252210 QBTKRWYLRAZTEP-AREMUKBSSA-N 444.579 4.188 10 20 IICD O=C(OCc1nncn1-c1ccccc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 768375466 VUZRGAJRJAJEDN-UHFFFAOYSA-N 443.846 4.053 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Br)SC1=S 769790013 CAGUZRBSLJRLMZ-KPKJPENVSA-N 434.764 4.257 10 20 IICD CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Br)ccc1O 775525599 XMVDDQFJXUSPNA-RTBURBONSA-N 433.346 4.005 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2Cc2ccccc2Br)c1 779465251 CQHSFBOMCIGNGM-ZDUSSCGKSA-N 445.317 4.291 10 20 IICD COc1cc(OC)c(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1Br 779506589 ZHAXNRCGRAFNSS-UHFFFAOYSA-N 434.334 4.388 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 782897092 YIQFLJROIPLUND-UHFFFAOYSA-N 425.529 4.122 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1 784027472 QQPJFQUAPGVQLW-UHFFFAOYSA-N 436.483 4.488 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2ccccc2n1CC(F)(F)F 787378828 SNPIRTGUQWCWTJ-UHFFFAOYSA-N 445.485 4.342 10 20 IICD C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C[C@@H](C)O2 797541186 CABUYUMNOAVSOE-QZTZHPFYSA-N 436.512 4.226 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797716484 YFPRCOIOWWUXIN-UHFFFAOYSA-N 444.572 4.462 10 20 IICD C[C@@H](NCCCNC(=O)/C=C\c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800507157 ULWFEGHTFHIPOY-SCEWNMGZSA-N 427.976 4.047 10 20 IICD O=C(NCCCc1c[nH]c2ccc(F)cc12)N(Cc1ccccc1O)C[C@H]1CCCO1 800745531 WHNSVLLVSBNPBH-HXUWFJFHSA-N 425.504 4.336 10 20 IICD Cc1cc(C(=O)NCc2cnc3n2CCCC3)c(C)n1-c1ccccc1Br 803702510 ROMKSPCNLHFJQE-UHFFFAOYSA-N 427.346 4.319 10 20 IICD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O 806267536 CFMJNSFDGXDBNT-UHFFFAOYSA-N 446.356 4.098 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 807689774 KBRKEPBLLOOGEA-NRFANRHFSA-N 441.547 4.047 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@@](CO)(Cc4ccc(F)cc4)C3)cc2)CC1 812035232 GPFRVFUCWDTZOY-AREMUKBSSA-N 439.575 4.199 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccoc2C2(O)CCOCC2)c1C 815452752 GUFUDAGWELQMQB-UHFFFAOYSA-N 437.492 4.033 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c([N+](=O)[O-])c1 817942861 GEJMNKAWZOOSNS-UHFFFAOYSA-N 425.875 4.181 10 20 IICD COc1ccccc1CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857472305 JZKQGBDELIFISS-HXUWFJFHSA-N 430.976 4.404 10 20 IICD CCOc1c(Cl)cccc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857472864 OYOWPPSFGNKKDI-SFHVURJKSA-N 437.367 4.421 10 20 IICD C[C@H](Oc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1)c1ccccc1 916138327 GDVYBILZFJLQEC-FQEVSTJZSA-N 431.536 4.330 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 916519622 FQPZYZJKWIOBPV-UHFFFAOYSA-N 430.593 4.218 10 20 IICD CC(=O)c1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1 919276404 OFPRPUKXUIHXAD-UHFFFAOYSA-N 447.487 4.037 10 20 IICD C[C@H]1CCc2nc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)sc2C1 1317930946 YMDQXPGGWOQZQK-NSHDSACASA-N 447.472 4.204 10 20 IICD COc1ccc([C@@H](NC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)C(C)C)cc1 14152361 XFQMZNSYAYZTPT-FQEVSTJZSA-N 441.553 4.174 10 20 IICD COc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c(C)nc2c1 108453981 MNAFOGSTYDMEAQ-HOTGVXAUSA-N 437.515 4.235 10 20 IICD COc1ccc(N2CCN(CCCNCc3csc(-c4cccs4)n3)CC2)cc1 237275834 NJBNAACLIHBPGI-UHFFFAOYSA-N 428.627 4.182 10 20 IICD Cc1cc(C)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(Br)c1 472804006 BLQUMOZYLDIMHR-UHFFFAOYSA-N 428.330 4.121 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)n(C)c2ccccc12 472806335 PSBFITIBBBGHMS-UHFFFAOYSA-N 429.524 4.051 10 20 IICD O=C1/C(=C/c2cc(Br)c3c(c2)OCO3)SC(=S)N1CCc1ccccn1 726196955 HVSJKXZGJVSGHD-DHDCSXOGSA-N 449.351 4.017 10 20 IICD CCCN(CC)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 726567672 RWDFZJLSSLPXEX-UHFFFAOYSA-N 432.515 4.318 10 20 IICD CCCCn1c(CNc2ccccc2OCC)nc2c1c(O)nc(=O)n2Cc1ccccc1 727099222 OLBLUBXVFPZMSK-UHFFFAOYSA-N 447.539 4.158 10 20 IICD Cc1sc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nc1-c1cccc(Cl)c1 727245909 JAYMNYBTALJCIP-UHFFFAOYSA-N 433.946 4.163 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3C(=O)OC)n2)cc1 727249127 PUHBFRUKZMARQG-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1 728980895 PNSMZUICWMRLRP-INIZCTEOSA-N 444.487 4.309 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c(C)n1-c1cccc(Cl)c1 729315180 HDKPAQJAFUVTMT-UHFFFAOYSA-N 438.959 4.291 10 20 IICD O=C1/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 735332031 VSQBDAQTUAUFEA-YEWRBRKMSA-N 441.530 4.379 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2cccc3ccccc23)CC1 740919097 BAHWRXUODQUGTA-UHFFFAOYSA-N 426.564 4.243 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 741069204 MCEGXCPANJMYGB-UHFFFAOYSA-N 444.601 4.396 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)c(F)c2)cc1 742278934 OIRIKLYFQJDJSG-UHFFFAOYSA-N 427.339 4.008 10 20 IICD C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749354 GEVZVJQKULLPHM-JTSKRJEESA-N 443.563 4.453 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c(F)c(F)c2)NC(=O)OC(C)(C)C)cc1 742753905 MOLQWRVYKOCDKE-GOSISDBHSA-N 437.462 4.166 10 20 IICD CCCN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccccc1O 744392238 IYXJHSCRQRSBGE-UHFFFAOYSA-N 441.553 4.384 10 20 IICD CCSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 745609977 SRKMBEXQQRLGTB-HNNXBMFYSA-N 433.540 4.215 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1F 752363325 UULAAJQKKGJIDM-CYBMUJFWSA-N 443.416 4.381 10 20 IICD C[C@H](NCCCN(C)CC(F)(F)F)c1cc(Br)cc(Br)c1O 756414059 HNUYJIQMLBISPY-VIFPVBQESA-N 448.121 4.452 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 758415801 LYCQEYFWPXKZJD-BTAWCLGRSA-N 434.926 4.081 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccccc3CCC(F)(F)F)cc2F)CC1 759014350 PXHSXABVMKORFK-UHFFFAOYSA-N 437.481 4.393 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)cc(OC)c1OC 760104004 LJOVXSCFXQVASG-SFHVURJKSA-N 449.551 4.458 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 763165161 PZQAEWFKMMOXIH-JOCHJYFZSA-N 425.964 4.461 10 20 IICD CS(=O)(=O)c1ccc(CNCc2ccc(OCc3ccccc3)cc2O)cc1Cl 763406851 XDHKGMPTQXYXSC-UHFFFAOYSA-N 431.941 4.318 10 20 IICD Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765281069 NPSXGAJOPXWENH-HSZRJFAPSA-N 447.558 4.254 10 20 IICD O=C(NCCCSc1nccs1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 767096692 MBYYIXIPLPENCN-WOJBJXKFSA-N 430.643 4.321 10 20 IICD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 768443853 VFUDMLCRQBHFCL-NRFANRHFSA-N 427.541 4.358 10 20 IICD Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768917384 YETYABDMAZUJHH-KRWDZBQOSA-N 445.972 4.394 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3c[nH]c4ccccc34)no2)c1)c1cccs1 771194676 BEHOXEKFZIWOBR-UHFFFAOYSA-N 438.490 4.453 10 20 IICD O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 775378349 IEXLEERKJYNMGH-XMMPIXPASA-N 445.966 4.063 10 20 IICD CC(C)(C)c1cnc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 776336268 RAVZAFFOGDOKAK-UHFFFAOYSA-N 439.478 4.077 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccc(Br)cc1 779073774 QJOXEPPIJQJTBT-ICSRJNTNSA-N 445.357 4.067 10 20 IICD Cc1cc(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1-c1ccc(Cl)cc1 785590869 RGSUECZSKAZYBB-UHFFFAOYSA-N 441.919 4.258 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 795858967 ZXODHBFKDZFSGB-SFTDATJTSA-N 436.474 4.013 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1cccc2c1OCO2 800928339 TVOLXHNAQPYKTA-UHFFFAOYSA-N 439.312 4.102 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c(C)c1OC 806549672 UFFVQRQBVSOTNV-ZDLGFXPLSA-N 428.535 4.376 10 20 IICD CN(C)CCn1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1-c1ccccc1 806665451 BVYBKNAIUWXCPL-UHFFFAOYSA-N 431.584 4.032 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccnc1Cl 810287153 KGQZDRUQBNYMMA-UHFFFAOYSA-N 428.842 4.221 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 816820349 JRTFSGZQDABNGF-WWOHXHCDSA-N 443.547 4.199 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(N2CCSCC2)cc1 917387158 SACRNDVSXZWBHJ-UHFFFAOYSA-N 441.578 4.385 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4c3OCCO4)SC2=S)cc1 917643380 ZBAJHLOHDOTUQG-SFQUDFHCSA-N 427.503 4.040 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 917698189 SGWNJLDFCCNKJW-XMMPIXPASA-N 427.504 4.481 10 20 IICD CO[C@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1 918018438 UHTWTILIQQVWJV-CLEQQJOVSA-N 446.619 4.233 10 20 IICD CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918207451 ZZPFPNPKDVKSEZ-QGZVFWFLSA-N 429.536 4.134 10 20 IICD O=C(CCCOc1cccc(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918324019 VRPKEBBSENEIDD-UHFFFAOYSA-N 440.437 4.157 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F 918557217 CZMASNNEBQOYNZ-UHFFFAOYSA-N 440.487 4.243 10 20 IICD CC(C)COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 920232176 WMGACFPPUSTRDJ-UHFFFAOYSA-N 440.544 4.392 10 20 IICD Cc1nn(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1[N+](=O)[O-] 920661092 ONLVNADEQULPIV-UHFFFAOYSA-N 438.484 4.207 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1116584312 DLUTWZMLVXXGJF-RTWAWAEBSA-N 443.632 4.116 10 20 IICD Fc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F 1341040577 UHWKFQVPSKYAIR-UHFFFAOYSA-N 431.430 4.307 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ncccc3C)n2C[C@@H]2CCOC2)cc1 1519170477 QUWPVXSMKXFYMR-NRFANRHFSA-N 434.588 4.168 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1)c1cc(O)nc(O)c1 1788426961 JVABKSWTESAWOH-UHFFFAOYSA-N 448.504 4.097 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C3(C(F)(F)F)CC3)C2)cc1 1843946561 XTBMETQDCDPIES-UHFFFAOYSA-N 445.485 4.254 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(COC(C)(C)C)c3)CC2)cc1 110468198 ZFNYIARFQRIDNX-UHFFFAOYSA-N 425.573 4.479 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(Br)ccc1I 230210892 LWJKSFCAJSITBA-UHFFFAOYSA-N 446.082 4.032 10 20 IICD COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 727802649 WXMUTDJPWLWOSO-PMACEKPBSA-N 448.394 4.044 10 20 IICD CN1CCc2nc3ccccc3c(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2C1 728276893 AGZHCMVRKWQBGX-UHFFFAOYSA-N 428.580 4.485 10 20 IICD Cn1c(=O)oc2cc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)ccc21 728300024 XTBMIJVWVKAPHW-LJQANCHMSA-N 441.447 4.291 10 20 IICD O=C(CCN(Cc1ccccc1O)C1CCCC1)N1CCN(c2ccc(F)cc2)CC1 731845519 CHPHNCCWGBFAML-UHFFFAOYSA-N 425.548 4.015 10 20 IICD O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 731847838 PFFREKKIYTZYCP-UHFFFAOYSA-N 425.920 4.010 10 20 IICD CCOc1ccc(C2(CNC(=O)NCc3ccc(N(C)C)cc3C)CCOCC2)cc1 734524743 JPQNGKPGOJDUCN-UHFFFAOYSA-N 425.573 4.007 10 20 IICD COCCOC1CCN(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 735077654 COXHYDIBBKZVTB-UHFFFAOYSA-N 449.389 4.167 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)ccc1C 737378873 DHNUJRFKVSUUBQ-UHFFFAOYSA-N 446.510 4.094 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3nc4cc(Br)cnc4[nH]3)c2C)c1 742191571 ZMLYLFUCORWQLI-UHFFFAOYSA-N 438.329 4.366 10 20 IICD C[C@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 742760072 HXZOVRQSKPZNLN-NRFANRHFSA-N 437.584 4.018 10 20 IICD C[C@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C[C@H](C)S1 742772130 HINSELKYMICRFG-IRXDYDNUSA-N 426.607 4.334 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCCNC(=O)OCc1ccccc1 743807779 GBMYYSXUNZWAIS-UHFFFAOYSA-N 449.345 4.210 10 20 IICD COc1cc(N(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc(OC)c1OC 744405041 JWUHXTOSGMXRJH-UHFFFAOYSA-N 441.553 4.295 10 20 IICD CCOCc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 748038573 IYFRCVQGRTUICN-UHFFFAOYSA-N 432.523 4.043 10 20 IICD COc1cc(NC(=O)NCc2ccccc2O)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 748444267 UCXJOBARHNKXBG-IYBDPMFKSA-N 441.528 4.134 10 20 IICD CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 751408121 YFMTULQNVKNZOD-HSZRJFAPSA-N 438.572 4.104 10 20 IICD CO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCCCO2)C1 752845599 ULNHUWPJBQPCQX-FCHUYYIVSA-N 435.572 4.147 10 20 IICD C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 753267456 JUDQKYLMHHYHCL-LIRRHRJNSA-N 425.426 4.326 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(CCC(F)(F)F)cc3)cc2)C1 753547300 KCWKOZCDJWRSKS-SFHVURJKSA-N 448.489 4.205 10 20 IICD CCc1cc(N2CCC(N[C@H](C)c3cc(Br)cc(Cl)c3O)CC2)ncn1 756636694 GDYOFKNCZREVSX-GFCCVEGCSA-N 439.785 4.480 10 20 IICD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1C 764524528 DOCLTNGANJQCSH-UHFFFAOYSA-N 448.482 4.353 10 20 IICD C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(NC(=O)C2CC2)cc1 765452959 YIRUIJGUJVGTGE-LBPRGKRZSA-N 432.318 4.064 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(O)c(Br)c1 767231262 JKUSNNKGDPOSBB-UHFFFAOYSA-N 432.362 4.487 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 769024653 QGZBGAHGSHPENS-ZEQRLZLVSA-N 447.608 4.164 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1O 774928943 AJYAWYQQQMJQSW-UHFFFAOYSA-N 442.516 4.126 10 20 IICD COc1ccc(NC(=O)c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)cc1 775174835 BFKNRKPCZSZSAE-UHFFFAOYSA-N 430.552 4.311 10 20 IICD C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775376788 RWORYWJYVUTBQM-CLOONOSVSA-N 431.559 4.356 10 20 IICD O=S(=O)(Nc1ccc(O)c(Cl)c1)c1scc(Br)c1Br 776750446 DRFIVVXHTODLAT-UHFFFAOYSA-N 447.557 4.433 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccc(F)cc2)cc1 779019139 KKLWWULDKQPVTK-BKMJKUGQSA-N 447.554 4.415 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1O 779026411 BINKNCVALGJIKF-QFBILLFUSA-N 431.374 4.347 10 20 IICD Cc1nnc(-c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)o1 782896282 QERIBKSRBQWDOB-UHFFFAOYSA-N 434.496 4.051 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 785927288 YRUWUVHRNLLQBY-HSZRJFAPSA-N 426.605 4.142 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC3CC(c4ccc(Br)cc4)C3)cc2)C1 786797833 XVBZRXXFBHVXCK-LWEYNCJUSA-N 442.401 4.187 10 20 IICD C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)c1ccc(N2CCOCC2)cc1 790250131 VOPOZZJTMCCOGB-INIZCTEOSA-N 444.373 4.115 10 20 IICD CCc1ccnc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 798064776 GLOUSVDCJRIXEE-ATVHPVEESA-N 431.608 4.003 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)cc1Br 799183703 ZDTOEBZRUSPHBG-UHFFFAOYSA-N 430.736 4.422 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 804684185 RQGKCWYWHCGOIE-HXUWFJFHSA-N 445.357 4.161 10 20 IICD COc1ccc(O)c(CNC(=O)NCC2(c3ccc(Br)s3)CCC2)c1 806809842 CSUQFTPNUQNBDL-UHFFFAOYSA-N 425.348 4.146 10 20 IICD Cc1cc(C(=O)Cn2nc(-c3cnn(C)c3)ccc2=O)c(C)n1-c1ccc(C(C)C)cc1 809965756 MUZTVEAVJXJHSR-UHFFFAOYSA-N 429.524 4.058 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2F)C[C@@H](C)O1 814283772 JMIBSUXIANSGGC-JKSBSHDWSA-N 426.536 4.127 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815046295 PFUPNPXBQNKSIY-UHFFFAOYSA-N 425.432 4.097 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=N)NCc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 849091158 WJWNEZOXVDRZFB-HUUCEWRRSA-N 438.469 4.272 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]c(C)c1C(C)=O 917709230 MMNJPARMYREXRF-HUUCEWRRSA-N 429.536 4.161 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1[nH]c2ccccc2c1Br 917954096 GBXJTNQLMOLHMJ-UHFFFAOYSA-N 428.330 4.039 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc2c(cc1Br)OCCO2 918096868 FGORVWNRCNROOF-AWEZNQCLSA-N 448.361 4.189 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccccc1)CC1CCC1 920044335 SBLQLAYKGUTMMQ-UHFFFAOYSA-N 425.548 4.299 10 20 IICD C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCOCC2)cc1 920880782 HGKSUNQEYJOZHM-KRWDZBQOSA-N 435.549 4.328 10 20 IICD O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1c(Cl)ccc2nonc12 1320978452 MDYNPEQJQFOHOP-UHFFFAOYSA-N 433.855 4.444 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)n(C)c2ccccc12 554644625 VNQKIPZWXTVBNY-HSZRJFAPSA-N 446.938 4.057 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3csc(-c4ccc5c(c4)OCO5)n3)SC2=S)cn1 728611003 RJHHVHWFPVDVEQ-OMCISZLKSA-N 442.547 4.161 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nncn2-c2ccc(C)c(C)c2)cc1F 731345610 CHVPLFDXDAPMEB-UHFFFAOYSA-N 441.576 4.278 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc1F 731409303 PXGDTDBOFJKYIY-UHFFFAOYSA-N 442.318 4.242 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(O)cc2)no1 731790913 VKPHPWYSZIJDHA-RVDMUPIBSA-N 429.548 4.338 10 20 IICD C[C@H](NC(=O)N1CCC(Cc2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 732243707 SCFJTEYHSXKISW-IBGZPJMESA-N 425.548 4.388 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(N4CCNC4=O)ccc3F)c2C)cc1 738697132 MUDCMUIKXSGEOM-UHFFFAOYSA-N 449.482 4.111 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnc(Cl)c(Cl)c1 739380801 AIQZGSKSXJJDIS-UHFFFAOYSA-N 430.294 4.041 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Cl)ccc3Br)c2)CC1 739768609 SIBNCTSQGSPIHP-UHFFFAOYSA-N 436.737 4.057 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NC3(c4cccc(Cl)c4)CC3)cc2F)CC1 741086856 NGJPUQQPYYJGST-UHFFFAOYSA-N 430.955 4.110 10 20 IICD Cc1cccc(N2CCN(CCC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)c1 742242785 LFKWVWCXJFCHOY-UHFFFAOYSA-N 434.628 4.156 10 20 IICD C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2ccccc2[nH]1 745321303 JBMHKXFGCMVVGQ-LSDHHAIUSA-N 429.471 4.194 10 20 IICD Cc1cccc([C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)N2CCOCC2)c1 745489940 YKVFINGKGROJDS-VWLOTQADSA-N 438.616 4.055 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C2CC2)cc1 747538773 MGBXORPZKGEGHD-UHFFFAOYSA-N 438.597 4.138 10 20 IICD Cc1ccc(C(=O)NCc2ccccc2O)cc1S(=O)(=O)Nc1cc(Cl)ccc1F 748347256 XKSUDOOXDGSYKB-UHFFFAOYSA-N 448.903 4.224 10 20 IICD CC[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Oc1ccccc1Cl 748960615 PNUBEMQVNAMCIT-SFHVURJKSA-N 449.954 4.097 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 749730475 RCGNFEMUIXIWOL-UHFFFAOYSA-N 443.550 4.181 10 20 IICD CCCCCOC1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 754358071 WRTWHYWHUMRKBU-ATVHPVEESA-N 438.640 4.147 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(F)c(OC)cc1OC 755833809 XULLLIZKUOWEKV-UHFFFAOYSA-N 427.270 4.365 10 20 IICD COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(Br)cc2O)c2nccn2C)c1 756390829 JEJGSOUGYBSZTD-XCLFUZPHSA-N 446.345 4.346 10 20 IICD C[C@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(Cl)c1O 756597326 LTTXXAPGQAYGSH-LBPRGKRZSA-N 425.754 4.403 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 759589949 VGYAKGULKRMDSC-XMCSSRMMSA-N 433.460 4.260 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(N2CCCC2=O)ccc1Cl 760530359 LHZQNPPLAWSYQW-UHFFFAOYSA-N 431.883 4.429 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)c(Br)c1O 761010687 KZLCUSBZMAYUSC-FLIBITNWSA-N 434.402 4.118 10 20 IICD Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 762269920 FCCKADTXZDUITK-XUZZJYLKSA-N 434.584 4.052 10 20 IICD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cccc(Br)c1O 765758428 WDWZPCLSKPTIHG-UHFFFAOYSA-N 437.240 4.337 10 20 IICD CC1(C)OCc2cc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2O1 769488599 DVUJTBHXAZKYEN-UHFFFAOYSA-N 436.474 4.477 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)c2C)cc1 771642355 VBVRRMUYYWQJEE-UHFFFAOYSA-N 436.527 4.452 10 20 IICD COc1ccccc1N(C(C)=O)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1 772777634 WOLHDJZTKHAIQJ-NTMALXAHSA-N 440.477 4.004 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(N(C)C)cc1 773847067 NCJSMWVUPWNALC-QGZVFWFLSA-N 442.519 4.301 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC(c4ccsc4)CC3)cc2F)CC1 777242617 VCCWVBVPILBROS-UHFFFAOYSA-N 430.593 4.118 10 20 IICD CCCNC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783482374 GVBYQWAFIRRWMU-SFHVURJKSA-N 444.535 4.142 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1OCC(C)C 785193362 XSESBKZTQDBTKI-UHFFFAOYSA-N 449.345 4.177 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sc4cccc(C)c4c3Cl)cc2)CC1 786261945 HNXUZEHMANFVEM-UHFFFAOYSA-N 441.984 4.462 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3nc(-c4ccccc4F)cs3)CC2)cc1 787159354 IOBMOZRWXJJHND-UHFFFAOYSA-N 440.544 4.426 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 788931851 JUQRTDZDGUIVIS-RUZDIDTESA-N 441.575 4.046 10 20 IICD O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1c(-c2ccccn2)nc2ccccn12 790945670 HIRKTHBXORMPMC-UHFFFAOYSA-N 425.807 4.278 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 791506257 FXKJDHLMJIWFNS-UHFFFAOYSA-N 426.561 4.474 10 20 IICD COc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1OCC(=O)NC1CC1 792849054 KRULNFBAJZDBGI-UHFFFAOYSA-N 437.462 4.050 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(S(C)(=O)=O)ccc3F)cc2Cl)C1 800049613 RRVRUCBBMNMXJJ-CQSZACIVSA-N 438.952 4.049 10 20 IICD COc1ccc(N2CCN(c3nnc(Cc4cccc5ccccc45)n3C)CC2)cc1F 800729579 FVSLBEZVEXWNJU-UHFFFAOYSA-N 431.515 4.033 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)cc(F)c1O 800994016 PLBVLRMGMDVEEY-RHSMWYFYSA-N 435.337 4.178 10 20 IICD O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 803167871 OGLXRIILPHLKIL-UHFFFAOYSA-N 447.318 4.180 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1ccnn1Cc1ccccn1 807061392 LQDWOTCERZIEEJ-UHFFFAOYSA-N 425.452 4.319 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1cccc2cccnc12 807836807 PYWDLGBLOQENST-UHFFFAOYSA-N 428.279 4.066 10 20 IICD COc1ccc(N2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3C)CC2)cc1 809816788 PBUMZUZUJGDBKK-UHFFFAOYSA-N 444.004 4.486 10 20 IICD Cc1cc(C(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)c(C)n1-c1ccc(C(C)C)cc1 903463285 URDYAIZIMBRYJK-UHFFFAOYSA-N 445.523 4.168 10 20 IICD COc1ccc([C@H](NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)C)cc1 914903583 PLSXCRZABMCQNH-XMMPIXPASA-N 435.524 4.168 10 20 IICD Cc1cc(C(=O)CSc2nnc3c(=O)[nH]c4ccccc4n23)c(C)n1-c1cccc(F)c1 916609387 DPPVXTVDOYBVAU-UHFFFAOYSA-N 447.495 4.092 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccc(Br)cc1 919790602 MQVWDFJACUNXQO-OAQYLSRUSA-N 444.373 4.332 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)c1 1338915294 IAWWHCQDUUOUPU-KSSFIOAISA-N 447.373 4.430 10 20 IICD CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c[nH]1 1787039948 YQYGVDNJOKAWGC-UHFFFAOYSA-N 448.523 4.180 10 20 IICD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccccc1 1792310828 SQXJOXUOGXQGIY-INIZCTEOSA-N 431.492 4.044 10 20 IICD Cc1ccc(-n2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2C(F)(F)F)cc1 475937839 IMDXYNRKEWNNQP-UHFFFAOYSA-N 430.430 4.305 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S 727176172 HEIIXUKMAWFVAN-AUWJEWJLSA-N 431.396 4.377 10 20 IICD COc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc(Cl)c1OC 727176901 SBCMGQIHTSSKPD-DHDCSXOGSA-N 429.007 4.146 10 20 IICD O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O 728139151 XKVSHTHRHJCUCN-UHFFFAOYSA-N 436.361 4.311 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(Br)c2)c1 728836384 ZMOQSVNZFIIFEU-UHFFFAOYSA-N 438.325 4.193 10 20 IICD CCN1CCN(c2ccc(CNC(=O)CCCCCc3ccc(O)cc3)cc2F)CC1 730287985 PWYYHANSMADHKB-UHFFFAOYSA-N 427.564 4.093 10 20 IICD COc1ccc2ccc(O)c(CN3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)c2c1 732673270 ZWGIAQYHQOJRHM-QHCPKHFHSA-N 426.944 4.059 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 742782448 AUQBTMIEZIGRSP-GOSISDBHSA-N 433.508 4.028 10 20 IICD O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743085574 MYDNITNFEYZCSU-GOSISDBHSA-N 444.482 4.427 10 20 IICD O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1CCc1ccc2c(c1)OCCO2 743283147 WJHKHRBDIFODMD-KGENOOAVSA-N 434.542 4.450 10 20 IICD O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1c(O)ccc2c1CCCC2 743716216 LFLBGQZUUQGIMS-UHFFFAOYSA-N 427.854 4.457 10 20 IICD O=C(Cc1cc(-c2ccccc2)on1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 744372750 LDYYAWKHXVKOCR-QGZVFWFLSA-N 427.451 4.271 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 750625670 IFJNUGUJXKRMQB-UHFFFAOYSA-N 426.561 4.297 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751064366 IPQGXNIJVABUOS-UHFFFAOYSA-N 443.550 4.107 10 20 IICD CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)c1 751554235 WNEFIVDRJINNMS-UHFFFAOYSA-N 443.594 4.242 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1Br 754088588 RTCTTYOZIUTOMT-CMPLNLGQSA-N 437.250 4.257 10 20 IICD Cc1ccc([C@@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(O)c1C 756462126 ZEKUPIDYBLMMJN-GOSISDBHSA-N 442.556 4.477 10 20 IICD COc1cc(N2CCN(Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc(OC)c1OC 759873171 RAHVVAODAWZJSL-UHFFFAOYSA-N 443.931 4.343 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cc(-c4ncco4)ccc3C)cc2F)CC1 759998411 BSQMHBZMJLHDPG-UHFFFAOYSA-N 437.519 4.253 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1cccc(Br)c1O)c1ccsc1 765729000 XGOZQOHERIBIDE-UHFFFAOYSA-N 431.311 4.399 10 20 IICD Cc1sc2ncnc(SCC(=O)NCc3cccc(Br)c3O)c2c1C 765729167 YTINOQDXFSDISE-UHFFFAOYSA-N 438.372 4.185 10 20 IICD C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 766155455 QDEVOPZOYFELOX-KRWDZBQOSA-N 425.554 4.194 10 20 IICD CC(C)Cn1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C1CC1 768385250 VHQJQZWSORMVIC-UHFFFAOYSA-N 432.515 4.417 10 20 IICD CN1CCN(c2ccc([C@H]3Nc4ccc(Cl)cc4C(=O)N3c3ccncc3)cc2)CC1 771517720 IXDUUASYSRHTED-QHCPKHFHSA-N 433.943 4.258 10 20 IICD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 772219679 AOEYZUQKVWAIQP-HXUWFJFHSA-N 433.618 4.036 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1 775371193 UZQMKIMEBNFASN-KDOFPFPSSA-N 425.510 4.084 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1cccc(Cl)c1 777741852 CDBXDAGMRFHNDA-UHFFFAOYSA-N 439.947 4.335 10 20 IICD CCOCCOCc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784062092 XEMTYRUNUURKJP-UHFFFAOYSA-N 439.556 4.126 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)OC)cc3OC)n2)s1 785542457 BWZANTZYSDGJAF-UHFFFAOYSA-N 438.552 4.030 10 20 IICD CC1(C)CC[C@H]2C[C@@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c3cccc1c32 788909233 FAOSWARVUGXTAR-WMZHIEFXSA-N 431.580 4.319 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cc(OC)cc(OC)c1 791246401 OCNIQTOKEQEMNS-UHFFFAOYSA-N 442.556 4.025 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCOc1ccccc1F 791249316 DVCPXFSHOJZYCA-UHFFFAOYSA-N 430.520 4.373 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)cc2)CC1 799923088 ASVCLORYOAPDEY-RUZDIDTESA-N 444.579 4.325 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3SCC(N)=O)cc2Cl)C1 800048268 XLCNCZUDABGSSK-OAHLLOKOSA-N 431.989 4.084 10 20 IICD Fc1cc(CN[C@H]2CCC[C@H](c3cccnc3)C2)ccc1N1CCN(c2ncccn2)CC1 800225195 RREDJVLULIHUFM-GMAHTHKFSA-N 446.574 4.153 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCCCNC(=O)/C=C\c1ccccc1 800523668 QXYLGGNVUMERTK-KTKRTIGZSA-N 430.346 4.407 10 20 IICD COc1ccc(-c2ccc(C)c(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2)cn1 804253136 KKHIMTGVZPHKEE-UHFFFAOYSA-N 437.883 4.393 10 20 IICD Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C 806440503 XKEVCKIFCXICCQ-CVDCTZTESA-N 426.630 4.039 10 20 IICD COc1ccc(N2CCCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3C)CC2)cc1 809852506 YLVNTDMQOXCCJM-QGZVFWFLSA-N 441.963 4.334 10 20 IICD CCN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCOC(C)(C)C1 812006853 YXQCDAFJWZCXCT-GOSISDBHSA-N 443.510 4.031 10 20 IICD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O 813682347 CJDHAZPGKVSQPF-JTQLQIEISA-N 431.316 4.215 10 20 IICD Cc1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1F 914445010 DMLOTCKGYDUJDD-BOPFTXTBSA-N 434.583 4.493 10 20 IICD CCOc1ccc(N(CC)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 914519828 SIANDFVEYJBFOA-UHFFFAOYSA-N 444.443 4.436 10 20 IICD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 914778680 GUSKKRPYSVAMEO-QHCPKHFHSA-N 437.584 4.195 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(Oc2ccc(F)cc2F)CC1 916625025 BOGOLUIYSIWLLG-UHFFFAOYSA-N 447.551 4.271 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCc3ccc(Cl)c(Cl)c3)cc2)C1 917835573 CMCFHWGBTIEGTJ-SFHVURJKSA-N 448.394 4.334 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 920873899 XLTWGVJMJURLKN-UHFFFAOYSA-N 433.512 4.078 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1 1317978824 MCHLOQQORMEXLK-UHFFFAOYSA-N 430.957 4.092 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cc(OCC(F)F)ccn2)cc1 1319912626 PTPZHGJHEHFBGW-UHFFFAOYSA-N 444.482 4.297 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](Cc4nccn4C)C3)cc2Cl)C1 1322674117 GZNCLSNEKAYGLB-ICSRJNTNSA-N 444.023 4.474 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccco4)C3=O)c2C)c1 58360535 JZMDOMLRRGHHCX-HSZRJFAPSA-N 437.521 4.059 10 20 IICD CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OCC 726626938 IMCNVBPFTPOFQD-CPNJWEJPSA-N 442.562 4.379 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 726698210 ASIHQLWTCPHVGI-UHFFFAOYSA-N 430.512 4.220 10 20 IICD Cc1cc(C(=O)OCc2nnc(C3CC3)n2C)c(C)n1-c1ccccc1Br 727186554 DNDVLIZDXIBGAP-UHFFFAOYSA-N 429.318 4.220 10 20 IICD CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 727247419 UYOULVNBHGYYKG-UHFFFAOYSA-N 427.551 4.448 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 727590976 KMSUMIMPYKYQLE-UHFFFAOYSA-N 425.920 4.026 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)/C=C/c3cccc(OC4CCCC4)c3)cc2)C1 727665916 XDOINGDHMQGPIA-OWSFEGEDSA-N 447.579 4.039 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(C)cc4F)c4c3CCC4)CC2)cc1 730541811 REZRRVCVBVGWOQ-UHFFFAOYSA-N 448.542 4.216 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1C(=O)NC(C)C 731281353 HVWBPVQTIXOLAW-HXUWFJFHSA-N 425.529 4.052 10 20 IICD C[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1 734273274 WCEAPGFXQPBHRP-PXDATVDWSA-N 436.600 4.111 10 20 IICD CCCOc1ccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 742558075 ZYVUQQWKFULPKW-OALUTQOASA-N 428.548 4.477 10 20 IICD C[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)S1 742771597 BNEMVZWJCOTICL-GJZGRUSLSA-N 444.578 4.112 10 20 IICD COCCOc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1 743109185 QYVIKSXEEPWZEV-KRWDZBQOSA-N 449.498 4.412 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(Cl)c2)cs1)c1cncc(Br)c1 747858954 UIGCDZARONYIKU-UHFFFAOYSA-N 430.736 4.422 10 20 IICD CN1CCCc2cc(CNC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)ccc21 751111162 AWATWJSIQICIBU-UHFFFAOYSA-N 425.617 4.331 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)oc1C 751126266 KIOBZWQISYRPEY-UHFFFAOYSA-N 434.451 4.152 10 20 IICD COCCN(CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 751483267 RJTFENDRWRQUEU-AWEZNQCLSA-N 441.355 4.341 10 20 IICD O=C(NCc1c(F)c(F)cc(F)c1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752953168 BZJMSIXLFLZMSW-UHFFFAOYSA-N 447.379 4.313 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1cc(Br)cc(F)c1O 756851832 VSWVYRBIYFVRNQ-RYUDHWBXSA-N 448.296 4.258 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1O 757276932 PEBURQWKVJJRMX-INIZCTEOSA-N 449.463 4.231 10 20 IICD CC(C)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 762057085 QUORQBJGMPSVIP-OAHLLOKOSA-N 442.471 4.164 10 20 IICD COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1 765510767 NSAOWZBOMSVPFK-HNNXBMFYSA-N 447.251 4.360 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 765807437 ZEXFOIYHNLZGTO-CQSZACIVSA-N 442.422 4.143 10 20 IICD C[C@@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765852327 VGRWWKOMGOWPLN-QZTJIDSGSA-N 438.012 4.474 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)CC2)cc1F 768984537 ZUTTWZFTRUBQQZ-GOSISDBHSA-N 443.416 4.499 10 20 IICD Cc1ccc2c(c1)N(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CCC2 769808327 LQCCMLMTPGFPCV-UHFFFAOYSA-N 428.535 4.156 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCC(O)(c2cccnc2)CC1 770778104 LJCBEHMNBGRNPM-UHFFFAOYSA-N 443.507 4.382 10 20 IICD Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 773008014 UOXYUCLESLXBTM-FPOVZHCZSA-N 447.583 4.009 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)ccc21 773782886 DTJWBZUEJUVZAF-UZLBHIALSA-N 443.588 4.422 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 775192469 MXXUFAHZEDXCBU-DEOSSOPVSA-N 445.950 4.238 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1O 779040931 PZZHNTHRAFYZQU-HNNXBMFYSA-N 446.389 4.334 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1C1CCCCC1 781136215 JVKPMGYDNAJBOR-CALCHBBNSA-N 428.552 4.379 10 20 IICD Cc1nnc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)c2)o1 783484686 FZXFMSKHCNRZJI-INIZCTEOSA-N 441.491 4.360 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 784026281 VJYDRAYEYKQEKS-UHFFFAOYSA-N 432.524 4.223 10 20 IICD CC(C)(C)C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 788253175 YYILAEUZURZVQV-JOCHJYFZSA-N 425.548 4.336 10 20 IICD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)cs1 788466117 SZDHDDSTBQVJSE-JKSUJKDBSA-N 436.581 4.239 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC 788516193 BPOVBLWFZDJCDT-WMZOPIPTSA-N 434.330 4.324 10 20 IICD COc1ccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c(O)c1 792890169 VJIYIXAIBLSANG-UHFFFAOYSA-N 442.519 4.312 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1OC 799184327 FHPLUKAEBGXKJW-UHFFFAOYSA-N 438.914 4.060 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCOCC4)C3)cc2Cl)C1 800711674 KNRMQQPMGVGVAQ-IEBWSBKVSA-N 435.996 4.104 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 801918256 HOGKFYOGOLBJAY-OAQYLSRUSA-N 449.599 4.394 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cc3ccccn3)ccc2C)cc1 802551971 JKHSQWMTTOZOSE-UHFFFAOYSA-N 430.552 4.082 10 20 IICD COc1ccccc1Oc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 805544810 SWIAAEYUEDERMP-GOSISDBHSA-N 447.535 4.047 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC 807031185 UYSHJGAIAFGABQ-LJQANCHMSA-N 441.572 4.223 10 20 IICD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 810369828 OEZVUAGMPULPOW-UHFFFAOYSA-N 428.886 4.416 10 20 IICD Cc1csc(Nc2ccc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)cc2)n1 810427577 ICIZPAZEETVJJD-UHFFFAOYSA-N 435.553 4.149 10 20 IICD CC(C)CNC(=O)NC(=O)[C@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772918 IVCADMMTOVAKOR-LUMBYOQCSA-N 447.607 4.475 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC3(CC2)OCCCO3)c(C)n1-c1ccc(OC(F)F)cc1 815156550 MJJRVSMKYPYVMI-GOSISDBHSA-N 448.510 4.496 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2ccc3ccccc3c2O)CC1 816558517 BNLYEQHGASLLTM-UHFFFAOYSA-N 438.593 4.397 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 914753958 AGJRHLXYQGPWNE-UHFFFAOYSA-N 446.320 4.178 10 20 IICD O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917381033 SEPJDZCWZBEMED-UHFFFAOYSA-N 446.473 4.057 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)oc2ccc(Cl)cc12 917834349 XAIAQRBOQQAJGN-MRXNPFEDSA-N 425.916 4.026 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)CC2)cc1 918030156 SUWGMUUFDLHSRR-GOSISDBHSA-N 443.617 4.128 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918219694 NKVXFVYZSWSLQV-KDURUIRLSA-N 442.579 4.285 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 919899255 WZKGHEOUMGVUTK-UHFFFAOYSA-N 427.346 4.264 10 20 IICD C[C@@H](NC(=O)NCCc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920866683 JTNILMAEWHJXPB-OAQYLSRUSA-N 436.600 4.116 10 20 IICD COC(=O)[C@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)Cc1ccncc1 1253329204 GKKXQIXRSXCWLV-IBGZPJMESA-N 445.523 4.325 10 20 IICD CN1CCN(c2ccc(CN[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)cc2F)CC1 1344381183 MXTLNFGUAKPYCJ-IBGZPJMESA-N 445.888 4.073 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc(OC(F)(F)F)cc1 18945385 RHWFNXOTOOQKFJ-UHFFFAOYSA-N 425.476 4.251 10 20 IICD COc1ccc(N2CCC(NC(=O)CCCOc3cccc(Br)c3)CC2)cc1 110355365 GJTCWQXCVIQKRG-UHFFFAOYSA-N 447.373 4.402 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)ccc21 484864974 ODFFSKIPFLZGMV-OAQYLSRUSA-N 449.599 4.242 10 20 IICD Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 611744908 VSIVSRWESJUHCU-NTEUORMPSA-N 448.429 4.120 10 20 IICD Cc1sc(NS(=O)(=O)c2ccccc2OC(F)F)nc1-c1cccc([N+](=O)[O-])c1 727248437 PYQCJHYMXIIZQV-UHFFFAOYSA-N 441.437 4.429 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)cc1F 728395062 NVHXEVIKBISUGL-UHFFFAOYSA-N 446.523 4.117 10 20 IICD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 729654461 NYIVIOZZLDHEOV-FPLPWBNLSA-N 436.439 4.172 10 20 IICD CC[C@@H](c1ccccc1)c1nnc(NC(=O)NCc2ccc(N3CCOCC3)cc2)s1 730120412 LMNRBKRRQZGZCJ-FQEVSTJZSA-N 437.569 4.238 10 20 IICD C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)Cc1ccccc1O 731842800 GCXDDMAFXGPHMN-LJQANCHMSA-N 431.536 4.296 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)c1 732286198 BVNHNIYQNWRNET-INIZCTEOSA-N 443.544 4.265 10 20 IICD COc1ccc(O)c(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)c1 734018730 HEHDWJFNZYXIPE-UHFFFAOYSA-N 429.270 4.281 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(Nc4ccccc4)c3)cc2)C1 735650720 CAYNYVNSQMKNTE-NRFANRHFSA-N 428.536 4.062 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2cc(Cl)ccc2Br)SC1=S 743279292 GKKPSIMDMDDWCA-XYOKQWHBSA-N 434.764 4.257 10 20 IICD CCC(CC)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 743699435 HCZXIXXKRUDRCQ-UHFFFAOYSA-N 427.564 4.344 10 20 IICD O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2c(O)ccc3ccccc23)CC1 749889281 DJXLNWXYZVVXHG-UHFFFAOYSA-N 436.986 4.157 10 20 IICD Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(=O)oc2ccccc12 750612173 UQIDGUSADQSYHB-UHFFFAOYSA-N 428.435 4.102 10 20 IICD C[C@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1nccs1 754737914 ONYPOZJGOKSVOK-XTCQQWIJSA-N 437.637 4.106 10 20 IICD CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1F 755969928 YFHLRUVVEQNSFF-OAQYLSRUSA-N 427.545 4.399 10 20 IICD CC(C)C[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)C(=O)Nc1nccs1 756782073 MIVRPJJDXZENIU-YGRLFVJLSA-N 430.343 4.454 10 20 IICD Cc1cc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c(C)n1-c1ccc(Cl)cc1 758293493 ZOJCSCIHACWESA-UHFFFAOYSA-N 428.941 4.007 10 20 IICD COc1cc(Cl)cc([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)c1O 758823240 YLKOTMUDAAWLOH-DEOSSOPVSA-N 438.911 4.264 10 20 IICD Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(O[C@H]2CCOC2)c1 758900680 NMJXVUMBVRUEBQ-DEOSSOPVSA-N 437.584 4.495 10 20 IICD C[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)c(F)cc1O 760018555 PSQIDRBKYXHZOP-RDJZCZTQSA-N 437.353 4.236 10 20 IICD C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCCC2)c(F)c1 764846551 GSLJDQLDPUMBQP-SFHVURJKSA-N 430.568 4.111 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)ccc21 765480521 QXEQNWHGYDDWCJ-UHFFFAOYSA-N 447.501 4.281 10 20 IICD O=C(NCc1cccc(Br)c1O)c1csc(COc2ccc(F)cc2)n1 765736116 LPJBGHFFDXCKCC-UHFFFAOYSA-N 437.290 4.259 10 20 IICD Brc1cnc(Br)c(NCc2ccc(N3CCOCC3)cc2)c1 765943670 DMOYPEUFPDBPEQ-UHFFFAOYSA-N 427.140 4.055 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CSc3nnc(CO)n3C3CC3)c2C)c1 767214831 NPBDQFQSZMQJHK-UHFFFAOYSA-N 428.583 4.210 10 20 IICD Fc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(Cl)c1 767917883 TXBXVQPZQVUBMG-UHFFFAOYSA-N 429.902 4.025 10 20 IICD COc1cc(Br)cc(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)c1O 768180923 RISRDZXUTHJKCD-UHFFFAOYSA-N 425.298 4.152 10 20 IICD O=C(NC1CCCCC1)NC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 769106378 KSQLFXFJRPEETI-UHFFFAOYSA-N 443.592 4.181 10 20 IICD CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1F 771141079 IBXLPEBFDDPVLY-UHFFFAOYSA-N 448.501 4.413 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1 771192905 VSFOOANJWCYFQD-UHFFFAOYSA-N 445.445 4.254 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2ccc(F)cc2C1 771501754 QCOBGYMQJIXWKH-PDGQHHTCSA-N 446.594 4.454 10 20 IICD Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12 773761720 UBEZIMUPNMAWEM-ZDUSSCGKSA-N 439.512 4.366 10 20 IICD CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 774137643 GGHFQTRALPHBSV-LJQANCHMSA-N 430.520 4.032 10 20 IICD COC[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c(F)c1 775379538 SPUORGZOJSXQSO-HXUWFJFHSA-N 430.417 4.298 10 20 IICD C[C@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc(N(C)C)cc1 775654119 KTAVSUXYJLPFHV-ZDUSSCGKSA-N 425.924 4.142 10 20 IICD C[C@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1 775728984 PHKOGBOMPYBWDL-HRAATJIYSA-N 429.948 4.451 10 20 IICD Cc1cc(C)c2c(c1)CN(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CC2 777221930 JNFFVQFUPVKECW-UHFFFAOYSA-N 442.562 4.070 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(Cc4cccc(F)c4)n3)CC2)cc1 779853804 KGOPGRNZBBQQDO-UHFFFAOYSA-N 425.529 4.234 10 20 IICD CCOc1cc(/C=C\C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1O 780919241 SJKKEGGSYFHTJJ-WMZJFQQLSA-N 432.467 4.191 10 20 IICD CC(=O)N1CCN(Cc2cccc(NC(=O)c3sccc3-n3c(C)ccc3C)c2)CC1 781341248 WAAVNIDTCFFLJW-UHFFFAOYSA-N 436.581 4.072 10 20 IICD CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1 781964470 VLYOKRATILSZCE-UHFFFAOYSA-N 431.536 4.177 10 20 IICD Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)n2)c1 787013873 UNNKNFMSAGNMJO-HOTGVXAUSA-N 426.952 4.077 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Br)c(C)c3F)CC2)cc1F 788741158 LNSAKVNAYBXSJG-UHFFFAOYSA-N 440.288 4.398 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(-c4cccc(F)c4F)o3)cc2)C1 790954079 KIZDLOOSTVAWIV-KRWDZBQOSA-N 425.479 4.216 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 792955933 BOTQBPJNMQZRFF-IBGZPJMESA-N 439.865 4.268 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3nc4c(s3)CCCC4)cc2Cl)C1 800637028 SIADEXUPWNOWOU-AWEZNQCLSA-N 447.004 4.167 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](CN(C)CC4CC4)C3)cc2Cl)C1 800718740 CYNNVEVILLLKBL-GHTZIAJQSA-N 433.040 4.450 10 20 IICD CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801870708 DAUZCNXEDCYFRY-UHFFFAOYSA-N 443.498 4.039 10 20 IICD COc1ccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)C)CC2)cc1F 802671845 VZKPYAAKLKIWCC-UHFFFAOYSA-N 444.942 4.124 10 20 IICD CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807674256 JDZCYKXAJGTJCM-INIZCTEOSA-N 446.389 4.131 10 20 IICD O=C(N[C@H]1c2ccccc2CC12CCOCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 812564717 YHGCLPFCEGJPQZ-URXFXBBRSA-N 436.552 4.177 10 20 IICD O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N(Cc1ccccc1O)C1CCCCC1 815582612 LAXKQUUODONPBN-UHFFFAOYSA-N 441.475 4.254 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc3ccccc3cc2NS(C)(=O)=O)C2CC2)cc1 914484344 GSSWCPBJMXEWIA-UHFFFAOYSA-N 437.565 4.082 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(N3CCCC3=O)cc2)cc1 914491960 VOUGTMZBKPWMJB-UHFFFAOYSA-N 447.535 4.080 10 20 IICD COc1ccc(N2CCN(c3c([N+](=O)[O-])cnc4ccc(Br)cc34)CC2)cc1 914571316 ZAMGUWPPLSHSLT-UHFFFAOYSA-N 443.301 4.241 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 915291004 KPVKNDZADVTLPN-UHFFFAOYSA-N 437.524 4.250 10 20 IICD Cc1cc(CCNC(=O)NCc2ccccc2Cn2ccnc2)c(C)n1-c1ccccc1 916221035 LKNAPPHQPYLZMN-UHFFFAOYSA-N 427.552 4.381 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])n2)cc1 918192536 VLLBCRWOZXMEEJ-UHFFFAOYSA-N 425.488 4.380 10 20 IICD CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918415012 ABHGYFRTISMTCP-UHFFFAOYSA-N 435.528 4.148 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 919654975 NGTTYOKVICMSOV-XMMPIXPASA-N 438.547 4.499 10 20 IICD Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc12 920881134 DAOALHBTURJXHV-SFHVURJKSA-N 441.535 4.057 10 20 IICD C[C@H](COc1ccccc1F)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1318834695 ANGOURIZQJRGBC-CVEARBPZSA-N 437.462 4.163 10 20 IICD CCOc1ccc(N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)cc1 1319847173 KPHCGMOYQLSUEQ-UHFFFAOYSA-N 445.523 4.421 10 20 IICD Cc1ccc(C)c(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 10923135 HTLCBKJTEINPFC-UHFFFAOYSA-N 443.411 4.027 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)s1 26219707 HBPLGUPXPXMVPW-WJDWOHSUSA-N 435.368 4.480 10 20 IICD COc1ccccc1[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1noc(C)n1 303612200 ORWWICOPILKANC-JOCHJYFZSA-N 434.471 4.453 10 20 IICD Oc1ccc(Br)cc1CNCc1nnc2c(Cl)cc(C(F)(F)F)cn12 725845285 SJUHIAZRFSFUOG-UHFFFAOYSA-N 435.631 4.159 10 20 IICD O=C1/C(=C/c2ccc(-c3cccc(F)c3)s2)SC(=S)N1CCCN1CCOCC1 725904798 PVEDQTWBJQGOSO-RGEXLXHISA-N 448.610 4.478 10 20 IICD O=C(NCc1cc(-c2ccccc2)no1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726706877 VHQCXPBSTIEVLO-UHFFFAOYSA-N 442.466 4.411 10 20 IICD O=C1Nc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)c3cccc1c23 727250227 KQDCYYJLIFBJLE-UHFFFAOYSA-N 425.466 4.469 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(OC)c(Cl)c3)ccc21 728637406 KOFOOKGONINFDS-UHFFFAOYSA-N 444.915 4.362 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 730167107 AFTYNPBMVWEDGI-UHFFFAOYSA-N 437.515 4.164 10 20 IICD CSCc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 731587886 BBWSEQMSBMKTCS-UHFFFAOYSA-N 432.457 4.486 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(Sc2ccccc2)CC1 731757069 SYZQSKWHMJZKED-UHFFFAOYSA-N 425.598 4.019 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@H](c2ccco2)C1 732128312 AFCVUDUEPUMPQS-IQGJIOQQSA-N 432.592 4.339 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc4cccnc34)n2)c(F)c1 735916521 VJRURKGAIBHDTK-UHFFFAOYSA-N 442.497 4.257 10 20 IICD CS[C@@H]1CC[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 742742104 RILRYWIBSOMTJN-BUJPYTEUSA-N 426.654 4.130 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 743134407 AKQHGERPCZQDEJ-UHFFFAOYSA-N 446.447 4.138 10 20 IICD CCC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOCC1 744802234 RKTQQDOTTKQECT-DTQAZKPQSA-N 438.640 4.053 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)c2C)c1 746873025 WRDDQSUYANQNIB-FQEVSTJZSA-N 440.341 4.121 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1F 748472640 SRJBNKBDKJJFJW-UHFFFAOYSA-N 427.520 4.106 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Cl)c(N2CCCC2=O)c1 751300619 YZZIMXMXXAQQMH-UHFFFAOYSA-N 431.883 4.429 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC[C@@H](Oc4ccccc4Cl)C3)CC2)cc1 752665931 YCIKAHJKCWFORY-HXUWFJFHSA-N 429.948 4.180 10 20 IICD Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)Cc4ccc(O)c(O)c4)cc3)o2)c1 753640085 IMYTZPVRPNUEPY-INIZCTEOSA-N 429.476 4.484 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C(C)C 753815214 KKKDNPSYECBTGA-SFHVURJKSA-N 431.964 4.403 10 20 IICD Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc(N2CCOCC2)cc1 756949231 GZTKAERKKVQGNP-UHFFFAOYSA-N 444.457 4.171 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(CCCc3ccccc3)no2)c1)c1cccs1 758284598 VKJNQJLKKDOBEG-UHFFFAOYSA-N 441.534 4.480 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 761575546 KRUKQJFLXWJUKW-OYHNWAKOSA-N 435.503 4.048 10 20 IICD COc1ccc(N2CCN(c3ncnc4cc(F)c(Br)cc34)CC2)cc1F 762800427 DFNUOLOIKFQCNC-UHFFFAOYSA-N 435.272 4.006 10 20 IICD Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C)n1-c1cccc(C(C)C)c1 765344787 AWAZUEKSPVVTTO-IBVKSMDESA-N 436.644 4.316 10 20 IICD Cc1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(Cl)cc1 772747046 XCYGIUSKTFASDT-OAQYLSRUSA-N 426.948 4.067 10 20 IICD Cc1cc(C)cc(-n2nc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C)c1 777712867 FRSCGLHPHIJQRS-UHFFFAOYSA-N 433.556 4.298 10 20 IICD CCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCN(C(=O)c2ccccc2)CC1 781141428 HVSNBVXBMMWTOM-UHFFFAOYSA-N 449.595 4.067 10 20 IICD CCn1c(/C(Cl)=C\c2scnc2C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 782314174 QSZPIRDQTXAONE-GXDHUFHOSA-N 436.990 4.377 10 20 IICD Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1C(=O)N(C)C 783487253 VYEAATLIADSYNG-GOSISDBHSA-N 444.535 4.012 10 20 IICD O=C(COC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1ccc(O)c(O)c1 783529748 HPULSSHWCHAWDD-UHFFFAOYSA-N 431.853 4.105 10 20 IICD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)n1 784059234 HSNRPMVPMNOXPX-UHFFFAOYSA-N 431.540 4.376 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(C4CCCCC4)c3C)cc2)CC1 787321073 DBHKHQATLVBNRQ-UHFFFAOYSA-N 436.600 4.209 10 20 IICD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 788717417 HTKSGCRVNXKORH-UHFFFAOYSA-N 443.523 4.240 10 20 IICD CCc1c(NC(=O)NCCc2ccc(O)c(O)c2)cnn1-c1ccc(C(F)(F)F)cc1 792457354 QRSNRXFHWYZGFU-UHFFFAOYSA-N 434.418 4.229 10 20 IICD COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)c(O)c1 794382242 SDHDJLUPSCRYCV-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(C(=O)Nc4ccccc4)C3)cc2)CC1 801015236 RVMZDDQWJNHDEQ-JOCHJYFZSA-N 435.572 4.029 10 20 IICD O=C(Nc1ccc(F)cc1OC1CCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 806646749 YQDDZSKDIMXAAC-FQEVSTJZSA-N 444.503 4.302 10 20 IICD Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)C 807408787 UAXTYFGOQCHSCS-IZIIKQMZSA-N 425.573 4.083 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 807670686 IONIAJFRXXWXKL-DEOSSOPVSA-N 431.536 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@]1(C)OCCc2sccc21 812552711 YMSPEMGTTDLLNX-IBGZPJMESA-N 439.375 4.236 10 20 IICD CN(CCC(=O)N[C@H](c1ccccc1)c1cccs1)Cc1ccc(N2CCOCC2)cc1 813734194 LLRZUWGSWNYPCV-AREMUKBSSA-N 449.620 4.312 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)CC1 815901777 DFYZRVJMKSNQMJ-UHFFFAOYSA-N 436.434 4.396 10 20 IICD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1c(-c2ccccn2)nc2ccccn12 820006059 IFCOMZXGTDFWEB-KRWDZBQOSA-N 449.923 4.491 10 20 IICD COc1ccc(-n2ccnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 914439337 IQOMHRIBHUVIBR-UHFFFAOYSA-N 436.581 4.230 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(NC(=O)c2cccs2)cc1 917386326 UOJJWXKKFXMFQO-UHFFFAOYSA-N 437.590 4.484 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 919695120 RZMCRAONNLWSLQ-UHFFFAOYSA-N 447.000 4.295 10 20 IICD Cc1cc(C(=O)NS(=O)(=O)Cc2noc3ccccc23)c(C)n1-c1cccc(Cl)c1 920104912 JYXRYVHGBKJXFG-UHFFFAOYSA-N 443.912 4.149 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1 108430392 NQIYABBOEMXSAK-UHFFFAOYSA-N 442.519 4.493 10 20 IICD CCc1nc2ccccc2n1Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 460752252 MGYGTJSOICERNG-UHFFFAOYSA-N 443.532 4.222 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 726104694 VQOPBQCOQOXPEV-FQEVSTJZSA-N 432.609 4.321 10 20 IICD CC1CCN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cn2)CC1 727104292 RNCJKWMHUWQJMV-XMMPIXPASA-N 436.600 4.205 10 20 IICD CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2c1C 727250909 LJPITUOLJRDZBY-UHFFFAOYSA-N 449.535 4.299 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1Cl 727680822 IIISIIAPFMLNKS-UHFFFAOYSA-N 429.767 4.181 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(C)n1C[C@H]1CCCO1 727864106 SEZYRVBUGFLDRT-FUNKKEAFSA-N 427.595 4.123 10 20 IICD CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 729575825 PFDCNDYLPZITAX-HZPDHXFCSA-N 431.508 4.168 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCNc3ccc(C(F)(F)F)cn3)cc2)CC1 731048836 RWEXHTKBHOPDDU-UHFFFAOYSA-N 435.494 4.248 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 734064372 GCIDVVAOMFNGJL-UHFFFAOYSA-N 446.482 4.392 10 20 IICD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cnc(C(C)(C)C)s1 742607476 VYJRDFIDJHCFAX-DHZHZOJOSA-N 447.626 4.074 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1C 743149263 ITAFAVOXYHCDTM-UHFFFAOYSA-N 431.558 4.053 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](c1ccccc1)c1nccn1C 745389515 NRCBISLIUVSADC-LJQANCHMSA-N 443.345 4.209 10 20 IICD Cc1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 746011604 NHBGAVIGDUFRNG-UHFFFAOYSA-N 435.543 4.120 10 20 IICD C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(=O)c1cccc(F)c1 746187790 UNWKIABTIXHKRJ-FDDCHVKYSA-N 426.532 4.308 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)c3c(C)nn(C)c3C)c2C)cc1F 746931419 RZTZISRTPOCYTK-OAHLLOKOSA-N 425.504 4.422 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)cc1 747302224 COSHKVXNKAJUBN-UHFFFAOYSA-N 443.510 4.481 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc3c(c2)NC(=O)C3)cc1 752238668 BYKRDHVHQYEEOJ-UHFFFAOYSA-N 429.520 4.032 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)NC1CCN(S(=O)(=O)C2CC2)CC1 753863285 YYIGKGDFRUGADC-UHFFFAOYSA-N 427.530 4.180 10 20 IICD O=C(NCCc1csc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 753956064 UBHQCPAQICTPSL-OAQYLSRUSA-N 437.565 4.449 10 20 IICD COC1CCN(C2(CN[C@@H](C)c3cc(Br)cc(F)c3O)CCCC2)CC1 756554951 OUZGWMMCSUOMEQ-AWEZNQCLSA-N 429.374 4.368 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 756671195 LAYNBMAGCXXAMC-BJKOFHAPSA-N 432.572 4.054 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3ccccn3)c3ccccc3OC)CC2)cc1 760862081 IRAWQEUKLSIJQH-VWLOTQADSA-N 446.551 4.110 10 20 IICD C[C@@H](c1noc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1)C(C)(C)C 762148044 HFASGUBGPDZPDH-LBPRGKRZSA-N 446.485 4.301 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 764988959 RTIJUZOBZDITDL-LJQANCHMSA-N 425.573 4.051 10 20 IICD C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 765011697 KDUIXGPMBBNVTJ-FDDCHVKYSA-N 427.976 4.191 10 20 IICD Cc1onc2c(=O)n(CN3CCCc4cc(OC(F)F)ccc43)nc(-c3ccccc3)c12 766353127 ZWTXWYFXBWBKKN-UHFFFAOYSA-N 438.434 4.372 10 20 IICD COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1 767306437 ULNPLZOGJNVSCJ-JKSBSHDWSA-N 445.535 4.225 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](c3ccc(F)cc3)c3cnn(C)c3)cc2)CC1 773294943 XLCZFVUUWARCLB-XMMPIXPASA-N 435.547 4.384 10 20 IICD Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccc2)cc1 773749706 BQPKXWHYNPSYRT-XMSQKQJNSA-N 432.520 4.015 10 20 IICD CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 774137641 GGHFQTRALPHBSV-IBGZPJMESA-N 430.520 4.032 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4C)cs3)cc2)CC1 776302787 VOVFULJBWNCHTC-UHFFFAOYSA-N 442.562 4.432 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c(C)n1-c1ccccc1Br 776600584 AOLLNESIGKYTFV-INIZCTEOSA-N 431.330 4.184 10 20 IICD CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 778662274 XQPNTEWRIAEBOI-UHFFFAOYSA-N 448.478 4.406 10 20 IICD C[S@@](=O)C[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 780895422 SJEMTVXAONMETA-IVZQSRNASA-N 447.192 4.127 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 783831703 WNWSQGDIKOSRQC-UHFFFAOYSA-N 439.902 4.490 10 20 IICD Cc1c(C(=O)NCCCSc2nccs2)nnn1Cc1ccc(C(F)(F)F)cc1 787349326 IQFQIJNZPOQJDT-UHFFFAOYSA-N 441.504 4.022 10 20 IICD CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 787869803 DHHZISPEOJVJQJ-LJQANCHMSA-N 425.573 4.154 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(Cl)cc1C 791245550 BHAUSBJRGZWSJT-UHFFFAOYSA-N 432.948 4.416 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1SCCc2sccc21 791249305 DRHYEDJTEUDRCO-NRFANRHFSA-N 432.611 4.467 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cc(Br)cc(C)c1O 797037998 MCNPPIBUHBIKHX-LBPRGKRZSA-N 428.348 4.189 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1C 797818891 WKSKNDYEXVBKOM-UHFFFAOYSA-N 441.333 4.003 10 20 IICD CSc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807867502 CSFTZJULSZTBQD-UHFFFAOYSA-N 426.582 4.400 10 20 IICD Fc1cc(CNc2cnc(-c3ccccc3)cn2)ccc1N1CCN(c2ncccn2)CC1 813587537 IFTKMVZAOFDPSA-UHFFFAOYSA-N 441.514 4.011 10 20 IICD CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1c1cccnc1 813623414 YCQOZFZFLVFITR-HXUWFJFHSA-N 430.499 4.445 10 20 IICD CNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 837284761 IZLZUDYIXSQMJW-UHFFFAOYSA-N 426.314 4.469 10 20 IICD Cc1cc(-c2csc(NC(=O)[C@@H]3CCN(C)C(=O)C3)n2)c(C)n1-c1ccc(F)cc1 909562751 PSUPKVSPHLNDBL-OAHLLOKOSA-N 426.517 4.164 10 20 IICD COc1c(C)ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1C 914735514 WUNIRBMOKORHNW-UHFFFAOYSA-N 430.416 4.248 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OC(F)F)cc1 916458095 UWQXILUPBSCMRX-UHFFFAOYSA-N 430.373 4.073 10 20 IICD CCCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 916495221 GMUKSOKXHOCCMP-LJQANCHMSA-N 441.572 4.223 10 20 IICD O=C(Nc1cc(Cl)ccc1N1CCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916669506 BPAIQDMOFUWEKT-IBGZPJMESA-N 445.947 4.095 10 20 IICD Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C(=O)N1CCCC1 916680055 CZSWCEBMVCSNRA-HXUWFJFHSA-N 437.540 4.150 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C(F)(F)F)c1 916682068 DNHHFCPLTVPUQD-UHFFFAOYSA-N 427.398 4.011 10 20 IICD COc1cc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(O)c1O 916856176 GZAMWJSEEQGKSD-UHFFFAOYSA-N 445.884 4.104 10 20 IICD Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917710090 ASWHNAWJBBXBIL-GASCZTMLSA-N 441.478 4.472 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(OC(F)F)cc3)cc2F)C[C@H](C)O1 918187186 XSUNDMUVOWJHEE-GJZGRUSLSA-N 437.462 4.040 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nccnc3-c3nc4ccccc4s3)CC2)cc1 918369791 SRTBIDCPEPREOU-UHFFFAOYSA-N 445.548 4.114 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)/C=C\C2=S=C(c3ccc(F)cc3)C=C2)cc1C 918660897 URJQMUGQVLWRTO-RAXLEYEMSA-N 444.553 4.087 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1 918743871 NRUNBAMZYPWNNQ-GFCCVEGCSA-N 447.607 4.358 10 20 IICD CC(C)c1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1-c1ccccc1 919971568 QRQDSAGVYBSMGV-UHFFFAOYSA-N 436.531 4.026 10 20 IICD CCOCCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 920351046 KAROAGIJMPITOE-UHFFFAOYSA-N 448.566 4.343 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1324121010 MHWVOYZTORRUGK-OAHLLOKOSA-N 428.492 4.070 10 20 IICD Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795046161 WEOXXSLBQNLUSH-UADZTWIMSA-N 446.551 4.265 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 108006339 QXCAGDZYWNEQOG-UHFFFAOYSA-N 432.490 4.337 10 20 IICD COc1ccc2cc(/C=C\C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 208645547 XBUVLKVADAIGLJ-ZSOIEALJSA-N 432.520 4.129 10 20 IICD O=[N+]([O-])c1cc(CNC[C@H]2CCN(c3ccc(F)c(F)c3)C2)ccc1N1CCCCC1 725847785 IFBQQVSIZHHLLB-GOSISDBHSA-N 430.499 4.479 10 20 IICD CCCCNC(=O)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 726098878 CCGCIEYKCPROND-UHFFFAOYSA-N 435.524 4.427 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 728755147 XUOCCGYNUZMYRJ-RUZDIDTESA-N 434.628 4.383 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)c2C)cc1C 728915072 KYXNWDUTNWHBFF-OAQYLSRUSA-N 431.584 4.311 10 20 IICD COc1ccccc1SC[C@@H](C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 728948057 CVJPCBTVLXZGOD-SFHVURJKSA-N 445.654 4.476 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 730908612 DPQZXRGLTOLOOG-GOSISDBHSA-N 429.517 4.097 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC(C)C)cc3F)cc2)CC1 731131516 LTXNCPMJUBEAMU-UHFFFAOYSA-N 427.520 4.104 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1 734066330 RTSIZNRVEIQZAA-UHFFFAOYSA-N 434.496 4.353 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)c1 734072520 DVVAYERXWQPKER-UHFFFAOYSA-N 436.533 4.424 10 20 IICD CSCC[C@@H](C)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 736063238 MFOYVKMOLQAIRE-MLJWKTOOSA-N 428.670 4.330 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c4[C@H]3C)cc2F)C[C@@H](C)O1 738461051 UFRKCQINWYNNCK-BRWVUGGUSA-N 429.511 4.407 10 20 IICD C[C@H](OC(=O)[C@H](C)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 738794017 WVYVVIYIDOOVHE-KGLIPLIRSA-N 433.485 4.197 10 20 IICD CN(CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 741734555 GKYTUGUZVWEUAN-MHZLTWQESA-N 443.591 4.055 10 20 IICD CCNC(=O)c1ccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)c(C)c1 743115752 ZWDJDFGBRRIAQY-UHFFFAOYSA-N 434.334 4.267 10 20 IICD C[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 743555109 PYAYTSWYVZIKKZ-MRXNPFEDSA-N 433.474 4.198 10 20 IICD CCOc1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC 743613240 DZPUADHGCKAHPT-QGZVFWFLSA-N 449.498 4.164 10 20 IICD CC(C)c1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 746194488 PAMQNNYGIZTRRG-KRWDZBQOSA-N 432.590 4.328 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)CC2)cc1 746315874 LGWOFUYAUCPSFY-VWNXMTODSA-N 441.547 4.101 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC(OCc2ccccc2)C1 746831668 DZIHXQUZJBOXMV-UHFFFAOYSA-N 448.485 4.154 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2F)C[C@@H](C)O1 748845942 MWRIDAVAHOCWKY-IYBDPMFKSA-N 449.530 4.032 10 20 IICD COc1cc([C@@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)ccc1OCCO 756457673 JVGOGMVOXYRBML-VXGBXAGGSA-N 428.298 4.085 10 20 IICD COc1ccc(N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1Cl 757856119 KPYPSEOCCYEENG-UHFFFAOYSA-N 439.825 4.023 10 20 IICD CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 758161414 FEYFHYMBYMBSRI-UHFFFAOYSA-N 440.146 4.328 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4c(Cl)cccc4Cl)CC3)cc2)C1 759158011 XXBKNPVODSGLCW-MRXNPFEDSA-N 446.378 4.043 10 20 IICD COc1cc(N2CCN(Cc3cc(C)c(C)cc3OC(F)F)CC2)cc(OC)c1OC 761218491 FBLLZSUXCIPGAS-UHFFFAOYSA-N 436.499 4.253 10 20 IICD Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 762269921 FCCKADTXZDUITK-ZJSXRUAMSA-N 434.584 4.052 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(OCc2cccnc2)c1 766485609 WVBFCRQRSAYGGJ-JMIUGGIZSA-N 435.530 4.470 10 20 IICD O=C(CCC(=O)c1ccc(Cl)cn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 768995292 HRCQEIVAVFUSBR-HNNXBMFYSA-N 437.874 4.085 10 20 IICD CCc1nc(-c2ccc(C(=O)N(CC)Cc3cc(Br)ccc3O)cc2)n[nH]1 771027846 LPUNYRMUFSODDP-UHFFFAOYSA-N 429.318 4.165 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2cccnc2N2CCOCC2)cc1 772048777 WLYIYZRMDBAFJW-UHFFFAOYSA-N 444.539 4.330 10 20 IICD C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 772949401 AWMCJONQRLAMSF-IBGZPJMESA-N 425.548 4.139 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1O 775202832 XOKPTOJAEOEOEB-UHFFFAOYSA-N 442.390 4.003 10 20 IICD Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)c4ccc(N(C)C)cc4)CC3)c2c1C 775405285 SCAZXUPOFISGQO-INIZCTEOSA-N 437.613 4.468 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(=O)OC)cc3)n2)cc1 777667310 OGJNSEJXQNQVAO-UHFFFAOYSA-N 433.511 4.188 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 778392399 NVLVHKLPQMGTOW-RDTXWAMCSA-N 439.478 4.079 10 20 IICD CN1C(=O)CCc2cc(/C=C3\SC(=S)N(CCc4ccc(F)cc4)C3=O)ccc21 790592653 UZWKQLAMOJSNQW-UYRXBGFRSA-N 426.538 4.179 10 20 IICD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 792279576 DPZYPUZBJWSDCC-UHFFFAOYSA-N 438.355 4.444 10 20 IICD CCc1c(NC(=O)NCc2cc(OC)ccc2O)cnn1-c1cccc(C(F)(F)F)c1 792485278 CPSRPPIKXATBHV-UHFFFAOYSA-N 434.418 4.489 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1)C1CCCCC1 803677562 QTQBLPOTPZPQHY-OAQYLSRUSA-N 441.616 4.070 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 804353835 CTLSVLKRYUVNRJ-UHFFFAOYSA-N 430.501 4.039 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)c1 806801097 SARHMIDBRAMCTN-QMMMGPOBSA-N 434.212 4.460 10 20 IICD Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917381278 ZUFALUWFOCUSCF-UHFFFAOYSA-N 434.458 4.130 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cc4c(s3)CCCC4)cc2F)C[C@H](C)O1 918220401 XJCIOQJUXZIUCX-HOTGVXAUSA-N 431.577 4.379 10 20 IICD CCOc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918222959 BUDCMFPAMZJQRJ-JOCHJYFZSA-N 427.520 4.108 10 20 IICD COC(=O)COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 919653245 QJMCQOCCKDBZBE-UHFFFAOYSA-N 437.496 4.132 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)cc1 1318242227 XBRVIUCJUJAITR-UHFFFAOYSA-N 435.958 4.209 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(COc4ccc(F)cc4)n3)CC2)cc1 1320394685 NYZHHEWTNSITED-UHFFFAOYSA-N 441.528 4.222 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Sc1ccccc1 1320436804 QCBJCZSQDRLFHC-IBGZPJMESA-N 437.517 4.153 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(C(C)(C)C)cs1 1322549282 NJJCNAKUAKFBTL-AWEZNQCLSA-N 434.581 4.101 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821292523 VMUUSGQPJAINDH-HACGYAERSA-N 446.935 4.216 10 20 IICD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830223263 HJUPBVAIQMCRGF-XZRIDHLOSA-N 434.964 4.031 10 20 IICD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 97576302 PVTJLEYKVOURMN-FQEVSTJZSA-N 426.900 4.451 10 20 IICD Cc1cc(Br)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 108288395 DACKTTJJUJIQCR-HUUCEWRRSA-N 435.337 4.440 10 20 IICD COc1ccc(N2CCC(NC(=O)CSCc3coc(-c4ccccc4)n3)CC2)cc1 110479050 BJFCTYKWENFODS-UHFFFAOYSA-N 437.565 4.369 10 20 IICD C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 116030199 SDKQEYSHEHTMBC-QGZVFWFLSA-N 432.561 4.073 10 20 IICD COc1ccc2nc(C)c(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2c1 117529595 TYMIPZAHGPNNSS-HZPDHXFCSA-N 437.515 4.235 10 20 IICD COc1ccc(N2CCCN(Cc3nc(-c4ccc(Br)s4)no3)CC2)cc1 303568464 MJLAXLIXMJAKMK-UHFFFAOYSA-N 449.374 4.282 10 20 IICD CCCCN(CC)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 725887810 YLRKRYNJNQMSNB-UHFFFAOYSA-N 427.564 4.343 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccc(F)cc2)[nH]n1 726564454 KJKBXJHIAZMAKS-UHFFFAOYSA-N 430.430 4.216 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)n1C[C@H]1CCCO1 727176845 QLQJHWWOQAQWLE-HDAJJNEKSA-N 435.659 4.073 10 20 IICD CCN(Cc1ccncc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 727375861 FBIHEUJKKYEHED-GHRIWEEISA-N 431.608 4.173 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c2c(c1)C[C@@H](C)O2 727860675 FXDPWPXYDCBJPG-FGHSJCFPSA-N 440.546 4.383 10 20 IICD COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 730482645 UKVMFCYPINOKKQ-IPMKNSEASA-N 428.548 4.333 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc4c(c3)OCO4)C1=O)O[C@@H](C)C2 735329324 KACCWMVMSCZYAV-NPLBWUPPSA-N 427.503 4.153 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)C[C@@H]2CCCN(C)C2)sc(C)c1-c1ccccc1 735870658 NSNCVRHGDKIYMG-GOSISDBHSA-N 443.613 4.112 10 20 IICD COc1ccc(N(Cc2ccco2)Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1F 739926563 OZESRANOFIUGOW-UHFFFAOYSA-N 434.489 4.012 10 20 IICD Cc1ccc(OC[C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 742759197 PGCLKUJLOYJOPR-FHWLQOOXSA-N 429.536 4.014 10 20 IICD COc1ccc(N2CCCN([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)cc1 743842908 MLVRTZUGPOWBHM-QFIPXVFZSA-N 445.510 4.004 10 20 IICD CCc1ncncc1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 744801493 HVCZYMUYPSHNSR-OAHLLOKOSA-N 443.450 4.476 10 20 IICD COC(=O)c1ccc(OCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 745812715 YPNFEDUWHYEVQM-UHFFFAOYSA-N 426.513 4.102 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1c[nH]c2ccc(OC)cc12 745817149 JVPMOPFAQDJXDA-UHFFFAOYSA-N 446.345 4.419 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(OC4CCCC4)CC3)cc2F)C[C@@H](C)O1 749415808 LGZYJJRGWNDUOA-QZTJIDSGSA-N 433.568 4.073 10 20 IICD CSCCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 751059890 AELZJOSHWFEHCA-UHFFFAOYSA-N 448.591 4.412 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OC4CCOCC4)c(C)c3)CC2)cc1F 753892300 RSVFNNOVXNORHE-UHFFFAOYSA-N 443.519 4.055 10 20 IICD CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H](c1ccc(C)cc1)n1cncn1 756160194 WZRQYDCGONAUEE-LADGPHEKSA-N 428.540 4.187 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Br)cc2O)cc1 756455699 AVYALSORAXAKJH-CQSZACIVSA-N 441.391 4.034 10 20 IICD C[C@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(Br)ccc1O 756546561 RYDRKFNBQQVEAB-CABCVRRESA-N 436.369 4.457 10 20 IICD Cc1ccc(N(C)[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 758406353 CPUAZDOFGOVVRI-BWKNWUBXSA-N 436.600 4.203 10 20 IICD COc1cc(N2CCN(C(=S)Nc3ccc(C(C)C)cc3)CC2)cc(OC)c1OC 758919180 DUJIYAVDWLHNDJ-UHFFFAOYSA-N 429.586 4.355 10 20 IICD C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N2CCOCC2)cc1Cl 760027569 AEBISKXWALYICU-CQSZACIVSA-N 443.396 4.084 10 20 IICD COc1cc(Cl)cc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O 761198838 VVXRAFKPYKNWNF-GOSISDBHSA-N 444.881 4.236 10 20 IICD O=C(CCc1nc(C2CCCC2)no1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 762167703 NJYPOQDLQRQGAO-UHFFFAOYSA-N 434.487 4.046 10 20 IICD CCc1nc2c(s1)[C@H](N(C)C(=O)NC1CCN(c3ccc(OC)cc3)CC1)CCC2 764354064 TVFLEQHBFVEZHJ-HXUWFJFHSA-N 428.602 4.402 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 764854892 JQOIVIWBBIBBTB-INIZCTEOSA-N 449.960 4.460 10 20 IICD Cc1cc(Cl)ncc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 766255558 WEQCGTNYAKOUQG-UHFFFAOYSA-N 428.842 4.221 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)cc1 767358656 COXQBDYTKSLZQP-CXUHLZMHSA-N 435.368 4.297 10 20 IICD O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769637938 YBGBOYKQCLHGHJ-FQEVSTJZSA-N 428.535 4.136 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(F)ccc1Br 771933107 FBELHJUQNVCWME-UHFFFAOYSA-N 441.366 4.399 10 20 IICD CCN(C)c1ccc([C@@H](C)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 773001429 SIYRHPIYZBCFPI-GOSISDBHSA-N 425.573 4.115 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775622241 SGLUDZOONQVOSE-OALUTQOASA-N 443.510 4.077 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(N(C)C)cc1 776242700 AWUMZLSMWXFHMI-OAHLLOKOSA-N 449.382 4.288 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 780327215 YMPCKESWRJUFMX-UHFFFAOYSA-N 429.542 4.206 10 20 IICD COc1ccc(Br)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784060082 VOLSZLRCVMSMCH-UHFFFAOYSA-N 446.345 4.344 10 20 IICD Cc1ccnc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)n1 784060383 YIYIZZLWYGBQHH-UHFFFAOYSA-N 429.524 4.339 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NOC[C@@H]1CCOC1 788121416 GMUWECNDAOERNG-BEFAXECRSA-N 437.462 4.449 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1 788336781 DOIOQXZBEXAVFP-UHFFFAOYSA-N 437.931 4.270 10 20 IICD CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788932063 LNINUHAXGCUHOV-UHFFFAOYSA-N 445.563 4.160 10 20 IICD CCN(C)c1ccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cn1 790107280 FXYSBTHABACEEP-CYVLTUHYSA-N 426.611 4.265 10 20 IICD CO[C@@]1(C)CCCN(Cc2c(O)ccc3ccc(O)c(CN4CCC[C@](C)(OC)C4)c23)C1 794652938 BKEBEAVTNLNCSR-UIOOFZCWSA-N 442.600 4.253 10 20 IICD COC(=O)[C@]1(C(F)(F)F)CCN(Cc2c(O)ccc3cc(Br)ccc23)C1 795686459 GFFTXDBFHBTTEX-KRWDZBQOSA-N 432.236 4.235 10 20 IICD CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 799186773 GLXGKJMRDUJUGS-UHFFFAOYSA-N 427.551 4.366 10 20 IICD Cc1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c1 799187668 ZIADCSHQTYIXRN-UHFFFAOYSA-N 432.502 4.036 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Cc4nc(C(C)C)no4)cc3)CC2)cc1 801941789 XIIRNHPHRFTYLU-UHFFFAOYSA-N 435.528 4.147 10 20 IICD COc1ccc(-c2ocnc2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 808282082 XHQUEAFILWVJBN-HZPDHXFCSA-N 439.487 4.033 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)sc2n1 834169373 YEGRSARBELDMDO-HDDXYUSQSA-N 427.570 4.126 10 20 IICD O[C@@H](COCc1cccs1)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 836235988 REIWJRCUHWALSD-OALUTQOASA-N 430.595 4.460 10 20 IICD Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 900414214 HZDTVPWEBSBQJE-FQEVSTJZSA-N 435.499 4.394 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3C)n2)s1 915290989 HPXUAUWAIBKMMI-UHFFFAOYSA-N 441.987 4.270 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3cccc(C(=O)O)c3)C1=O)O[C@H](C)C2 916549201 GGWLPOOVPKVGAM-VDCVXVNISA-N 427.503 4.123 10 20 IICD CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 917224550 YKKNTHOUZNACAW-UHFFFAOYSA-N 432.520 4.121 10 20 IICD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C1 917697710 KOGAPURFBFTUOP-RTBURBONSA-N 441.597 4.206 10 20 IICD CC(C)OCc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918209796 IIMUCELDTKAZOI-OALUTQOASA-N 443.563 4.364 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 918429718 MYEOKZKGKIBDEE-UHFFFAOYSA-N 427.854 4.460 10 20 IICD Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)o2)cc1 919968584 GSMDAZBZIZPLQX-UHFFFAOYSA-N 433.552 4.108 10 20 IICD CCCOc1c(Cl)cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920880422 DILQRCQEOWRYBJ-MRXNPFEDSA-N 432.948 4.465 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnc(SC)n3-c3ccc(F)cc3)CC2)cc1 108428530 ZKKIMCIEQCFZBW-UHFFFAOYSA-N 440.544 4.094 10 20 IICD O=C1COc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3CC(F)(F)F)cc2N1 109622832 NHZUOJMYLROTOG-UHFFFAOYSA-N 447.438 4.418 10 20 IICD O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NCc1ccccc1O 109677717 WOTQRNGMZYHTRZ-UHFFFAOYSA-N 434.496 4.188 10 20 IICD O=[N+]([O-])c1cc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)ccc1N1CCCCC1 725850274 WNOBHRBEBHHXDA-FQEVSTJZSA-N 439.434 4.307 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(-c2cccs2)c1 726290697 KBUXORKVLCFWMD-UHFFFAOYSA-N 437.590 4.223 10 20 IICD Cc1ccccc1OCCN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726719928 WJUCWEXJRLAMMP-UHFFFAOYSA-N 433.499 4.286 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 728979194 ZNEFECZOYBQFQU-LBPRGKRZSA-N 430.302 4.148 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(N3CCOCC3)cc2)cc1 731885386 PZCMEDDECKOBSZ-UHFFFAOYSA-N 445.563 4.445 10 20 IICD CCc1nc(CN2CCC(CNC(=O)NCc3ccc(N(CC)CC)cc3)CC2)cs1 732253343 FCWVKRCBCLBJDD-UHFFFAOYSA-N 443.661 4.263 10 20 IICD COc1ccc(O)c(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 734014962 OSUNWDIHOBKKAM-UHFFFAOYSA-N 430.460 4.258 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)c1O 737285593 JUYAQVKRBLHMCU-UHFFFAOYSA-N 428.554 4.389 10 20 IICD CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 739767919 HZXQFUSNVVYENI-UHFFFAOYSA-N 428.536 4.409 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 740888740 OZOZGOGZLIKGSZ-FQEVSTJZSA-N 439.575 4.142 10 20 IICD COc1ccc(-c2nc(CN(C)c3cc(OC)c(OC)c(OC)c3)cs2)cc1OC 741795919 SVDVVOGLBIXBOX-UHFFFAOYSA-N 430.526 4.490 10 20 IICD O=C(Cc1cccc(Br)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800850 VAFMNPLMOWKEJV-INIZCTEOSA-N 439.300 4.378 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)cc2c1OCO2 743285025 RURYGRWIRZIDQO-WSLMLHKMSA-N 425.531 4.183 10 20 IICD COc1ccccc1O[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 743691567 OAJZDEFTNAHFFH-MRXNPFEDSA-N 449.498 4.032 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1F 743905030 IDTWKVWUWUCPAO-UHFFFAOYSA-N 425.426 4.032 10 20 IICD Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746731001 YBDQWMHYZDRGRS-UHFFFAOYSA-N 425.426 4.436 10 20 IICD CCOCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 750531279 VWFABGWQEYQSOA-IBGZPJMESA-N 435.362 4.124 10 20 IICD CNC(=O)c1cccc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)c1 756465678 KQCBOUWZLGSHQR-JTQLQIEISA-N 442.151 4.128 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(Br)cc(F)c1O 756770792 XEZZJYVKPGZSIY-GXTWGEPZSA-N 430.339 4.197 10 20 IICD CCc1c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1CC(C)C 757906861 XWEUJWATWIAIRF-MRXNPFEDSA-N 435.519 4.493 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1C[C@H](O)c1ccco1 758738137 AZZOXRCZUMASFM-ICSRJNTNSA-N 449.498 4.148 10 20 IICD CCOc1ccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OCC 760929972 QOZDVWIRTBTQQK-AWEZNQCLSA-N 432.904 4.368 10 20 IICD CC1CCN(Cc2cccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2)CC1 761184034 SXBRMMFJTZDTTO-UHFFFAOYSA-N 441.959 4.242 10 20 IICD COc1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1O 761213881 JZJWWAJGYLLUMV-FQEVSTJZSA-N 427.932 4.430 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 761972239 HXICAJXQRTWRNO-MRVPVSSYSA-N 429.654 4.216 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc(N2CCOCC2)cc1 762277227 XJERYNFVPKDEQV-NRFANRHFSA-N 437.584 4.101 10 20 IICD CC(C)CCOc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 765980901 UWDBBDZWADOIGC-HXUWFJFHSA-N 430.614 4.197 10 20 IICD Cc1cc(CC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769313624 HSJJLMHLAYSILB-BJKOFHAPSA-N 444.019 4.174 10 20 IICD CC(C)(C)c1nnc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn12 769382609 NPAQLFFTGDPNOU-INIZCTEOSA-N 443.498 4.027 10 20 IICD C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Cl)c(Cl)cc1O 774137301 HAFXSERIYTXUNH-HNNXBMFYSA-N 425.356 4.261 10 20 IICD C[C@H](NCc1nnc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 775261648 WQTGJWWZVKKGRK-HNNXBMFYSA-N 443.345 4.187 10 20 IICD COc1ccc(C(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 775837520 UFBVUKSIQAXQND-IBGZPJMESA-N 447.579 4.326 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CCC(=O)N4CC3CC3)CC2)cc1 776066539 BBZWOAGGIMOWEB-UHFFFAOYSA-N 448.567 4.175 10 20 IICD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1ccc(N(C)C)cc1 776269044 HPGZDFKRVSQIDA-UZUQRXQVSA-N 431.536 4.093 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 776515505 TVBHCAITYFLVQO-WIYYLYMNSA-N 428.577 4.040 10 20 IICD Cc1cc(C(=O)Cn2ccnc2[C@@H](O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 777522958 KCCUQYVNECCFHW-VWLOTQADSA-N 443.503 4.026 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc(S(N)(=O)=O)c1C 777823783 XJYFEOJACBEJRB-GOSISDBHSA-N 438.549 4.060 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3cc(Cl)cs3)SC2=S)c1 778248436 PUJJOGKBFNRFBM-RIYZIHGNSA-N 445.012 4.058 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 778645847 RFWFKZUVMNQEKK-UHFFFAOYSA-N 439.990 4.355 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O 779021680 FKGHMLMJCQCDKN-KBPBESRZSA-N 441.391 4.125 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)CC3 779337124 XEPMKNPXHDPJTQ-NRFANRHFSA-N 446.595 4.042 10 20 IICD COc1cc(Br)cc(CN[C@H](CCO)c2ccccc2Br)c1O 781639652 SNNCUOIHIAZSCB-OAHLLOKOSA-N 445.151 4.139 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)CC1 782081854 MQNLSMOWAYRIGU-UHFFFAOYSA-N 449.599 4.009 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)cc1)C1CCCCC1 782783038 JSPCRMYEVUQOAA-UHFFFAOYSA-N 431.540 4.101 10 20 IICD COc1cc(O)c(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1OC 792179988 KGXVXWPBLDGNHV-NSHDSACASA-N 434.290 4.073 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccnc(Oc2ccccc2F)c1 794797567 OHHXTZIHVYASFS-UHFFFAOYSA-N 441.846 4.336 10 20 IICD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 795054803 BTLRSSXEPWSXFR-UHFFFAOYSA-N 442.567 4.084 10 20 IICD O=C(Nc1ccc(F)c(N2CCOC2=O)c1)N(Cc1ccco1)Cc1ccccc1O 797659408 BQEJBQXGFMHOIH-UHFFFAOYSA-N 425.416 4.315 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)c3nnc4ccccn34)cc2Cl)C1 799860806 GSYDURHCWPEYMN-HZPDHXFCSA-N 426.952 4.179 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCCc3cn4c(n3)CCCC4)cc2Cl)C1 799862680 AWMXVZZKDMELDE-QGZVFWFLSA-N 429.996 4.151 10 20 IICD Cc1c(N[C@H](C)c2cc(Br)c(F)cc2O)cccc1N1C(=O)CCNC1=O 800498665 AFQXWBRBOFKTIQ-LLVKDONJSA-N 436.281 4.222 10 20 IICD CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801990084 UXWKILKVGXPLNX-GOSISDBHSA-N 439.535 4.050 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc(Cc2ccccc2)cs1 807513191 JQLGBSFRPSHSET-UHFFFAOYSA-N 436.320 4.001 10 20 IICD COC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 808623929 UPPMFGDQDZUXTI-OAQYLSRUSA-N 444.959 4.211 10 20 IICD COC(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 810449843 PLYULNZAKQRJBT-AWEZNQCLSA-N 438.858 4.127 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1 811935886 RKPYLCKVWZKIOB-QGZVFWFLSA-N 434.492 4.318 10 20 IICD Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 812992494 IAPALMDEHNCSLF-ZDUSSCGKSA-N 435.355 4.188 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)F)c(F)c3)cc2F)C[C@H](C)O1 815063153 WRQDWUWNLVBOMZ-STQMWFEESA-N 426.410 4.110 10 20 IICD CC(C)c1ccc(CCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 822079975 DJNNJGXGLIZCHW-UHFFFAOYSA-N 442.471 4.466 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2C[C@@H]1C 831884044 IAVFAXNLHFKINT-NSHDSACASA-N 449.504 4.187 10 20 IICD CCN(CC(C)C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914509750 ARWPCWMBHFPXGX-OQLLNIDSSA-N 441.416 4.155 10 20 IICD O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458278 YQGWJKMVZFCFMA-UHFFFAOYSA-N 444.453 4.390 10 20 IICD Cc1cc(C(=O)CSc2nc(O)c3c[nH]nc3n2)c(C)n1-c1ccc(OC(F)F)cc1 916625503 IIDFSVKBSSLSFK-UHFFFAOYSA-N 445.451 4.042 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1c(C)n[nH]c1C 918049312 MGLNGGQXNNPWFG-UHFFFAOYSA-N 434.363 4.403 10 20 IICD CC(C)(C)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 918117733 QPCOSZCWWRJUSO-FYYLOGMGSA-N 436.600 4.365 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 918307246 QANPODCCSQPLAY-UHFFFAOYSA-N 429.611 4.218 10 20 IICD CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)o2)cc1 919970810 ZFAJXRUKDGRLLV-UHFFFAOYSA-N 436.483 4.179 10 20 IICD C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(N2CCOCC2)cc1 920872028 NDZGKXGRFWAAIK-IBGZPJMESA-N 436.556 4.032 10 20 IICD COc1cc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC 920964749 MHRBNPNUTHPLLG-UHFFFAOYSA-N 445.471 4.059 10 20 IICD Cc1c(I)cccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 1116532873 WQEUSVVUYIOSHE-UHFFFAOYSA-N 437.281 4.097 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1254721406 RQNQTOMPIJANMN-CDXJDZJCSA-N 428.598 4.459 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1342951413 MBOHLCSEBOWQNW-UHFFFAOYSA-N 425.798 4.145 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nccs2)C3)cc1 1800513786 VGILUPIFNOTQEN-NUZGMZIFSA-N 434.565 4.116 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc2occc2c1 1800718215 PAQFLHLXJJAXDO-BJWYYQGGSA-N 440.883 4.063 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C(C)C)on2)C3)cc1 1845398299 XSBGIZQXEYVBRE-UHFFFAOYSA-N 446.551 4.336 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 63277278 GSOUCMHAFTVTOO-GDNBJRDFSA-N 433.493 4.328 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCSc3ccccc3)cc2F)C[C@H](C)O1 108440521 HDYWKALAUXTDCZ-ROUUACIJSA-N 431.577 4.421 10 20 IICD CCOC(=O)c1cc2cc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)ccc2s1 472771555 DABBVRHTNHTJNF-UHFFFAOYSA-N 449.532 4.133 10 20 IICD CCC(CC)C(=O)N1CCC(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 486917979 WMZUSCHMXCVCHJ-UHFFFAOYSA-N 427.589 4.062 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Oc3ccc(NC(=O)c4cnn(C)c4)cc3)c2C)cc1 727810110 ZUDXQZGLZGOONO-UHFFFAOYSA-N 444.491 4.308 10 20 IICD Cc1cc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c(C)n1-c1ccc(F)cc1 729254099 STYMZJFIOIHNQZ-JOCHJYFZSA-N 431.471 4.066 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(N4CCCCC4)c3)cc2F)CC1 730134806 LSSKKBSDFASDDD-UHFFFAOYSA-N 439.579 4.280 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2)CC1 731048360 KNHNBQPOGPEKSX-NRFANRHFSA-N 435.490 4.475 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1F 731400200 MBTAKHSRNLNGDN-SFHVURJKSA-N 428.552 4.387 10 20 IICD COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C)Cc2ccccc2O)cc1 731843035 OLYIHUFQKFOLSR-UHFFFAOYSA-N 433.508 4.114 10 20 IICD CCOc1cc2[nH]ccc(=NCc3ccc(N4CCC(O)CC4)c(F)c3)c2cc1OCC 732804273 ZPCPRPIKQVZLBR-UHFFFAOYSA-N 439.531 4.166 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 732900086 XPXJYDYJWPWCAL-HXUWFJFHSA-N 445.454 4.101 10 20 IICD O=C(N/C(=C\c1cccnc1)C(=O)N1CCc2ccc(Br)cc21)c1ccccc1 733155236 XVIUSMCLCVHALE-MOSHPQCFSA-N 448.320 4.204 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 734071287 SBHQBPLUXCYITE-UHFFFAOYSA-N 442.519 4.312 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cc(N3CCNC3=O)ccc2F)c1C 738698135 VVABFXKZLNOIEM-UHFFFAOYSA-N 449.482 4.111 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)CC1 739599395 QRTONKMKFUFMGT-UHFFFAOYSA-N 429.586 4.252 10 20 IICD Cc1cccc(CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742748912 ANFLBGRBTVNSGJ-JOCHJYFZSA-N 425.573 4.376 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743080480 YHPNMMMLFPNJMO-INIZCTEOSA-N 448.470 4.046 10 20 IICD O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N(Cc1ccco1)Cc1ccccc1O 743428736 JKOXWRJLNAJTFP-UHFFFAOYSA-N 425.872 4.011 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2c(C)cnc2O)cc1 743807569 DSBQLMDYYKLSLT-UHFFFAOYSA-N 430.302 4.017 10 20 IICD Cc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2c1 746838265 TZQGATXMBUVUID-HXUWFJFHSA-N 442.563 4.052 10 20 IICD CC(C)Oc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 748026474 CFBYZPQAVLEOKP-UHFFFAOYSA-N 432.523 4.294 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2C)c1 749730114 IYILVFQIFJJDAA-UHFFFAOYSA-N 442.566 4.184 10 20 IICD COc1ccc(C2(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CCC2)cc1 750723951 BFHURUMMFWAZAH-QZTJIDSGSA-N 426.532 4.186 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752850245 IQCFZQUBLFMCFE-XUZZJYLKSA-N 449.599 4.250 10 20 IICD CCOc1ccc(OCC)c(N2C(=O)/C(=C/c3c[nH]c(C(=O)OC)c3)SC2=S)c1 753139453 UXIOAMCGSJMRGD-MFOYZWKCSA-N 432.523 4.005 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(OCC(F)(F)F)nc1 754552693 QIRPEKLDGDFFKL-UHFFFAOYSA-N 426.350 4.050 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CSc1nc(-c2ccccc2)no1 755492306 CRSUWLFWLBNCAY-UHFFFAOYSA-N 448.342 4.346 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1cccc(Br)c1 755643413 MMEDXGQNMZTPRH-UHFFFAOYSA-N 442.313 4.005 10 20 IICD Cc1noc(C)c1CCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 756161691 IEFDOMKADXOBAN-WJDWOHSUSA-N 436.580 4.120 10 20 IICD C[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)c(Cl)c1O 756556940 YHWRLKQDZSSNHA-PBHICJAKSA-N 436.383 4.247 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1F 760037163 LJHSWDJGRGGQAG-UHFFFAOYSA-N 433.491 4.123 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 760821259 ZGKYAIJGQXRUMN-QGZVFWFLSA-N 433.574 4.054 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 770302747 YLINUWZCCCSQEG-HOCLYGCPSA-N 449.382 4.256 10 20 IICD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773742615 XQRYRYLJQPLBEN-MNOVXSKESA-N 428.710 4.028 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccc(N(C)C)cc1 773844446 BADWHGVMSGQVPK-QGZVFWFLSA-N 434.565 4.256 10 20 IICD COc1c([N+](=O)[O-])ccc(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1O 774822675 NGQOANVHSXLSAL-UHFFFAOYSA-N 447.797 4.052 10 20 IICD C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 775253634 AEKVRASJIIFMPQ-HZPDHXFCSA-N 436.383 4.358 10 20 IICD COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)n2)c(OC)c1 775836031 XNKYKSDBSXGWPB-HNNXBMFYSA-N 440.569 4.183 10 20 IICD COc1ccc(N2CCC(N[C@H](Cc3ccccc3)C(=O)NCc3ccccc3)CC2)cc1 777072421 WLZIWLJYGQBSHR-HHHXNRCGSA-N 443.591 4.181 10 20 IICD COc1ccc(SCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 780760257 QESYPMDXUKUHMI-UHFFFAOYSA-N 428.598 4.093 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C(F)(F)F)cnc1O)c1ccc(N)cc1 783484177 AFDTUKOIEUWYPC-CYBMUJFWSA-N 444.413 4.121 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 784026107 BZEDSQGADYPFDJ-UHFFFAOYSA-N 444.837 4.364 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 788462994 JUJUGPDVFMEYLP-INIZCTEOSA-N 437.565 4.440 10 20 IICD C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(N(C)C)cc1 790833203 AGMZLVHZPLBXMU-ZDUSSCGKSA-N 447.333 4.252 10 20 IICD COc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c(O)c1 797625238 NBEZYBLLUOKYIR-UHFFFAOYSA-N 426.860 4.023 10 20 IICD CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)ccc1F 807072948 DBOMSLJPCFIELW-AWEZNQCLSA-N 445.922 4.173 10 20 IICD CCOC(=O)c1c(NC(=O)COCc2ncc(C)o2)sc(C)c1-c1ccc(F)cc1 808055345 NAJGFOFHBYMGTI-UHFFFAOYSA-N 432.473 4.491 10 20 IICD O[C@H](COCc1cccs1)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 836235977 REIWJRCUHWALSD-MOPGFXCFSA-N 430.595 4.460 10 20 IICD CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CCC2 837753942 ZLPMYICMNZVNJG-KNTRCKAVSA-N 442.563 4.044 10 20 IICD Cc1cc(-c2csc(NC(=O)[C@H]3CCN(C)C(=O)C3)n2)c(C)n1-c1ccc(F)cc1 909562747 PSUPKVSPHLNDBL-HNNXBMFYSA-N 426.517 4.164 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC(C)=O 915849784 CNNBYQAJUFEFFX-WOJGMQOQSA-N 429.519 4.343 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)c(F)cc2N1 917869335 MXUYHJDTIVVMJZ-UHFFFAOYSA-N 443.934 4.350 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)c4ncccc34)CC2)cc1 918546611 UBLIEZFLTOZETO-UHFFFAOYSA-N 428.439 4.199 10 20 IICD Cc1cc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 918658040 BYDRCNBUYQGHGQ-UHFFFAOYSA-N 430.957 4.222 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)s1 918741822 KWTQXHZLJVHEFZ-GFCCVEGCSA-N 435.596 4.486 10 20 IICD CCNC(=O)c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919657014 NNWNGZUMJFPZCE-UHFFFAOYSA-N 434.540 4.007 10 20 IICD C[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(N2CCOCC2)cc1 920881106 CGSJAIWAWULFBL-QKKBWIMNSA-N 448.350 4.200 10 20 IICD CC(=O)Nc1ccc(N[C@H](C)c2cc(Br)cc(Br)c2O)nc1 1254736994 OHILFMUPQJIFBU-MRVPVSSYSA-N 429.112 4.444 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccc(N2CCOCC2)cc1 1318838499 RDUHALKVNANWMT-MAUKXSAKSA-N 435.977 4.082 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2C)cc1F 8761516 IGMGLMUNKNVQOY-UHFFFAOYSA-N 434.427 4.043 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc21 482570903 FGORIPGEDLMZNG-QHCPKHFHSA-N 435.524 4.274 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)Cc3ccc(F)c(F)c3)ccc21 486146738 FERMJWIANKVBFD-UHFFFAOYSA-N 443.538 4.387 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 728524251 XUZOGDHNQBDCGX-IBGZPJMESA-N 436.581 4.105 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729175862 HHNLXLJTZLSEAS-HXUWFJFHSA-N 431.989 4.018 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(-n3ncc4c(O)ncnc43)cc2)c1 729316212 CAUZIKOHJXCHLQ-UHFFFAOYSA-N 438.491 4.489 10 20 IICD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 731617996 PFGRUFWTPCOLIX-LJQANCHMSA-N 448.519 4.307 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 734177492 LUOZOQUVGGAFSP-QGZVFWFLSA-N 439.581 4.356 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 741070532 ANLMBCCVIMQMSZ-UHFFFAOYSA-N 444.601 4.491 10 20 IICD C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754999 UBLLTZSHZCYDEP-HRAATJIYSA-N 445.535 4.041 10 20 IICD CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 743630552 DIZIEOIKVKYUSK-UHFFFAOYSA-N 433.552 4.495 10 20 IICD CC(C)[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc(C2CC2)no1 745798753 KMTMYRCCKRQVAX-MAUKXSAKSA-N 449.502 4.214 10 20 IICD C[C@H](Sc1nnc(C2CC2)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746394129 OFNZHSDZCVNKCN-NSHDSACASA-N 435.530 4.310 10 20 IICD Oc1ccccc1CN(C[C@H]1CCCO1)C(=S)NCc1ccc(Br)cc1 747646369 MNRKYZVKZBOMKR-GOSISDBHSA-N 435.387 4.210 10 20 IICD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2O)cc1OC 748354318 ZWQZTEKXORMDKQ-UHFFFAOYSA-N 443.503 4.251 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCSCC1 749000505 MJZNRVCEJRCJDZ-UHFFFAOYSA-N 447.004 4.052 10 20 IICD C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(F)cc1F 751059191 WYGRBPFYBGZAQC-LLVKDONJSA-N 438.477 4.024 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(COC3CCOCC3)cc2)C2CC2)cc1 752685951 AAWQIVURNIWIFG-UHFFFAOYSA-N 437.584 4.322 10 20 IICD CSCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754548423 NYNFNLXRTHUTDD-UHFFFAOYSA-N 441.512 4.313 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 754943548 DZORBTOEUOIMLC-UHFFFAOYSA-N 448.910 4.158 10 20 IICD C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)cc(Cl)c1O 756637025 YXGUUBGUJZZCHZ-LLVKDONJSA-N 432.767 4.204 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1Cl 757500638 OMIQGACZMHMVDT-UHFFFAOYSA-N 426.878 4.190 10 20 IICD Cc1cc(C(=O)CSc2ncc(C(C)(C)C)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 759713889 MRRYBFFPQMFGHY-AWEZNQCLSA-N 426.629 4.194 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@H]1c1cccc(Br)c1 761223631 LGLXPDXNIREXDD-JKSUJKDBSA-N 435.705 4.128 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(Br)c2O)cc1 765730513 CGCCZEJWUVKDDB-UHFFFAOYSA-N 440.293 4.324 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)c1 767358535 BMFIRCZVVNIJAF-GIDUJCDVSA-N 434.340 4.208 10 20 IICD COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 773816254 FITNJFSIDPJFNF-DLBZAZTESA-N 437.500 4.024 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1)c1ccc(N(C)C)cc1 773855023 DPENQBPBHMMBFE-IBGZPJMESA-N 436.600 4.333 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 775368601 BMAITHZGNRLARO-KSSFIOAISA-N 425.510 4.084 10 20 IICD CC(C)(CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 780306033 GNRHTMQQCHOGAD-UHFFFAOYSA-N 427.389 4.072 10 20 IICD O=C(c1csc(Cc2cccc(F)c2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 780495481 OHNWZYMBMHRWQM-IBGZPJMESA-N 426.513 4.400 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Br)cc1F 783220506 FKOFQBUFGXVKFO-GOEBONIOSA-N 434.353 4.141 10 20 IICD CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cn1 790081824 UFWZGNJEVCUUHB-UHFFFAOYSA-N 441.329 4.140 10 20 IICD Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc(Cl)c1O 793612996 IGKCNXSIZVYYLU-MRXNPFEDSA-N 441.359 4.227 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 795992284 HWBYKMPUJBWESP-UHFFFAOYSA-N 444.457 4.299 10 20 IICD COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)N1CCCC1 796434677 OGTOWDJDVPGASI-UHFFFAOYSA-N 431.341 4.104 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 799204452 ODQNJZSXQFWYAS-WOJGMQOQSA-N 431.535 4.122 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCc2cc(F)ccc21 801076353 HTAARRRLGHUIOH-SFQUDFHCSA-N 432.567 4.458 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(F)F)cc3F)cc2F)CC1 801866765 RKPUUPBNTASXRV-UHFFFAOYSA-N 440.441 4.030 10 20 IICD Cc1cc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2[nH]c(C)c(C)c2c1 803322681 NLEBVVTWKFLDOQ-UHFFFAOYSA-N 446.595 4.358 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 807192826 RFDMFHHQJPWVLQ-URXFXBBRSA-N 438.568 4.113 10 20 IICD CC[C@@H](C)N[C@H](CNC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccco1 807445694 YDTNURZYKPMYCB-RHSMWYFYSA-N 438.366 4.409 10 20 IICD CNC(=O)c1cc(Oc2ccc(NCc3cc(Br)ccc3O)cc2F)ccn1 810172585 PJPIJMRNOFKAPY-UHFFFAOYSA-N 446.276 4.453 10 20 IICD CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1O 810212875 GDNJTUIQWYGSQF-SCLBCKFNSA-N 430.492 4.463 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OCC 812562176 MHGVCYASBJFIGK-UHFFFAOYSA-N 446.550 4.343 10 20 IICD Cc1cc(C2=N/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)ccc1[N+](=O)[O-] 912758495 POPAFPAPGNGIKN-SFQUDFHCSA-N 436.424 4.146 10 20 IICD Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O 915850079 ZRKYRGUZEDFSDW-WOJGMQOQSA-N 435.530 4.134 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@@H](C)N4C(=O)CCC4=O)n3)c2C)cc1 916037689 HYXCHVSLRBMCMF-MRXNPFEDSA-N 436.537 4.002 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3c(-c4ccccc4)nc4sccn34)cc2)C1 917437418 NWCCOGQNSVGFST-HXUWFJFHSA-N 445.592 4.054 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N4CCCCCC4)nc3)cc2F)C[C@@H](C)O1 917715347 PNYCCGJCFNKFKR-KDURUIRLSA-N 440.563 4.145 10 20 IICD CC(C)(C)c1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 920222023 JUROHWNSGOMQQM-UHFFFAOYSA-N 427.492 4.226 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)c(C)c1 1318212912 MBAMJVFFKQHGSA-UHFFFAOYSA-N 427.551 4.421 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C2CC2)n(-c2ccccc2)n1 1322446646 IDHDMDUCQBPYKO-UHFFFAOYSA-N 434.455 4.172 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(NC(C)=O)c(F)c2)n1 1324921070 NWDJMMQTICXKPT-UHFFFAOYSA-N 435.502 4.025 10 20 IICD CC(C)n1ncc2c1[C@@H](NC(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 1342638971 RSFMJNFQKKFCBK-XLIONFOSSA-N 447.530 4.411 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1 1797739953 PUEHOHZSQVFRNY-NRDMVMEKSA-N 427.495 4.001 10 20 IICD CCOc1ccc(CN(C)c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1 14213407 VNXKRRVZINBONG-UHFFFAOYSA-N 440.250 4.309 10 20 IICD COc1ccccc1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 23512915 WRXCTVPCNOBPQU-UHFFFAOYSA-N 434.831 4.164 10 20 IICD COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)cs3)CC2)cc1 29843440 PBCIQIFHHPKJGC-UHFFFAOYSA-N 425.579 4.260 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3nc4ccccc4s3)cc2F)C[C@@H](C)O1 108291616 RPCLQAGXIZPESE-WTBPUQPLSA-N 425.529 4.379 10 20 IICD C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 248378291 JDAGJBOSPYJZCZ-HNAYVOBHSA-N 434.330 4.130 10 20 IICD COc1ccc(N2CCCN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)cc1 301315374 MFFZNJPTXSFTKS-UHFFFAOYSA-N 429.446 4.283 10 20 IICD COc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc(Br)c1OC 471769228 KJZVMIRXIBWBON-UHFFFAOYSA-N 446.345 4.266 10 20 IICD CC(C)(C)c1nc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1 726753477 BSLIYJKHQYLIRZ-UHFFFAOYSA-N 441.519 4.155 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 727244068 RSEPCDWSKGEUFN-UHFFFAOYSA-N 434.514 4.462 10 20 IICD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 728134714 KBBGVHNSFAUZDW-LJQANCHMSA-N 431.536 4.456 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc1 739069709 KRZNOCIIPCZMNR-UHFFFAOYSA-N 437.462 4.037 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSc3ccccc32)NC(=O)OC(C)(C)C)cc1 742752835 HOIWKNFJRDLFTH-PMACEKPBSA-N 441.597 4.324 10 20 IICD CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742798942 DMYFBGDCMZTYHN-GOSISDBHSA-N 446.494 4.435 10 20 IICD CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743101002 LXRKCNYUPBCFSO-QGZVFWFLSA-N 432.471 4.427 10 20 IICD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCOc2cc(N(C)C)ccc21 744380130 JKZDMXVVAFATNX-UHFFFAOYSA-N 428.895 4.138 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccncc2)cc1 746424564 DFMLGYWXTOVKNY-HXUWFJFHSA-N 430.552 4.488 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1F 746979480 MWIWCOBLMBAVCG-UHFFFAOYSA-N 425.464 4.128 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 747404611 VBJUEDCESBBGPB-HXOBKFHXSA-N 429.536 4.016 10 20 IICD COc1ccc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1 749295795 BCTMOAJCVAWDNO-SANMLTNESA-N 435.543 4.238 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccccc3SC(F)F)cs2)cc1 751937518 PMHPGVPFUZOZJK-UHFFFAOYSA-N 449.504 4.426 10 20 IICD C[C@@H](NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 752006373 GFSJZZTZHVXLLE-PXDATVDWSA-N 437.584 4.018 10 20 IICD Cc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OC(C)(C)C)c1 753920992 LASVUWZNCZFUEL-UHFFFAOYSA-N 443.563 4.272 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)C2CC2)cc1 754929602 OENRNFLUWUFYNX-UHFFFAOYSA-N 430.508 4.070 10 20 IICD CCN1CCN(Cc2ccccc2CN[C@@H](C)c2cc(Br)ccc2O)CC1 756431961 HIKTUXVXTDVMIS-KRWDZBQOSA-N 432.406 4.143 10 20 IICD CC1(OC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCC1 757918511 GRRDOSPFVVUMCY-UKTHLTGXSA-N 426.357 4.136 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(N2CCOCC2)=NC1=O 759074508 FQXDJNCJRVBESA-SSZFMOIBSA-N 430.961 4.126 10 20 IICD CCc1ccc([C@H](NC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c2cccs2)cc1 759593321 BQIIDTCVIZHMOL-IPTXASRGSA-N 437.517 4.184 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C3CCCC3)n2)NC(=O)OC(C)(C)C)cc1 763418950 MUJRALBKIYWSOP-OAQYLSRUSA-N 441.576 4.060 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 763936328 CMZLGPUIKFDMPK-GASCZTMLSA-N 447.532 4.390 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1cccc(Br)c1O 765453552 NUZUTJBDQJJYQX-UHFFFAOYSA-N 443.345 4.016 10 20 IICD Cc1cccc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccn2)c1 766252211 QBTKRWYLRAZTEP-SANMLTNESA-N 444.579 4.188 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1CCCc1ccccc1 769033843 NNVDVNGXRZVARS-QFIPXVFZSA-N 439.575 4.484 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 772153650 YTLFRBDBSRPMLD-HKUYNNGSSA-N 428.558 4.254 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)Cc3cc(C)nn3-c3ccccc3)CC2)cc1 773047598 JOSJHXGDWOICAI-IBGZPJMESA-N 447.583 4.089 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1 778603429 FLXFAMANGGMVQP-CYBMUJFWSA-N 432.904 4.192 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cccc(NC(=O)c2cccc(Br)c2)c1 778926510 VWUVVYKWLKRXCP-UHFFFAOYSA-N 441.281 4.043 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 779160542 FIOOLNJXRGJEEV-MJGOQNOKSA-N 432.565 4.320 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 779677494 QPSWUSLAAPZPHI-UHFFFAOYSA-N 430.593 4.240 10 20 IICD O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 783095461 LYTOYLBCGSSMKB-UHFFFAOYSA-N 447.878 4.276 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(Br)c1 783318158 VBUZHNJXTACKPT-UHFFFAOYSA-N 432.362 4.199 10 20 IICD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 786438292 XULZFVUOYXCXQE-INIZCTEOSA-N 449.301 4.193 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 797741226 ZWLDLTVBJSIFIB-UHFFFAOYSA-N 438.311 4.418 10 20 IICD COCc1nc(C(=O)NCc2cccc(Br)c2O)c(-c2ccccc2)s1 799728937 IRDBECYZFDQUKB-UHFFFAOYSA-N 433.327 4.355 10 20 IICD C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CS2 800367581 YKMRPKQUHDYHSC-PGRDOPGGSA-N 438.509 4.038 10 20 IICD C[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H](C)c1ccccc1C(F)(F)F 806276636 HCGHUVSCUNFDKT-STQMWFEESA-N 445.532 4.069 10 20 IICD C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](c1ccccc1)N(C)C 806685040 NWOLPOKQXRUVQC-HTAPYJJXSA-N 446.542 4.247 10 20 IICD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cc(Cl)cc(Cl)c1O 807836058 OLIGOMPMGCGBIC-UHFFFAOYSA-N 434.073 4.229 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc2c1OCO2 814280963 MUPUQUZGMXMJAO-NVNXTCNLSA-N 437.445 4.431 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 814819049 UQMQFCFEZQVEDB-UHFFFAOYSA-N 426.948 4.422 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1 818638104 BPXQRCPMGCLHHD-HTAPYJJXSA-N 434.515 4.110 10 20 IICD CCOc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OCC 914906546 NEPAGXIMARPOSK-UHFFFAOYSA-N 437.496 4.082 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 917710225 BTSWJSQZNUBQJW-KZNAEPCWSA-N 426.532 4.012 10 20 IICD Cc1cccc(C2(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CCCCC2)c1 917837539 XXEDNSWSQXLGEE-QFIPXVFZSA-N 433.596 4.215 10 20 IICD CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cc1 918198644 FXIRWBLFUKJISZ-GHRIWEEISA-N 435.617 4.084 10 20 IICD Cc1cc(C)c(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)c(C)c1 919809529 SRGKPYOTJZLEMT-UHFFFAOYSA-N 431.539 4.065 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cscn3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776006 ZESSJOWDWNOMTL-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)c[nH]2)cc1 1802042006 IHQMWVLBIZCLOI-QQFNCUIESA-N 434.515 4.127 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(OC(F)F)c(Cl)c1 96971030 PTHSBEHWTMKVLT-MRXNPFEDSA-N 440.874 4.267 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)n1-c1ccc(C#N)cc1 303164355 HPJLJUAXHMBTJC-UHFFFAOYSA-N 446.938 4.217 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3F)nc2)n(C)c2ccccc12 472805950 FVACPOBFSRPLEZ-UHFFFAOYSA-N 432.455 4.068 10 20 IICD Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1 499631956 AVCNOIPDCANPFM-UHFFFAOYSA-N 436.924 4.303 10 20 IICD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 549269518 OXNKKMVUDBJGKC-UHFFFAOYSA-N 430.483 4.251 10 20 IICD CC(=O)Nc1ccccc1-c1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1 574627326 UXHLAODVTBEPTD-UHFFFAOYSA-N 429.524 4.465 10 20 IICD CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 725745114 WQBKUSBQMFRDJO-UHFFFAOYSA-N 427.302 4.462 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccc(Br)s3)CC2)cc1 726612036 WQHFSBIGJOUJCF-UHFFFAOYSA-N 438.391 4.030 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 728309219 MCKIPJGNFPIMJC-XUZZJYLKSA-N 439.575 4.388 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)c2C)cc1 728915129 NGOGJBNTQQNIRG-FQEVSTJZSA-N 447.583 4.093 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1 729277618 FKGISWGBPPSPMV-LBPRGKRZSA-N 444.329 4.457 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(F)cc3F)cc2)CC1 731016819 PATGNBQJYDDKMO-UHFFFAOYSA-N 429.511 4.028 10 20 IICD CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(Cl)cc1 731016836 PYENQEHQMZEKOP-QHCPKHFHSA-N 427.976 4.460 10 20 IICD CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 734807083 TVDYRQJJKJLMLZ-UHFFFAOYSA-N 429.523 4.447 10 20 IICD Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 740609947 PTUMGMNEZXCMPU-UHFFFAOYSA-N 443.613 4.103 10 20 IICD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 740800938 JHGJRPZGHNCDCR-UHFFFAOYSA-N 433.549 4.145 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cncc3ccccc23)NC(=O)OC(C)(C)C)cc1 742750791 PRPYRNYRTMOWKJ-QFIPXVFZSA-N 434.540 4.297 10 20 IICD O=C(COCc1nc2ccccc2s1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799953 OIZPJHZLNPQPKE-OAHLLOKOSA-N 447.507 4.200 10 20 IICD COc1ccc(CCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743544449 XKUGKGNIDPQBIB-GOSISDBHSA-N 433.499 4.197 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc2c1cnn2C(C)C 743808926 HIPLTPMBZALSFK-UHFFFAOYSA-N 431.334 4.451 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1 743907152 WFUJCJSEQFHOMH-LBPRGKRZSA-N 427.526 4.124 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1ccc(F)cc1 746135428 OENMKMPOXOSQMR-RTBURBONSA-N 445.554 4.105 10 20 IICD Cc1ccc(Sc2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2[N+](=O)[O-])cc1 747148001 MZIQZXZPAHUMIK-CPNJWEJPSA-N 441.534 4.357 10 20 IICD C[C@H](NC(=O)N1CCc2c(Br)cccc2C1)c1ccc(N2CCOCC2)cc1 749416383 RUAVXLBWKUEFHN-INIZCTEOSA-N 444.373 4.115 10 20 IICD Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 751152404 OWAGNHKBCAAVQK-MRXNPFEDSA-N 440.455 4.308 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@@H]1c1cccs1 751931663 RSSMDUZNGBKTRG-RDTXWAMCSA-N 441.578 4.287 10 20 IICD COC(=O)COc1ccccc1[C@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 753664758 QCVHGBFTWZDDFC-IRXDYDNUSA-N 434.483 4.159 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCC2(c3ccc(Br)cc3)CCOCC2)c1 756527475 SOLJWCPMAQAOEY-OAHLLOKOSA-N 448.357 4.340 10 20 IICD COc1ccc(O)c([C@H](C)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 756591300 QOHJXPOSZIGCFL-ZDUSSCGKSA-N 442.375 4.066 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 757661425 BQICYDLRSGZUON-HNNXBMFYSA-N 444.532 4.120 10 20 IICD Cc1ccc(-c2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cs2)n1C 758900369 CAFVTPWJJDOLRN-HXUWFJFHSA-N 438.597 4.344 10 20 IICD CC(=O)[C@@H]1C[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1(C)C 759903545 YWHRSXXLFFUQJH-HLAWJBBLSA-N 445.604 4.076 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCc1cccc(Br)c1 760321211 SDUGCQYLKWHBQF-UHFFFAOYSA-N 431.374 4.267 10 20 IICD COc1ccccc1[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 764550792 VYEDMAPDHXOCEI-CYFREDJKSA-N 427.564 4.159 10 20 IICD COc1ccc(Br)c(NC(=O)NCc2cccc(Br)c2O)c1 765277033 PQLJFDVTWBOJKW-UHFFFAOYSA-N 430.096 4.248 10 20 IICD O=C(Nc1ccccc1O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 768214088 ZFIOMVLJYKOYDJ-UHFFFAOYSA-N 438.528 4.141 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 773746024 SYUORNTXNHKHOF-WHSLLNHNSA-N 428.529 4.047 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(C)cccc3F)cc2)cc1 775244669 CNUIUGQEYOCAMX-UHFFFAOYSA-N 434.514 4.044 10 20 IICD Cc1cc(Br)cc(CNc2cccc(C(=O)N3CCCC[C@H]3CCO)c2)c1O 775753171 HZMGKVCRUCYAPS-FQEVSTJZSA-N 447.373 4.452 10 20 IICD Cn1cc([C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccc(F)cc2)cn1 776196597 HFZHKDUNUAUBOK-HSZRJFAPSA-N 434.471 4.359 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc([N+](=O)[O-])ccc1OC(F)F 779362362 ZOTMYCBIAAPFQB-UHFFFAOYSA-N 425.351 4.158 10 20 IICD COC(=O)c1sc2[nH]c(CN(C)c3ccc(OCc4ccccc4)cc3)nc(=O)c2c1C 781960598 KJQMKQPBJDWBFX-UHFFFAOYSA-N 449.532 4.295 10 20 IICD CCCOc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423717 GCOKIFRUSLVYNX-UHFFFAOYSA-N 435.524 4.302 10 20 IICD C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n1 784110138 BSCKSEVPGGVNQZ-SFHVURJKSA-N 431.540 4.237 10 20 IICD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 785293184 CXVMJNYVJMCMHQ-MSOLQXFVSA-N 448.519 4.232 10 20 IICD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cs1 788466334 WOFRGVVYQDDHLG-INIZCTEOSA-N 436.581 4.020 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 789835983 KZDCKOGPDYWARF-LBPRGKRZSA-N 429.860 4.349 10 20 IICD CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1 795555302 UXLHTBTWDRRNPI-UHFFFAOYSA-N 436.511 4.006 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3C(=O)c3ccco3)cc2Cl)C1 800046905 DNHAMSBMPZHYJO-LAUBAEHRSA-N 443.975 4.480 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NCc1nn(-c2ccccc2)c2c1CCC2 804936886 ZGODOTPVFZCLLP-UHFFFAOYSA-N 431.323 4.373 10 20 IICD CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806846282 ITQBDQXLNWIXMV-RTWAWAEBSA-N 432.351 4.169 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 806846296 JCQHGKOAAMQLHO-OAHLLOKOSA-N 437.462 4.069 10 20 IICD CN(Cc1ccccc1O)C(=O)C[C@@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1O 809612834 BQDCWOXQOODPLD-FQEVSTJZSA-N 426.557 4.157 10 20 IICD CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 915865469 VWATVPGNVGWYNE-NRFANRHFSA-N 434.496 4.009 10 20 IICD O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCSCC2)cc1 916233174 RUWSBBKJHYSBGM-UHFFFAOYSA-N 425.476 4.138 10 20 IICD C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 916732567 SJEKXCWOXCTNFN-INIZCTEOSA-N 449.414 4.425 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)cc1 918186729 IBJXZBOPKZJGFF-VWLOTQADSA-N 449.526 4.260 10 20 IICD CCN(CC)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 918308282 JREVZWANCLXHRD-UHFFFAOYSA-N 436.600 4.116 10 20 IICD CSCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc2ccccc12 919969270 HKLIUBZKVBLOTC-UHFFFAOYSA-N 428.529 4.326 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)cc1 1116350433 AHUNPCSDFBBEMB-UHFFFAOYSA-N 433.556 4.060 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1318206731 ZVJYQHQVVCWBNC-MRXNPFEDSA-N 445.972 4.147 10 20 IICD CCOc1ccccc1-c1nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=S)o1 16878869 ZFBGJMHGLKWZAK-UHFFFAOYSA-N 440.569 4.197 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](Nc3nc(C(F)(F)F)nc4[nH]cnc34)C2)cc1 302883418 KXSPIEIZOLAUDH-SNVBAGLBSA-N 428.365 4.054 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)n(C)c2ccccc12 472814837 ZEVHECILXQEYMT-UHFFFAOYSA-N 430.533 4.288 10 20 IICD Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 564155461 DBAZQCNIAMRAHB-UHFFFAOYSA-N 444.516 4.391 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)ccc21 590705070 LEWQGIBOIAXIPD-GOSISDBHSA-N 441.522 4.439 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3c(F)cccc3F)ccc21 728637045 HHUVAVNIMKBPBI-HNNXBMFYSA-N 430.451 4.367 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 729051678 VQUACFTWDUKZJN-AWEZNQCLSA-N 426.542 4.040 10 20 IICD COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(C)n(-c3ccccc3Br)c1C)CC2 733787850 LFHCUGJTWCHMGA-KRWDZBQOSA-N 445.357 4.272 10 20 IICD COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c(OC)c1 741727826 ZLHAUOPHWZFXAY-UHFFFAOYSA-N 426.444 4.289 10 20 IICD C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 741734614 XHPWESPXLKHGDN-JOCHJYFZSA-N 443.591 4.249 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)Nc4ccc(C)cc4)CC3)c2C)cc1 742196444 IZYWTZQHGNLBFG-UHFFFAOYSA-N 446.551 4.401 10 20 IICD COc1ccc(Cl)cc1NCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742806275 RCRDPNZFLTXLAX-OAHLLOKOSA-N 439.890 4.147 10 20 IICD Cc1cc(-c2csc(NC(=O)COC[C@H]3CCCO3)n2)c(C)n1-c1ccc(F)cc1 746386328 QNSFTHIVSLQEAL-GOSISDBHSA-N 429.517 4.491 10 20 IICD Cc1ccc(C)c(-n2ncc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)c1 747367092 YUNRXKJZLJQCBT-UHFFFAOYSA-N 433.556 4.298 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 747916622 RLQKKYLOVOTIGP-UHFFFAOYSA-N 443.519 4.064 10 20 IICD O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1c(-c2ccccn2)nc2ccccn12 751305989 MYSQBKHNWWZYNS-UHFFFAOYSA-N 435.487 4.308 10 20 IICD CO[C@H]1Cc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2C1 752969185 NDSLHQQJSULQIM-RXVVDRJESA-N 431.483 4.192 10 20 IICD CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 754550965 HJDLXOSXMWAMQT-UHFFFAOYSA-N 440.499 4.329 10 20 IICD COCCOc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nc2ccccc12 759381840 PKMLGODKDIJSJE-UHFFFAOYSA-N 432.476 4.401 10 20 IICD C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 760036957 GLRWFRAGESUZIS-PISWEHOVSA-N 430.539 4.226 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(/C=C/c4ccco4)s3)CC2)cc1 763992037 MXLIHOCQEBJQTB-MDZDMXLPSA-N 425.514 4.054 10 20 IICD CC(C)(C)OC(=O)N1CCC(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 765876922 GKDBVBAFZUIDIS-OAQYLSRUSA-N 446.588 4.327 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 766290641 XMZDUHINOPBFNT-DEOSSOPVSA-N 434.515 4.241 10 20 IICD Cc1c(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)sc2ccccc12 769478072 DBYWJGINSNNWTG-UHFFFAOYSA-N 435.593 4.004 10 20 IICD CCn1nc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 769724640 WJWVMYJNBNAZJV-XDHOZWIPSA-N 425.535 4.479 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)cc2)CC1 774420199 RMRQXJROMOCIFJ-OAQYLSRUSA-N 438.515 4.181 10 20 IICD COc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782420626 SCNGXLLQOJBHQA-UHFFFAOYSA-N 441.915 4.175 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cnc3ccccc3c2)cc1 782425188 QUWOIYVELVTJCN-UHFFFAOYSA-N 428.492 4.061 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)cc1 786037478 LYYCEKLVLWFOGZ-HXUWFJFHSA-N 426.900 4.435 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)cc2)CC1 786258232 AQSOJNAKISLENW-MRXNPFEDSA-N 448.394 4.157 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1OC 789729195 YACVMYUHZDYYEU-UHFFFAOYSA-N 438.914 4.060 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cc2Cl)C1 799995334 YTDYPHJXXMZVNN-NRJQMVOHSA-N 438.037 4.430 10 20 IICD CC(C)c1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n(-c2ccccc2)n1 810392117 NRVBSFANXQWINL-UHFFFAOYSA-N 447.583 4.437 10 20 IICD CC(C)OCc1nc([C@H](C)NCc2cc(Br)cc(Br)c2O)no1 811519367 ZSQWDBLAEOYCFB-VIFPVBQESA-N 449.143 4.076 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(-c4ncc5n4CCCC5)c3)CC2)cc1 812967618 LMNSQTBNEUCLST-UHFFFAOYSA-N 431.540 4.249 10 20 IICD COc1cc(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)c(O)c(C(C)(C)C)c1 864029102 YQEATDHIPXBNBQ-UHFFFAOYSA-N 426.557 4.155 10 20 IICD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1O 877856475 SMIAZFABYGFAGF-SFHVURJKSA-N 435.883 4.276 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2ccccc2Br)nn1 914724857 AMCDZJXEDHDQHF-UHFFFAOYSA-N 442.361 4.147 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(-c4ccccn4)no3)c2C)cc1 915050150 WKJSMQGVGOOPLT-UHFFFAOYSA-N 444.491 4.206 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)c2C)cc1 915727914 GZQDBZSXYPBMPV-XMMPIXPASA-N 431.536 4.196 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 916625488 LDVFANFSONNNKD-QFIPXVFZSA-N 427.570 4.119 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H](C)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917067616 PHHITXCGDVMGFE-KSZLIROESA-N 447.982 4.402 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1 918205456 NDXFKJPRZATUMG-OYRHEFFESA-N 438.616 4.141 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1 918311581 USXUTIXNKHNHIG-UHFFFAOYSA-N 442.563 4.260 10 20 IICD Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1S(=O)(=O)NCc1ccccc1 919749435 WIPNLVYBWUAAAZ-UHFFFAOYSA-N 449.576 4.326 10 20 IICD Cc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)n1-c1ccc(Cl)cc1 919847820 XVDRGDMRBVRXEM-UHFFFAOYSA-N 430.961 4.289 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1[nH]c2ccc(Br)cc2c1Cl 919863686 RZLVXYDLHXTKPO-UHFFFAOYSA-N 448.748 4.350 10 20 IICD COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 1116102490 VXXBANXIKAEKBX-UHFFFAOYSA-N 441.437 4.114 10 20 IICD Cc1cc(C(=O)Nc2ccc(Br)cc2C(N)=O)c(C)n1-c1ccc(F)cc1 1319027312 OWJPOMFZNFNIEX-UHFFFAOYSA-N 430.277 4.347 10 20 IICD CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1 1328073049 RXMNSRFNLJCBCN-UHFFFAOYSA-N 437.546 4.112 10 20 IICD CC1=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 1800514366 SIJNSBQJCUYUQR-UADZTWIMSA-N 433.552 4.040 10 20 IICD O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9632946 ALVDKMAXVMALQE-UHFFFAOYSA-N 437.810 4.050 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 110358193 JNFSWXKOQZXGHE-UHFFFAOYSA-N 425.529 4.441 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2O)SC1=S 207427086 VNGWCUSEHLCOQF-WOJGMQOQSA-N 429.519 4.037 10 20 IICD CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 247967428 GVHDMXOHXPGPEP-UHFFFAOYSA-N 436.600 4.229 10 20 IICD COc1cc(NC(C)=O)ccc1NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 435920578 LOIBNMYZHATSCK-UHFFFAOYSA-N 434.540 4.014 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 551248357 WGSHCFHWFQPYAL-UHFFFAOYSA-N 440.931 4.189 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 740919410 RKKPIDBDXZMSPX-UHFFFAOYSA-N 444.501 4.109 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cc(F)c(F)c(F)c1 741400804 JNLVETRYLBNKDO-UHFFFAOYSA-N 433.352 4.281 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(OCC(F)(F)F)c2)cc1 741558260 BQYIISOSDXMNIV-UHFFFAOYSA-N 435.368 4.293 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(c2cccc(F)c2)CCOCC1 742797506 DRWQFUFPABGMCY-IBGZPJMESA-N 448.485 4.261 10 20 IICD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 745841300 LVAIWONNXNXBMB-PMACEKPBSA-N 443.975 4.405 10 20 IICD COCCCOc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 750060492 QUZGFTUXNUEIAN-GOSISDBHSA-N 434.483 4.102 10 20 IICD C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1cc(Br)ccc1O 756459879 YLBSENZTFJJSPK-SECBINFHSA-N 429.108 4.497 10 20 IICD C[C@@H](NCc1ccc(OCCCN(C)C)cc1)c1cc(Br)cc(F)c1O 756532735 GSAVNGOFFFWLKX-CQSZACIVSA-N 425.342 4.475 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)n1 760071220 UXADMFHJZFNLLL-UHFFFAOYSA-N 438.503 4.380 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1OC(F)F 765250915 DQQDWVBYFLNITB-GOEBONIOSA-N 437.918 4.494 10 20 IICD C[C@@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(N2CCOCC2)cc1 765669496 MFRYYNKFTLGETK-HOYKHHGWSA-N 434.515 4.207 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(I)cc(C)c2C)c1 767959005 TZJRHFAMBNRVJU-GFCCVEGCSA-N 425.266 4.113 10 20 IICD Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1Br 769255031 RRBDHYIMVAGFLQ-UHFFFAOYSA-N 444.373 4.249 10 20 IICD C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]2CCCC[C@@H]12 769689918 PCFFCUDVIHZJSX-UWWQBHOKSA-N 434.583 4.295 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1)c1ccccc1 776126747 GNKBBYYYKJOBGM-DVECYGJZSA-N 436.600 4.298 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 777665794 QZXNJXAKKKGPFV-UHFFFAOYSA-N 429.523 4.278 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(CCN(C)C)cc1)c1ccc(N)cc1 783481765 DTOQCETXSHCKIN-IBGZPJMESA-N 430.552 4.106 10 20 IICD CCOC(=O)Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783482790 KQDDFLNBWARKID-SFHVURJKSA-N 445.519 4.107 10 20 IICD COc1ccc(CC[C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 787871802 ITKARYZNDAWRQO-LJQANCHMSA-N 438.568 4.200 10 20 IICD O=C(Cc1csc2ccc(Br)cc12)NCc1ccc(N2CCOCC2)cc1 792083282 XCPUDIYNOHUZKQ-UHFFFAOYSA-N 445.382 4.359 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 800628981 HLRILGZWQMTZAF-UHFFFAOYSA-N 442.409 4.240 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 802004464 FSKNPTVTLCCNJX-UHFFFAOYSA-N 435.524 4.427 10 20 IICD CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 803677330 MJUQXMKEMVEBEM-URXFXBBRSA-N 443.632 4.172 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 809724271 YQRSMXMAMLQPTC-UHFFFAOYSA-N 447.494 4.004 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2F)C[C@H](C)O1 809920437 ZDHOXPUNEYQEQC-STQMWFEESA-N 436.871 4.323 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCO1 812433427 OJNGPYOVMNTVAG-IBGZPJMESA-N 431.540 4.348 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2cccc(Br)c12 812514705 GBNOODOUSHXENN-UHFFFAOYSA-N 429.362 4.381 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC(F)F)c(F)c1 857455350 BGNLRKXSAHSBKN-ZDUSSCGKSA-N 430.373 4.427 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 914851609 JOHGHYHYUCKLKM-UHFFFAOYSA-N 449.529 4.497 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 916387072 ZIDPGGBHPUMJAJ-OYRHEFFESA-N 438.616 4.094 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N4CCCCCC4)nc3)cc2F)C[C@H](C)O1 917715349 PNYCCGJCFNKFKR-OALUTQOASA-N 440.563 4.145 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3OCc3csc(C)n3)CC2)cc1 917821614 AWDWNNGJRNCAKK-UHFFFAOYSA-N 437.565 4.392 10 20 IICD CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)oc12 918199074 RTUWWOUTYMFPAH-MRXNPFEDSA-N 441.503 4.368 10 20 IICD CCCCN(C)CC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918218969 AANWQGCJIWVDPP-WOJBJXKFSA-N 448.627 4.093 10 20 IICD Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920882463 RSYQGUFTRXNPJK-IAGOWNOFSA-N 447.373 4.239 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)ncc3Br)c2C)c1 1320735226 KGIFHROIEQFZLP-UHFFFAOYSA-N 442.313 4.303 10 20 IICD C[C@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 1320979393 BQKLSXTWFATGCW-INIZCTEOSA-N 444.457 4.219 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)cc(Br)c2O)c1 1335784394 DFKAIGFRTXKKFQ-MRVPVSSYSA-N 445.107 4.122 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC2)CC1 1832836540 XOGWZPDOJNUZHW-IBGZPJMESA-N 434.964 4.175 10 20 IICD O=C(c1ccccc1I)N(Cc1ccco1)Cc1ccccc1O 98076266 YFASLEVYAIQUHA-UHFFFAOYSA-N 433.245 4.432 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1 726561669 JSCQFWIOXMSPBA-UHFFFAOYSA-N 433.430 4.474 10 20 IICD CCOc1c(Cl)cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1OC 726611883 VDUZVRRICXJOJQ-UHFFFAOYSA-N 447.963 4.224 10 20 IICD CC(C)c1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 726688363 VMXSJLDEESIMBD-ZDUSSCGKSA-N 448.500 4.226 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c1 727245949 LFXCTJQOUCYQOG-UHFFFAOYSA-N 428.944 4.421 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O 727420798 WRNPGSFTRYJRKE-OAQYLSRUSA-N 434.993 4.103 10 20 IICD C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 728513654 DEPYUFHLTZVJRC-FQEVSTJZSA-N 445.563 4.340 10 20 IICD CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 729054831 MUAPZZYDJIGYJL-HXUWFJFHSA-N 431.964 4.039 10 20 IICD CCOC(=O)c1nc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cs1 731037274 ZWPZUTHKNMWHCF-UHFFFAOYSA-N 431.558 4.297 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN(C)C(=O)OC(C)(C)C)cc1 732114581 ICLUETNVZKWKFR-UHFFFAOYSA-N 427.545 4.161 10 20 IICD CCOc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 732202414 PIYSSUPVQPGTHS-BJKOFHAPSA-N 438.568 4.136 10 20 IICD COC(=O)[C@H]1CC12CCN(Cc1c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc13)CC2 733792292 ZYRCXVQPGRCATI-HXUWFJFHSA-N 433.504 4.249 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Oc2ccccn2)cc1 733845347 CFLUZZVSNWSZSL-UHFFFAOYSA-N 432.524 4.404 10 20 IICD Cc1cc(-c2csc(NC(=O)COC3CCOCC3)n2)c(C)n1-c1ccc(F)cc1 735244933 LBXCYCWIEKUFLR-UHFFFAOYSA-N 429.517 4.491 10 20 IICD COc1cccc(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1O 735329846 DEJIMAJBTWEYMX-UHFFFAOYSA-N 428.535 4.123 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)c2)CC1 739598855 MIMRMGGTJWBPJC-UHFFFAOYSA-N 433.549 4.001 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 741068288 TUGHJSBSFGPIHD-UHFFFAOYSA-N 430.574 4.102 10 20 IICD COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N(C)C)cc1C 741190028 XOOUJNVOQBNKSE-GOSISDBHSA-N 433.390 4.335 10 20 IICD Cc1nnc(SCC(=O)NCc2ccc(N3CCCCC3)cc2)n1Cc1ccccc1 742475995 RZZHNDYWWSHPAS-UHFFFAOYSA-N 435.597 4.034 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)cc2)NC(=O)OC(C)(C)C)cc1 742752824 HNNQCDSWELLBQC-LJQANCHMSA-N 449.498 4.350 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(CN2CCCC2=O)c1 743089938 NZGGKPIIWLUYGC-UHFFFAOYSA-N 446.345 4.331 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1cccc2cccnc12 745182502 FSMXJCZVHIRPEL-UHFFFAOYSA-N 444.457 4.090 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(-n2cccn2)cc1 745526598 CCEOJCSDJQLKBR-UHFFFAOYSA-N 429.318 4.072 10 20 IICD O=C(NCCCS(=O)(=O)c1ccccc1)N(Cc1ccccc1O)C1CCCCC1 745783555 VTTPXSQEIGTJGS-UHFFFAOYSA-N 430.570 4.101 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(O)nc(S)nc3c2)cc1 746234818 UBBBLLPRLHVJQG-UHFFFAOYSA-N 434.521 4.126 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2ccncc2)cc1 746416270 WYGYNBZJMPUDSA-SFHVURJKSA-N 434.515 4.285 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c(F)c1 749009289 FBNRTUUFTZKOEO-UHFFFAOYSA-N 441.456 4.295 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(OC)ccc3Br)CC2)cc1 750310956 KNKOHWFMCMDMNE-UHFFFAOYSA-N 434.334 4.211 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 754750212 VSZXIYSPXYIEEA-HNNXBMFYSA-N 426.561 4.291 10 20 IICD C[C@H](NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)c1ccc(N2CCOCC2)cc1 758453912 PUIKOYYBTXWFAA-IBGZPJMESA-N 432.568 4.497 10 20 IICD C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)cc(F)c1O 760020897 ZLVPOWMHJUHZMZ-QAPCUYQASA-N 437.353 4.236 10 20 IICD CC[C@@H](c1nc(C(F)(F)F)cs1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761782796 QSRFXIOHAYFGPW-NSHDSACASA-N 433.839 4.436 10 20 IICD C[C@H]1CN(Cc2ccc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 764767330 IJZIHXGXHNSMEO-QHAWAJNXSA-N 441.591 4.122 10 20 IICD COCCOc1ccc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 765126745 MQLYAABYBUGWJP-OTWHNJEPSA-N 446.563 4.324 10 20 IICD C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCc2nccn2C)cc1 765286546 MBTBFMLOPCUHPT-HXUWFJFHSA-N 434.584 4.059 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NCc1cccc(Br)c1O)CC3 765535199 IVSJCCRKOWAPSQ-CQSZACIVSA-N 428.330 4.301 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])c1Br 765547633 CEXNYFDGRDNGFN-LBPRGKRZSA-N 437.250 4.319 10 20 IICD O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2cccc(Br)c2O)CC1 768862323 AAVPXDPRQSNCIN-UHFFFAOYSA-N 439.737 4.364 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCc2ccccc21 769654154 LLUITYPUQURDBV-SFHVURJKSA-N 428.535 4.014 10 20 IICD C[C@@H](NC(=O)c1cc(Br)c(O)c(Br)c1)c1ccc(N(C)C)cc1 775409310 DSGSHVFJTBXUJF-SNVBAGLBSA-N 442.151 4.474 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 775433294 YODRZUAJCGIPOJ-GOSISDBHSA-N 444.601 4.118 10 20 IICD Cc1cc(C(=O)Cn2cnc3cnccc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 780809188 CQLLPYOJOPBIBL-UHFFFAOYSA-N 426.398 4.101 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)OC)cc1 781443137 KPBGDHQBLYXYFY-UHFFFAOYSA-N 439.556 4.040 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 781465944 GXGVCJOYOMQOJL-IAGOWNOFSA-N 437.519 4.255 10 20 IICD O=C(Nc1cccc(Br)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 786145466 JVIBEEMSALEOBT-GFCCVEGCSA-N 441.276 4.236 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)cc1 787345600 JXHFDXYIIFBKTM-RUZDIDTESA-N 443.547 4.164 10 20 IICD C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CN(C(=O)OC(C)(C)C)C1 788611605 KOEMUZMLQGDXAV-WBVHZDCISA-N 425.520 4.102 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)O[C@@H]1CCc2cccnc21 789677874 RYAWUFPZRKTGLU-WMJYUBJYSA-N 430.576 4.355 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)cc1 789724229 BURWVPKUHSWTCR-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CN(C)S(=O)(=O)c1ccccc1NNC(=S)Nc1ccccc1Oc1ccccc1 793327724 UWFCGGWAPIOQLK-UHFFFAOYSA-N 442.566 4.043 10 20 IICD C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1ccc(N2CCOCC2)cc1 795593050 SMWYTNIRAPYSNZ-HNNXBMFYSA-N 447.348 4.334 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 797626173 FGBLDEHFOFWZRK-HNNXBMFYSA-N 441.528 4.144 10 20 IICD C[C@@H](SCC(=O)Nc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 799900005 JGCLCHRKZMNMOH-OAHLLOKOSA-N 444.512 4.161 10 20 IICD CCO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 799993087 CCQIWYAYPIJKII-CVEARBPZSA-N 449.983 4.398 10 20 IICD Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800636902 QKBQHKNXDSERDV-CYBMUJFWSA-N 435.355 4.188 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 801624901 NTEGZRNFWGIYCZ-UHFFFAOYSA-N 427.526 4.422 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 805127733 CNRARJSPDQZFGU-ZDUSSCGKSA-N 446.281 4.379 10 20 IICD CN(Cc1ccccc1N(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 812067933 UHHBTTWVYJCTFZ-GOSISDBHSA-N 432.515 4.164 10 20 IICD C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Br)cc1OCCCO 812783679 AXOUIAOHOWMNQR-CQSZACIVSA-N 425.342 4.266 10 20 IICD CN(C)c1ccc([C@@H](CN[C@H](c2nc[nH]n2)C2CCCCC2)NC(=O)OC(C)(C)C)cc1 813863293 BMYWMQJGJVWHSG-RTWAWAEBSA-N 442.608 4.348 10 20 IICD Cc1cnc2c(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cccc2c1 861550219 ZMFNAVWHHMWDNG-UHFFFAOYSA-N 426.479 4.376 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc(Cl)c4F)n3)ccc2N1 915291035 OUXFWXRGNYRJMB-UHFFFAOYSA-N 437.905 4.288 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CCCc4ccccc43)cc2F)C[C@@H](C)O1 916986557 JGLQECWDAMEROC-KHCICDEESA-N 439.575 4.065 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)s3)cc2F)C[C@@H](C)O1 917715941 ZTSUOPFGDNNOQL-IYBDPMFKSA-N 425.529 4.493 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCn2cnc3ccccc32)cc1 919654867 MQLXWGOHKJLKJU-UHFFFAOYSA-N 431.540 4.497 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1317922595 HEKWVDRQGBOOEO-UHFFFAOYSA-N 433.430 4.175 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c1 1328772274 RYECHHOEWQEOKO-UHFFFAOYSA-N 433.899 4.284 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cc2ccoc2s1 1800714775 CFTLTDFCRISJJK-BTTYYORXSA-N 446.912 4.125 10 20 IICD CC/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1823097283 POLWFLGSDNBWDJ-JCSUNJAGSA-N 432.908 4.137 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CCC(F)(F)F)C3)cc1 1845398401 JEUCSLRWIYITJP-UHFFFAOYSA-N 433.474 4.254 10 20 IICD CN(CCOc1cccc(CNCc2ccc(N3CCCCC3)cc2)c1)C1CCOCC1 237206007 KXBQIJDCFZZPCC-UHFFFAOYSA-N 437.628 4.456 10 20 IICD Cc1c(CNC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)n(C)c2ccccc12 576542844 UGZJMZWCBUGVCE-UHFFFAOYSA-N 443.469 4.313 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(Cc4cc(C)ccc4OC)CC3)ccc21 590659411 PBEKMOQNJZHCMX-UHFFFAOYSA-N 449.595 4.180 10 20 IICD CCOCc1cccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 726603927 BYSYWJBOWNTWMQ-INIZCTEOSA-N 428.488 4.438 10 20 IICD Cc1cc(C(=O)N2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccccc1Br 729446378 TYBNCUXPMUQGCZ-UHFFFAOYSA-N 444.373 4.084 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nccn1C 731048685 PEPXJBLKKOKUMD-XMMPIXPASA-N 447.583 4.254 10 20 IICD CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731121283 PTGXWIIJHAXARX-IRLDBZIGSA-N 428.621 4.149 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)NCc1ccccc1OC1CCCC1 732203576 XCMNXPRIUBYMDO-HSZRJFAPSA-N 438.568 4.011 10 20 IICD Cc1cc(C(=O)NCc2cc3c(nc2O)CCC3)c(C)n1-c1ccccc1Br 733179718 JAYFUGSEQKOOPR-UHFFFAOYSA-N 440.341 4.376 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCO[C@@H]1CCCc2ccccc21 733850635 WWPKDMAAEWKKIL-RUZDIDTESA-N 437.584 4.149 10 20 IICD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCCSc2nccs2)cc1 733971691 BGYMWRYOEAYHQE-IAGOWNOFSA-N 447.626 4.224 10 20 IICD COc1cccc(N2C(=O)/C(=C/c3cc4c(cc3OC(F)F)OCO4)SC2=S)c1 743280085 NIFIVRHZJDWVFH-SOFYXZRVSA-N 437.445 4.431 10 20 IICD COc1cccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1O 743331722 BYGSZKFAIFREIM-RDGATRHJSA-N 444.531 4.197 10 20 IICD CCN(CC)C(=O)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 743484559 GWPYHHGOTWLOHT-KNQAVFIVSA-N 431.527 4.456 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1csc(-c2cccnc2)n1 743808207 OFVGQQDQRFQEOO-UHFFFAOYSA-N 432.343 4.264 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(COC2CCCCC2)c1 743956413 TZPBMAMFHBNUSC-UHFFFAOYSA-N 436.552 4.375 10 20 IICD C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1C(F)(F)F 745221958 JHHUHWUUUVFRFO-MRXNPFEDSA-N 436.474 4.467 10 20 IICD COc1ccc(C[C@H](NC(=O)NCc2cccc(OC)c2O)c2ccccc2)cc1OC 745798610 ACGSOVYIRCHUAK-FQEVSTJZSA-N 436.508 4.201 10 20 IICD Cn1cc(C[C@@H]2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)cn1 746815401 JEBDCJWTODRBKG-MBSDFSHPSA-N 442.523 4.032 10 20 IICD O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1c(-c2ccccn2)nc2ccccn12 751302154 JMTHRKCTXCKJNR-UHFFFAOYSA-N 437.843 4.366 10 20 IICD Cc1cc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br 751312211 WELZDFPHJXJQJN-UHFFFAOYSA-N 431.374 4.185 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1O 752728338 ZIESMKXHNQDLOZ-UHFFFAOYSA-N 445.928 4.367 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 753373713 RADBRSWFULDMHO-RUZDIDTESA-N 444.620 4.464 10 20 IICD Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccccc1F 754545126 HPZKOZOUPIEMFZ-UHFFFAOYSA-N 425.419 4.348 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1-c1ccccc1 755079620 GDDUDJGYUQMRHC-UHFFFAOYSA-N 446.510 4.094 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3cc(Br)ccc3O)cc2F)CC1 756553221 KCLKFHVWJWNPNN-OAHLLOKOSA-N 436.369 4.287 10 20 IICD C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cc(Cl)c1O 756765752 QXAXXCSJBZGZKP-RZAIGCCYSA-N 431.802 4.227 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2O)cc1-n1nnnc1C1CC1 757612254 JEHVFAPSEWAGDC-JTQLQIEISA-N 448.296 4.329 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccccc2CN2CCNC2=O)cc1)C1CCCCC1 757919527 KPFRXVVZEBHPGI-UHFFFAOYSA-N 435.572 4.302 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 760304369 JUDHLNQKJSNFEC-UHFFFAOYSA-N 448.547 4.151 10 20 IICD C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 765011703 KDUIXGPMBBNVTJ-JPYJTQIMSA-N 427.976 4.191 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 765231285 XMLMAAJLXYZIOE-FQBFJXBRSA-N 441.547 4.159 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc(NC(=O)c2ccoc2)c1 765275233 GJHVVAMNIBSUBD-UHFFFAOYSA-N 430.258 4.322 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)cc1 768008223 KLPUNMGBFMHPMI-UHFFFAOYSA-N 447.539 4.267 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 769010196 VKHGMYPNHBQMKT-UHFFFAOYSA-N 425.920 4.026 10 20 IICD C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(N(C)C)cc1 773994567 OAEOULDZDJQZHG-GOSISDBHSA-N 437.565 4.069 10 20 IICD Cc1ccc([C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C2CC2)cc1 774393615 YJWVGBCMWZXWMJ-VWLOTQADSA-N 431.559 4.492 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1O 774938785 MXTOGRYHOGRCAZ-UHFFFAOYSA-N 442.493 4.036 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccc(Cl)cc1 778391978 HIHVWJRDXRGKAH-HXUWFJFHSA-N 425.916 4.361 10 20 IICD CC(C)(C)C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 788236369 USBKZMRKRQLFBQ-FGZHOGPDSA-N 438.568 4.194 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)cc1 790903003 TVFVNLMUJYOQSD-UHFFFAOYSA-N 441.538 4.365 10 20 IICD COC(=O)c1ccc(CNCc2ccc(N3CCSCC3)cc2)c(Br)c1 793583739 HCRQRAAMLBWZNJ-UHFFFAOYSA-N 435.387 4.079 10 20 IICD COc1ccc(CNC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c(O)c1 794377435 OAVQGPWFWTTZND-UHFFFAOYSA-N 445.313 4.376 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c(O)c1 797389045 MTRPJUOPGKENJN-UHFFFAOYSA-N 442.924 4.460 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(O)(C(F)(F)F)CC3)cc2Cl)C1 800719115 GZSNSWKJXOKROI-CQSZACIVSA-N 433.902 4.175 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 806277905 IRQZOFSKVYZBPJ-INIZCTEOSA-N 449.648 4.039 10 20 IICD CC[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cn1 808946653 FKQMXIWCSPLTRI-SFHVURJKSA-N 434.379 4.212 10 20 IICD CS(=O)(=O)Cc1nc(CNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)cs1 809194631 FIGHREKTYIPDTE-UHFFFAOYSA-N 438.933 4.323 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 809196717 YBEJLBUUZPCJHU-GMAHTHKFSA-N 437.559 4.227 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(C2CC2)nn(-c2ccccc2)c1=S 813043409 KQJIWROCABMKAR-UHFFFAOYSA-N 435.597 4.207 10 20 IICD Cc1cc(Br)c(O)c(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 815155987 QENGMEMZFMVKGV-LIRRHRJNSA-N 435.337 4.444 10 20 IICD O=S(=O)(Nc1ccc(F)cc1)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1 816556663 QTTGQJHRORMTER-UHFFFAOYSA-N 438.883 4.414 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H](c2ccccc2)C1 817105642 ATMFPQBNALSEBY-QGZVFWFLSA-N 442.562 4.274 10 20 IICD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 917697742 MPOSSVDWPGWLCE-UHFFFAOYSA-N 435.549 4.364 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccn2)c1 919792124 OWUKHGNZOODPDU-FQEVSTJZSA-N 446.551 4.058 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccc(OC(C)(C)C)cc3)CC2)cc1 1253455483 AHWKCEYQGIPGLM-UHFFFAOYSA-N 425.573 4.383 10 20 IICD O=C(COC(=O)CCCc1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 11319238 SSCUUNQNGPRQAL-UHFFFAOYSA-N 433.485 4.028 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 195683672 NERRLCRSRYLBLR-UHFFFAOYSA-N 446.498 4.374 10 20 IICD Cc1ccc(-n2ncc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2C)cc1 726565378 FNRCWAZVZBSUNJ-UHFFFAOYSA-N 440.494 4.489 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cc(OC)c(OC)cc3C)CC2)cc1 726610398 FFSIVTGJTJLBGG-KRWDZBQOSA-N 427.545 4.050 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3csc(Br)c3)SC2=S)cc1 726627056 JOZSJPGBZCYHAJ-VZUCSPMQSA-N 425.354 4.015 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)cc1 729359461 FZMHMRZJGASYOR-UHFFFAOYSA-N 443.547 4.371 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 729536373 ZZEDLZRGCVIRLY-AOMKIAJQSA-N 449.507 4.170 10 20 IICD CN(C)c1ccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 730959833 YNMOJJNJCDPGCG-UHFFFAOYSA-N 440.281 4.205 10 20 IICD Cc1nnnn1-c1ccc(F)c(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 730970184 SGMDHKULFFFSGH-UHFFFAOYSA-N 438.894 4.352 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 733801408 ZRRLACXXMSJLBJ-UHFFFAOYSA-N 432.927 4.105 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1ccc2c(c1)CCCN2C 737038635 XUNKFZBCQRETHV-UHFFFAOYSA-N 437.544 4.191 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)c1O 737285213 AAEVZJLSGOZOJB-UHFFFAOYSA-N 436.533 4.089 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cccc1S(=O)(=O)NC(C)(C)C 740731192 IMJOXWUWSGZWDH-UHFFFAOYSA-N 440.569 4.127 10 20 IICD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NCc1ccc(N2CCCCC2)cc1 742830082 DUYBICARCILMRR-UHFFFAOYSA-N 436.581 4.125 10 20 IICD O=C(Nc1cccc2ccccc12)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743974600 AYXUBFRLCCPSSD-KRWDZBQOSA-N 439.462 4.165 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)ccc21 747848011 KQKOQNXVIOUASY-UHFFFAOYSA-N 439.562 4.009 10 20 IICD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751101389 FBLUQMOZAHCTMQ-FPOVZHCZSA-N 429.948 4.015 10 20 IICD Cc1nc(-c2ccccc2)sc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 752920272 UGEZOTZKKDGVNV-IBGZPJMESA-N 449.580 4.142 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1cc(Br)cc(Cl)c1O 756392450 LBFFLGNCDLDEBV-LLVKDONJSA-N 427.726 4.357 10 20 IICD CC[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(Br)ccc1O 761500265 USTFRNRRONVZNV-UYAOXDASSA-N 447.373 4.304 10 20 IICD C[C@@H]1CN(c2ccccc2NC(=O)NCc2cccc(Br)c2O)C[C@@H](C)O1 765254797 ZFIGHFGILVPSLH-ZIAGYGMSSA-N 434.334 4.090 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OCC(=O)N(C)C 765384409 XIMRKDYRSUGZGM-HXUWFJFHSA-N 439.600 4.393 10 20 IICD Fc1cc(CNc2cc(Br)cnc2Br)ccc1N1CCOCC1 765943486 AKYXUUAZWKCOKS-UHFFFAOYSA-N 445.130 4.194 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc21 767670003 CMKRGQJSVIZQCS-UHFFFAOYSA-N 435.914 4.192 10 20 IICD Cc1cc(C(=O)CN2CCOC3(CCOCC3)C2)c(C)n1-c1cccc(C(F)(F)F)c1 767905954 OAVSQUBQLWDIDD-UHFFFAOYSA-N 436.474 4.177 10 20 IICD COc1ccc(CCN(Cc2ccsc2)Cc2cc3c(cc2O)OC[C@H]3O)cc1OC 768464781 VJJGLLPOMJFOFB-OAQYLSRUSA-N 441.549 4.142 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2C)no1 768913051 UXOATQJAZXDFLR-LJQANCHMSA-N 442.947 4.144 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(I)ccc2C)c1 775862696 KQEAGLQKDZIHHS-NSHDSACASA-N 426.254 4.197 10 20 IICD C[C@H](NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(N(C)C)cc1 776166621 KHBRKAPOCGFYGV-AXHZCLLHSA-N 425.573 4.438 10 20 IICD Cc1cc(N(C)C)ccc1CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 779066972 ZOBZRKUBKKZTNI-XMMPIXPASA-N 426.557 4.483 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 779376492 OFLSGHNBOWDUQD-MJGOQNOKSA-N 447.938 4.154 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 779525872 NIKFIFRLRAKTAD-AGKZXYDUSA-N 437.879 4.441 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)cc1F 784701942 CJAZVCCCMGPUMJ-UHFFFAOYSA-N 426.517 4.050 10 20 IICD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 787062672 DFMQDNJAAVNMMA-VGOFRKELSA-N 431.964 4.267 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1 789610614 PINHSJQXFCGKTP-UHFFFAOYSA-N 440.594 4.017 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 789836906 XCOFMSXVSVIIDM-AWEZNQCLSA-N 427.888 4.478 10 20 IICD COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c(O)c1 794381425 NLANQZXXOAIKPL-AUSIDOKSSA-N 436.533 4.181 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(N(C)c3ccccc3)nc2)SC1=S 797785034 RNGBBKIRYJDOGN-GHRIWEEISA-N 427.551 4.004 10 20 IICD C[C@@H]1CCCN(c2ccc(CNCc3ccccc3OCC(=O)N(C)C)cc2Cl)C1 800277295 VCAIJFBNTXRIIN-GOSISDBHSA-N 429.992 4.333 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 803841824 GOAGSNUGOAZSDX-FQEVSTJZSA-N 446.016 4.496 10 20 IICD O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 811971170 BWPOIQHFNQJBLO-SFHVURJKSA-N 446.389 4.256 10 20 IICD Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 812992493 IAPALMDEHNCSLF-CYBMUJFWSA-N 435.355 4.188 10 20 IICD Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc(OC(F)F)cc1 849481147 JEYFTEZAHLTKBD-UHFFFAOYSA-N 427.451 4.014 10 20 IICD C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1=O 914455163 MVPHGKNHEWVMPI-LJQANCHMSA-N 447.535 4.079 10 20 IICD O=C(NCCNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915738694 YZNOSUQBLJUHTC-UHFFFAOYSA-N 432.440 4.177 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1C 916102717 IHIONUINTMAIBV-UHFFFAOYSA-N 448.482 4.353 10 20 IICD COCCOCCNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916628164 BTHMMRCXZJBHEX-LJQANCHMSA-N 439.478 4.144 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 917844699 BSTQKNWEEMZKGN-UHFFFAOYSA-N 440.846 4.081 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 919708993 LZXKMMLEGBYTGJ-HSZRJFAPSA-N 435.499 4.067 10 20 IICD COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(F)F 920868677 JMONSVRKLLLKBW-INIZCTEOSA-N 449.498 4.036 10 20 IICD C[C@@H](NC(=O)CCCOc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 920882563 YJVNEVIQIXAHKG-QGZVFWFLSA-N 447.373 4.322 10 20 IICD CCC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CCO3)C2)CCC1 1778337377 YJJAYBMSLLFCAS-HHHXNRCGSA-N 449.595 4.118 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 1827469505 HJNLFGZCGZIZFD-GOSISDBHSA-N 434.565 4.186 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)ccc21 461625476 HLQZDXNOVMSLJB-DJJJIMSYSA-N 446.594 4.003 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)cc1Br 511071164 AFSZUMYBCGHLQW-UHFFFAOYSA-N 440.135 4.317 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 726567635 RKUXYPPHTNGSAJ-UHFFFAOYSA-N 430.411 4.076 10 20 IICD CCOC(=O)c1c(NC(=O)COc2cc(C)c(C)nn2)sc(C)c1-c1ccccc1 730443186 STBQTOGNGWLGAX-UHFFFAOYSA-N 425.510 4.325 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)cc1 730480369 BVWTXGHWWFIHCU-UHFFFAOYSA-N 446.429 4.117 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1F 731363579 FXTJLVLRUKLDPR-UHFFFAOYSA-N 428.552 4.149 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1F 740915022 KXEDTJYASIZKCY-LPHOPBHVSA-N 436.572 4.117 10 20 IICD CS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 741070713 NGJVGXHUOSKEIM-UHFFFAOYSA-N 449.916 4.244 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 741071248 YSQZBMDKXFIDHO-UHFFFAOYSA-N 438.981 4.222 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc3c(F)cccc3[nH]2)NC(=O)OC(C)(C)C)cc1 742752291 FUNIJGFYLPQCJO-NRFANRHFSA-N 440.519 4.369 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 743176691 DKVBTZQWEQAIOK-UHFFFAOYSA-N 430.574 4.101 10 20 IICD CCOC(=O)Cc1cccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1 743178224 DSVKYCWGDCAHLV-UHFFFAOYSA-N 435.318 4.314 10 20 IICD CCN(Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1cc(Br)ccc1O 743870996 LHBXZOFQHGMJHM-UHFFFAOYSA-N 434.302 4.173 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3ccccc3CN3CCC(O)CC3)c2C)c1 748369002 KROYRKUIORWGRH-UHFFFAOYSA-N 431.580 4.289 10 20 IICD CN(C)c1ccc(CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)C2CC2)cc1 751077318 MXUGOWOQAYBPNR-UHFFFAOYSA-N 435.549 4.339 10 20 IICD C[C@H]1CN(Cc2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)C[C@@H](C)O1 751301802 HBNSVGAZQJZNLU-KDURUIRLSA-N 441.535 4.258 10 20 IICD O=C(Nc1cccc2ccsc12)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752399914 KTYNZNJYVZZYHF-HNNXBMFYSA-N 445.491 4.226 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3c(F)cccc3Br)cc2)CC1 752724943 MPWQUFUICNWZGF-UHFFFAOYSA-N 448.336 4.079 10 20 IICD C[C@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nccs1 754737904 ONYPOZJGOKSVOK-HLVNSREUSA-N 437.637 4.106 10 20 IICD COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc(Br)ccc2O)c2nccn2C)c1 756393217 QXGYBQMSFPLFIR-RNODOKPDSA-N 446.345 4.346 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 763992817 OHICXOJGPXDKLZ-UHFFFAOYSA-N 430.936 4.441 10 20 IICD O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767673321 YBJFFKKDHQWOCA-GFCCVEGCSA-N 440.543 4.227 10 20 IICD C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccc(N2CCOCC2)cc1 769061140 DQWNVKOZNXTDSC-LQGLAIQGSA-N 445.567 4.009 10 20 IICD CCN(Cc1cc(Br)ccc1O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 769541944 XFDAZXAUMUHKMV-UHFFFAOYSA-N 425.279 4.102 10 20 IICD COc1ccccc1-c1csc([C@H]2CCCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 773341897 AFLFGMKJCIHDON-BTYIYWSLSA-N 438.549 4.330 10 20 IICD C[C@H](NCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775257713 MBUGZVMOQWVMME-QFIPXVFZSA-N 429.564 4.407 10 20 IICD CCOC(=O)c1ccc(Br)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 775291474 IIPBWZVINMXRTN-UHFFFAOYSA-N 442.331 4.057 10 20 IICD COc1ccc(N2CCC(Nc3cccc(C(=O)N4CCCC[C@H]4CCO)c3)CC2)cc1 777631076 WURRHGCYOZEGQN-DEOSSOPVSA-N 437.584 4.153 10 20 IICD C[C@@H](C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)n1nnc(-c2ccccc2)n1 777826626 OVRCDJPQRCHFTH-MOPGFXCFSA-N 427.508 4.397 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1cc(F)ccc1Br 785085647 QLNIYFXOOARYAK-UHFFFAOYSA-N 435.337 4.016 10 20 IICD CCc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1C(CC)CC 792211102 YRSUSWHGTCHZQG-UHFFFAOYSA-N 425.577 4.002 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)NCCCCC(F)(F)F)C2)cc1 794983810 RICFAEYAZXPEQZ-CYBMUJFWSA-N 425.467 4.454 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 795858955 ZXODHBFKDZFSGB-RTWAWAEBSA-N 436.474 4.013 10 20 IICD CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636295 IQXFDAZOAYUJOW-INIZCTEOSA-N 429.948 4.230 10 20 IICD Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2C)c1C 800728530 SQJLWRJJFQGLRV-FQEVSTJZSA-N 435.572 4.045 10 20 IICD Cc1cc(-c2nnc(N3CCN([C@H](C)c4nccs4)CC3)n2C)c(C)n1-c1ccccc1 800766746 SZWDAGLUVWFHSU-LJQANCHMSA-N 447.612 4.229 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807094111 RWHVENJGLAOIOY-HSZRJFAPSA-N 445.588 4.149 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)NCc1cc(Cl)cc(Cl)c1O 813684764 WMVHREBKIWZFPN-UHFFFAOYSA-N 437.352 4.251 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 916483527 PDKQFAONOXXHLZ-KRWDZBQOSA-N 429.586 4.126 10 20 IICD O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 916677698 GDRQSSXSFUELOI-GOSISDBHSA-N 443.931 4.386 10 20 IICD C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)o1 918224184 MSPQHVUWIZRXLB-OXQOHEQNSA-N 427.520 4.253 10 20 IICD CNC(=O)COc1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c(C)c1 1116870875 IRNMTENZOSPVFP-UHFFFAOYSA-N 425.916 4.433 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccc(F)cc4F)C3=O)cc2F)CC1 1321783002 HGCYXRLSIHAJAD-YBFXNURJSA-N 449.523 4.262 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1 1323390158 NLXHACYJDNENSW-UHFFFAOYSA-N 436.943 4.177 10 20 IICD CN1CCN(c2ccc(CNc3ccc(Cc4nnc5n4CCCCC5)cc3)cc2F)CC1 1338037382 MXOHTXIDPMUGIL-UHFFFAOYSA-N 448.590 4.098 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCc3ccccc3C2)cc1 109419773 DPEMIYSLWGJFMD-UHFFFAOYSA-N 427.548 4.016 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(I)cc2)cs1)c1cccs1 302806965 DKSXKEPACYAEMU-UHFFFAOYSA-N 448.332 4.277 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1 573724830 QFAIEZMERNCVOA-UHFFFAOYSA-N 427.508 4.001 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)CC2)cc1 726562296 IBFSBHPWKNYANB-UHFFFAOYSA-N 444.457 4.299 10 20 IICD Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cccc1OCC(F)(F)F 727937606 HZBWWZFEWLWJNJ-UHFFFAOYSA-N 437.462 4.437 10 20 IICD COc1ccc(N2CCCN(Cn3c4c(sc3=O)C[C@H](C(C)(C)C)CC4)CC2)cc1 728043684 HVONMGLWEVOXOL-GOSISDBHSA-N 429.630 4.239 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccc(Br)cc2)C1 728596341 CPHGNBPMSSOIQZ-IBGZPJMESA-N 443.389 4.127 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cn2)n1 728836890 HOKYLOVJRLGGIH-UHFFFAOYSA-N 431.462 4.155 10 20 IICD Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCCC3)cc1 730965332 CVVOXRWRZHILLL-FQEVSTJZSA-N 444.579 4.387 10 20 IICD Cc1cc(-c2csc(NC(=O)CCCS(C)(=O)=O)n2)c(C)n1-c1ccc(F)cc1 731163893 DMCRPYPOCBZEDS-UHFFFAOYSA-N 435.546 4.120 10 20 IICD CC(=O)NC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CCCC1 731258612 XEVBWYJKSCVZPM-UHFFFAOYSA-N 434.895 4.061 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c(F)cc1F 732525809 QKQRPAJCOXJPGB-UHFFFAOYSA-N 444.868 4.329 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3OCC3CC3)cc2F)C[C@@H](C)O1 740072123 JLGFPTAQXYTBKD-QZTJIDSGSA-N 441.547 4.228 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1c(Cl)cccc1Cl 740908174 XMKHLSFINXSXFR-GOSISDBHSA-N 440.396 4.079 10 20 IICD COc1ccc(N2CCN(CCNC(=O)C[C@@H](C)c3ccccc3C(F)(F)F)CC2)cc1 741678857 ZHZKOOBCEJOMCC-GOSISDBHSA-N 449.517 4.146 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1C 741714891 RPLACTSYVHGVHT-UHFFFAOYSA-N 425.536 4.241 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 741795943 VEHKMEMFEIHCOF-UHFFFAOYSA-N 432.826 4.460 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC(F)F)OCO4)SC2=S)cc1 741853297 VGJVIYFRMLYCQK-FRKPEAEDSA-N 437.445 4.431 10 20 IICD COc1cc(OCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1[N+](=O)[O-] 742416265 SBPGBXSMRZBNPH-UHFFFAOYSA-N 427.501 4.068 10 20 IICD CN(CCc1cccs1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 742848561 JLQKPJYMKQKHCM-DTQAZKPQSA-N 436.649 4.492 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1 743283037 UPWVWJZIPCTQOB-WRDGEJPTSA-N 427.547 4.437 10 20 IICD CN(C)C(=O)c1cccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 745846378 FFCJALFEZXUHHB-UHFFFAOYSA-N 448.567 4.002 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)cc1 750662361 KZYIXBIXTZRRKZ-JOCHJYFZSA-N 430.552 4.044 10 20 IICD O=C(Nc1ccc2ccccc2n1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751059169 WCEFVXORNZTOJD-UHFFFAOYSA-N 425.491 4.055 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 756619828 ZVPHPPHRMHTKGQ-HJPURHCSSA-N 439.533 4.023 10 20 IICD C[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)cc(F)c1O 756635762 TUUDYCIPRGRTLJ-CQSZACIVSA-N 437.353 4.101 10 20 IICD Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1OCCCC(=O)O 758164218 VUYJZUVHLHBUHY-UHFFFAOYSA-N 434.297 4.052 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)cc(OC)c1OC 759238956 FCURLTDZNDCHBO-UHFFFAOYSA-N 444.959 4.136 10 20 IICD Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 765288150 URUHRQSNHVICFV-HNNXBMFYSA-N 426.561 4.465 10 20 IICD CN(C(=O)c1cccc(C(=O)NCc2cccc(Br)c2O)c1)c1ccccc1 765751790 SOEMPSDDMRTKOO-UHFFFAOYSA-N 439.309 4.361 10 20 IICD Cc1cc(C(=O)NCCc2cn3c(n2)SCC3)c(C)n1-c1ccccc1Br 768648226 WTVZKVYSICZTIB-UHFFFAOYSA-N 445.386 4.131 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(F)cc1Br 768912971 UBZUXNWAVXUGSM-OAHLLOKOSA-N 441.728 4.342 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 770302744 YLINUWZCCCSQEG-GOEBONIOSA-N 449.382 4.256 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@@H]1c1ccc(F)cc1F 770347282 GJPJKTYZVBBYJC-OAQYLSRUSA-N 433.474 4.377 10 20 IICD CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 770884156 VJZJLJHBZUBKCL-UHFFFAOYSA-N 442.563 4.262 10 20 IICD Cc1cccn2cc(CNCc3cc(Br)cc(Br)c3O)nc12 777482826 BESNDHVFLHXTNB-UHFFFAOYSA-N 425.124 4.163 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1O 779048704 ZQSLWZDGPOFUHM-UONOGXRCSA-N 444.333 4.427 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)nn1-c1ccccc1 783486239 NQBAEULHPRHRNW-LJQANCHMSA-N 439.519 4.496 10 20 IICD COc1ccc(Oc2ccc(CNCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)cc1 784517668 RZOQCXHHHSRUDO-JOCHJYFZSA-N 445.563 4.479 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 797622017 PLPDATYDAGMBPX-CQSZACIVSA-N 427.501 4.148 10 20 IICD CNC(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(C)c1 797678953 CDOKIRYGYSLJHZ-UHFFFAOYSA-N 438.572 4.210 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(O[C@@H]4CCOC4)CC3)cc2Cl)C1 799995162 YXAPUFVFBSXGKO-YLJYHZDGSA-N 435.996 4.056 10 20 IICD COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 808968647 UUIDBVCWEZHWFD-HSZRJFAPSA-N 437.584 4.156 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 809196772 XFTKPYOXYCOEOE-RBBKRZOGSA-N 425.548 4.081 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCO1 812438964 JFSSCUDKPDSLRH-FQEVSTJZSA-N 429.524 4.404 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](CO)(Cc4ccc(F)cc4)C3)c2C)cc1 813894216 UIAOWWYSSQGBTI-SANMLTNESA-N 436.527 4.309 10 20 IICD CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 915902219 UYJROIOZXHRWLA-GOTSBHOMSA-N 425.573 4.166 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccc(N2CCSCC2)cc1 916218453 PFYXVCWCPNOHRL-UHFFFAOYSA-N 449.624 4.101 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 918673306 PODQLNPJPLZINI-JOCHJYFZSA-N 444.579 4.034 10 20 IICD O=C(NCc1ccc(COc2ccccc2)cc1)NCc1ccc(N2CCOCC2)cc1 919790604 MSFAEGJCILSWQU-UHFFFAOYSA-N 431.536 4.102 10 20 IICD COc1cc(-c2ccccc2)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971490 OQMZQLZRDKCBIV-UHFFFAOYSA-N 440.540 4.454 10 20 IICD C[C@H](NCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(N2CCOCC2)cc1 920867560 UUSOKHYQSJHWNZ-AWEZNQCLSA-N 432.446 4.042 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc4nc(C)oc4c3)n2)c1 1320650367 JMWPHYZZRYYADD-UHFFFAOYSA-N 431.495 4.078 10 20 IICD Cc1nscc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800512899 ILNXGUOARBJOPX-QQFNCUIESA-N 448.592 4.425 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 734074546 RSJDCUONDIEKJA-UHFFFAOYSA-N 426.856 4.101 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 734406241 SFTRXTXCFIFZRI-AREMUKBSSA-N 431.580 4.214 10 20 IICD CC(C)(NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1nccs1 734804583 SWSHPYNMDKXOSD-QBFSEMIESA-N 437.637 4.238 10 20 IICD CC(C)n1ncc2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc21 737116312 BDRRRSSGVBSOHB-UHFFFAOYSA-N 433.556 4.205 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCS[C@@H](C)[C@H]2c2ccccc2)c1 738256227 VTJYZNBPTHWCLF-CYFREDJKSA-N 440.609 4.106 10 20 IICD C[C@H](OC(=O)[C@@H](C)c1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 738829863 SLKOMZLXKUDMQQ-KBPBESRZSA-N 433.485 4.197 10 20 IICD CCOCc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743532204 LJNBEUVXSIPMMW-LJQANCHMSA-N 433.499 4.293 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](c1ccccc1)N1CCOC1=O 743808254 QDNPFYIVAIYGHV-SFHVURJKSA-N 447.329 4.087 10 20 IICD C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680509 HLAPNYCQPHNSCW-RKVPGOIHSA-N 439.528 4.130 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)cc1F 753114499 HZWLDOGBOWNLHD-UHFFFAOYSA-N 427.701 4.213 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)c(Cl)c2)SC1=S 754833948 PZKDFWNPXKJDFU-XYOKQWHBSA-N 434.764 4.257 10 20 IICD Cc1ncc2c(n1)CC[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)C2 756396541 OLEAVQPNEDVTOI-ZANVPECISA-N 441.167 4.224 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)ccc1Cl 757500330 LOEDQYLVYIFPLL-UHFFFAOYSA-N 438.914 4.060 10 20 IICD C[C@@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(Br)c(F)cc1O 757610073 ACBYRLIUJVJKOR-GFCCVEGCSA-N 436.325 4.169 10 20 IICD C[C@H](c1ccccc1)n1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 760079276 QWWOVKSWSZJIBD-LJQANCHMSA-N 433.556 4.023 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCc4c(F)ccc(Br)c43)cc2)C1 760325599 IMQDTHGLLPDNAL-FOIQADDNSA-N 446.364 4.067 10 20 IICD Cc1cc(C(=O)CN2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1 760932647 GJIUBHLKCRPPKC-UHFFFAOYSA-N 430.614 4.083 10 20 IICD C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O 761162763 WQHZLTBCZRUUNE-XOBRGWDASA-N 448.350 4.054 10 20 IICD CCc1ccc(-c2noc([C@H](C)NC(=O)NCc3cccc(Br)c3O)n2)cc1 764797948 PEMHJLFFHYLJQP-LBPRGKRZSA-N 445.317 4.328 10 20 IICD CC1(C)Cc2occc2[C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 765280314 JTRQCPMPHXNLHT-NRFANRHFSA-N 435.547 4.339 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c2ncccc12 766507331 UUVFRBFQFFFKHO-UHFFFAOYSA-N 441.509 4.372 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)c2)CC1 767935794 KGRVREQSRVTSKL-UHFFFAOYSA-N 443.551 4.117 10 20 IICD O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 769207958 GAFYYQKDLLEWIX-UHFFFAOYSA-N 446.954 4.056 10 20 IICD Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@H]3COCC[C@@H]32)cc1 769347775 ZMCMSFMPUBAFLU-FPOVZHCZSA-N 442.606 4.072 10 20 IICD Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 770724536 GAXIHANIYSCKRE-UHFFFAOYSA-N 448.336 4.092 10 20 IICD C[C@H](NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccc(N2CCOCC2)cc1 772359358 MDSCECOKWOBBGY-KRWDZBQOSA-N 438.959 4.418 10 20 IICD CC[C@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccc(N(C)C)cc1 772962223 FMXSXOPCIPHTCP-QHCPKHFHSA-N 439.600 4.176 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1Cl 772977264 BMULHYUKTJVJBE-FOIQADDNSA-N 434.367 4.286 10 20 IICD CCOCc1cc(CNCc2cnn(-c3ccc(Br)cc3)c2)ccc1OC 775028139 BXEBLXNGFQJWAL-UHFFFAOYSA-N 430.346 4.470 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 780676299 FKURUWGRTUNCLE-HXUWFJFHSA-N 432.609 4.464 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)cc1 782187609 DQMBHMHUEVBAAJ-XDHOZWIPSA-N 443.546 4.431 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(N3CCCC3)c2)cc1 782429262 XKKMWUOUKHHVSF-UHFFFAOYSA-N 446.551 4.113 10 20 IICD O=[N+]([O-])c1ccn(C2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)n1 782859769 JXJZJVZKDYIRGK-UHFFFAOYSA-N 431.290 4.250 10 20 IICD Cc1oc2c(CN3CCC(OC[C@H]4CCOC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 783999237 MKXSDZJFHLWNDZ-IBGZPJMESA-N 449.547 4.492 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(N(C(C)=O)c3ccccc3F)n2)cc1 784563697 IVQSOBLYKLFBDD-UHFFFAOYSA-N 443.500 4.155 10 20 IICD Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1Cc1ccc(C(F)(F)F)cc1 787449126 IXJQAWUTHLOFOU-UHFFFAOYSA-N 444.457 4.168 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)c1 794859573 WZRWOHHKEJIADS-XDHOZWIPSA-N 438.509 4.376 10 20 IICD COc1ccc([C@@H](Cc2ccncc2)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 796703734 VJCOKPUTMVVGMQ-HHHXNRCGSA-N 431.580 4.373 10 20 IICD Cn1cc(Oc2ccccc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 800885575 HVQJZWMTSIHNAJ-UHFFFAOYSA-N 442.466 4.213 10 20 IICD Cc1cccc([C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(F)c2)c1 800971386 KVTKDOFPKTUWJM-VWLOTQADSA-N 438.568 4.248 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1)c1ccc(N(C)C)cc1 805308957 INXMLMCANVCQRI-OFNKIYASSA-N 436.600 4.127 10 20 IICD CCc1ccc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)cc1 806496077 OVEYBBCDPYANSC-ZEQRLZLVSA-N 448.611 4.040 10 20 IICD C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](c1ccccc1)N(C)C 806685043 NWOLPOKQXRUVQC-VGSWGCGISA-N 446.542 4.247 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807094254 UFILHUFNGNDIPT-PGRDOPGGSA-N 435.593 4.400 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(-c2ccccc2)cc1 807385287 HNEWUPLPMZHTSU-UHFFFAOYSA-N 425.282 4.077 10 20 IICD CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 808483026 CDIPFFCIPZUIOW-LGMDPLHJSA-N 444.443 4.335 10 20 IICD COc1ccc(-c2nsc(NC(=O)NCc3ccc(N4CCSCC4)cc3)n2)cc1 809928378 PRBCGDCBUSIQDR-UHFFFAOYSA-N 441.582 4.089 10 20 IICD COCC1(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 818020212 FXZCTDBUROXRBR-SSZFMOIBSA-N 438.640 4.053 10 20 IICD O=C1C[C@H](Oc2ccccc2NCc2ccc(N3CCCCC3)c(Br)c2)N1 864041283 RPVCYKLMRREPDN-NRFANRHFSA-N 430.346 4.276 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3C)n2)s1 914791063 HBYNPDFNYQYHME-UHFFFAOYSA-N 441.987 4.270 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 915317498 OIVJDHNCAHZSES-UHFFFAOYSA-N 437.512 4.337 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1 915748874 NKBSEGKKHNCWOU-UHFFFAOYSA-N 440.341 4.154 10 20 IICD Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)c(Br)c1 917387068 QQFYPJDCZLDQHM-MRXNPFEDSA-N 449.414 4.394 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2F)C[C@H](C)O1 917710692 DDUJARYGIJHQSK-KBPBESRZSA-N 427.432 4.024 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3cccc(F)c3)C3CC3)cc2F)C[C@H](C)O1 918220079 SQDRRNDBBLMVBK-IRXDYDNUSA-N 429.511 4.453 10 20 IICD CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 919776969 ANXWAUMQFNEWGN-DYESRHJHSA-N 425.529 4.134 10 20 IICD C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 919924759 VUQMGRPLPMNBOQ-HBMCJLEFSA-N 426.605 4.424 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1 1115820595 XQNMKVRTMSTJMG-UHFFFAOYSA-N 438.871 4.125 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCC(N)=O 1115821751 ZTPHRZSPWABCKW-ODLFYWEKSA-N 442.562 4.089 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2CCCCO2)cc1 1794020430 SODUMCWYUKSZLZ-RVFVQDDPSA-N 449.595 4.305 10 20 IICD O=C(CC1CCCC1)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1808938600 IGDMFNINWMJEEC-UHFFFAOYSA-N 434.964 4.176 10 20 IICD CO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157358 HGYIWSHOVLDQFP-PGRDOPGGSA-N 449.555 4.158 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3[nH]cc4c3CCC4)C2)cc1 1844647257 LTDINCNDEGXCTR-UHFFFAOYSA-N 442.563 4.042 10 20 IICD Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 10732653 UXWWSIMUCFUTRA-UHFFFAOYSA-N 433.847 4.219 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 24187680 KHRQMMZMNYTSAP-OAQYLSRUSA-N 425.548 4.183 10 20 IICD CC(C)CSCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 207050787 CFZMQAPBDOWGLO-RVDMUPIBSA-N 428.670 4.235 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 303134049 JAIZLMRGSVPMPC-UHFFFAOYSA-N 427.504 4.452 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1sccc1Br 324698901 OYSJTWFUHUSAJV-UHFFFAOYSA-N 429.405 4.322 10 20 IICD COc1cc(Cl)c(Br)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 428655313 LGTPLIOYHWZAMP-UHFFFAOYSA-N 425.710 4.216 10 20 IICD Cc1cc(-c2nc(-c3cccnc3N3CCCCC3)no2)ccc1NC(=O)C1=S=CC=C1 545622615 UQCIGPXHJKXMHI-UHFFFAOYSA-N 445.548 4.313 10 20 IICD O=C(CCc1nnc(-c2ccccc2)o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565191 FWTKJTYUNGASJT-UHFFFAOYSA-N 442.466 4.056 10 20 IICD C[C@H]1CCCN(CCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726610871 KSLIZEQQBTXCQB-SFHVURJKSA-N 438.563 4.068 10 20 IICD COc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 727224170 ISPLLJLBNZDTGQ-CQSZACIVSA-N 434.334 4.177 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2)cc1 732478067 VTYPFOBIAYXWKV-UHFFFAOYSA-N 435.499 4.034 10 20 IICD COCCN(C(C)=O)c1nc(CN(Cc2cccs2)c2ccc(OC)cc2)cs1 733794038 ALZSEGBQMHAYRT-UHFFFAOYSA-N 431.583 4.419 10 20 IICD C[C@H](NC(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccc(N2CCOCC2)cc1 733844637 REPOBJDOHAHUPH-KRWDZBQOSA-N 435.553 4.347 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 734407471 YFXWILFRBCWEBG-FQEVSTJZSA-N 434.367 4.289 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3ccc(OC(C)C)cc3)cc2)CC1 734862913 KGUSOZAONUYULC-XMMPIXPASA-N 425.573 4.243 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)c1 738256233 VTJYZNBPTHWCLF-YADARESESA-N 440.609 4.106 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(O)nc2cc(F)ccc12 739564646 QODRCXGRCGGAGD-UHFFFAOYSA-N 431.414 4.080 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 743809278 OXYGKSWVUWDQAL-HXUWFJFHSA-N 443.341 4.467 10 20 IICD CCSCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 743905820 MOWKPOUFAKXOQF-UHFFFAOYSA-N 425.598 4.431 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 745510291 FKOGZAFEOYKNKY-CALCHBBNSA-N 440.426 4.444 10 20 IICD C[C@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)c1cccc(F)c1 746200525 LOPDFOOUDAOWME-OAHLLOKOSA-N 434.458 4.421 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2cc(Cl)ccc2O)c1 756564443 UCDIUVCOVQYKIT-LBPRGKRZSA-N 441.753 4.287 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 756723818 MAFRNGKKJNUGOB-ZBSNKRKSSA-N 439.375 4.185 10 20 IICD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)c1 759591656 CTPJPNJSFRQHPV-VURMDHGXSA-N 438.505 4.109 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(CCOC(C)=O)c1 764698179 CMZNQJQMWATIQE-UHFFFAOYSA-N 435.318 4.314 10 20 IICD O=C(CCc1cc(F)ccc1Br)NCc1cccc(Br)c1O 765770407 QNECCDUMGUQUPZ-UHFFFAOYSA-N 431.099 4.305 10 20 IICD CC[C@@H](CSc1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765980844 TUOQXVNKTYBINX-IBGZPJMESA-N 439.046 4.235 10 20 IICD CC(C)(CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccncc1 769125275 MJQCIJAMTLLUJO-LGMDPLHJSA-N 445.635 4.219 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ncoc3-c3ccc(F)cc3)cc2F)C[C@H](C)O1 769865950 RJEJLQCTJNRZEL-GJZGRUSLSA-N 427.451 4.163 10 20 IICD O=C(CNc1cccc(-c2cccs2)c1)NCc1ccc(N2CCOCC2)c(F)c1 772908875 GEGTYXGZTQPVNP-UHFFFAOYSA-N 425.529 4.119 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccccc3COC(C)(C)C)cc2F)CC1 773330687 AGXZRMTVESZNRF-UHFFFAOYSA-N 427.564 4.213 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 773742618 XQRYRYLJQPLBEN-QWRGUYRKSA-N 428.710 4.028 10 20 IICD C[C@@H](NC(=O)CSc1nc2ccccc2nc1N1CCCC1)c1ccc(N(C)C)cc1 775412020 UFAVVKUQGNLVIU-QGZVFWFLSA-N 435.597 4.266 10 20 IICD CCOc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423980 UHCUULWBPKZBTD-UHFFFAOYSA-N 439.487 4.051 10 20 IICD O=C(Nc1csc(-c2ccccn2)n1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897465 XFTWWYZUYBXFRX-UHFFFAOYSA-N 436.537 4.211 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc(N)cc1 783487058 UBBKNLJZXFUNIG-AWEZNQCLSA-N 437.883 4.384 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 784025850 LIOPOOZOEQIXKB-UHFFFAOYSA-N 429.948 4.413 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)C2CCCCC2)cc1 784059521 LWQBFMHPPGKXIT-UHFFFAOYSA-N 431.496 4.156 10 20 IICD CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 789921669 POROYXUXENEELA-NRFANRHFSA-N 425.916 4.047 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 791250448 QUPTXGHBYDJCJA-MRXNPFEDSA-N 432.948 4.496 10 20 IICD CC(C)(C)OC(=O)NCCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 794274872 LOCOMTUYPUTOJW-IFMUVIIVSA-N 426.513 4.273 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)cc1 794859091 IJSANJYRXQWDPJ-UNOMPAQXSA-N 425.510 4.421 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 807837761 BTVZHKYLPFKIJM-UHFFFAOYSA-N 445.258 4.018 10 20 IICD CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C 809814941 HXOXLZRDXXEUNE-UHFFFAOYSA-N 448.596 4.094 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2cccc3ccccc23)n1C[C@@H]1CCOC1 812382659 QDVRMRXQFIJONS-IBGZPJMESA-N 428.536 4.401 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 813804220 UQGFIUCOOIJZFX-OAQYLSRUSA-N 444.620 4.464 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(CC(C)C)cc3)n2)o1 914791277 MNBHOVZBJJYIMN-UHFFFAOYSA-N 433.555 4.039 10 20 IICD CSCCCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCCO3)SC1=S 917641881 CLJRFIABMUEDFV-LCYFTJDESA-N 446.413 4.175 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918082093 YVEOFNABYUBUJC-KGVIQGDOSA-N 443.538 4.495 10 20 IICD O=C(CSc1nc2ccccc2[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1319889942 YAQHLIHNIVTVHD-UHFFFAOYSA-N 432.496 4.042 10 20 IICD C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 33752033 JZGLETIYUCELFL-UYRXBGFRSA-N 441.530 4.310 10 20 IICD CCc1nc(CN2CCN(C(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)CC2)no1 303482498 KOHKBDHMZWMUTO-UHFFFAOYSA-N 435.572 4.121 10 20 IICD Cc1cc(-c2nc(-c3ccc(Br)cn3)no2)ccc1NC(=O)C1=S=CC=C1 460837143 BAVXVOUDQDKPNN-UHFFFAOYSA-N 441.310 4.086 10 20 IICD Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(C(C)C)c(C)cc3O)C2)cc1 725784626 SMYVVPWFLKVFOA-FQEVSTJZSA-N 430.614 4.323 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1 730380510 BUPWCNRNPVRQJN-UHFFFAOYSA-N 440.569 4.392 10 20 IICD CCOc1c(OC)cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC 731115686 GECATENQNUGJQF-UHFFFAOYSA-N 441.572 4.338 10 20 IICD CCc1nc(CN2CCC(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cs1 732146920 HZAIFAMYCVLFJS-UHFFFAOYSA-N 437.613 4.150 10 20 IICD CCOc1cc(CNCc2ccc(N(C)C)cc2C)ccc1OCC(=O)N1CCCCC1 734509266 JVJHATSFYRBHON-UHFFFAOYSA-N 439.600 4.141 10 20 IICD COc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 738459200 HZDGWAFYRIBCKI-NSHGMRRFSA-N 441.547 4.147 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 741078062 SFXDFGSSQQLDLO-QFIPXVFZSA-N 442.966 4.492 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cnn(-c2ccccc2Cl)c1 741398291 IVAZLXYYJLVKMI-UHFFFAOYSA-N 439.947 4.056 10 20 IICD CC(C)(C)n1ncc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)c1=O 742423763 SKEDQFYTDSTCRD-CYBMUJFWSA-N 426.895 4.334 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c(F)c(F)c2)NC(=O)OC(C)(C)C)cc1 742753908 MOLQWRVYKOCDKE-SFHVURJKSA-N 437.462 4.166 10 20 IICD C[C@@H](NC(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1 743564586 OJKXMNHLQHDLHR-HXUWFJFHSA-N 429.605 4.355 10 20 IICD CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 745651651 BCCOKSRFCUGOSA-DEOSSOPVSA-N 427.564 4.101 10 20 IICD COCCN(Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(OC)c(OC)c1 746474205 DYYXEMLAQVNKPE-UHFFFAOYSA-N 428.510 4.209 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746598135 FOEJLHNNPIVMNO-UHFFFAOYSA-N 429.292 4.296 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(F)(F)F 750897181 XWYHCXLULUFCKE-NTEUORMPSA-N 449.472 4.092 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)ccc1F 753976830 BECZOZGXICUUEJ-UHFFFAOYSA-N 433.486 4.015 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1ccccc1)c1cccc(F)c1 755125927 FAJCNJGTIOAYNJ-XMMPIXPASA-N 437.490 4.390 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C)nc1Br 755971257 LXBWIEYDFYWLPT-UHFFFAOYSA-N 428.124 4.283 10 20 IICD Cc1cc(C(=O)N2CC[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1Br 756129650 ACJIHQBITIDVHI-INIZCTEOSA-N 427.346 4.220 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-n2ccnn2)cc1 756809003 HTDRYENGXMVNQR-QGZVFWFLSA-N 439.479 4.499 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc(OC)c1OC 759405204 KDLQRRWULVBPDZ-UHFFFAOYSA-N 430.501 4.029 10 20 IICD COc1cc(N2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc(OC)c1OC 759872450 KBLLSTINDMDGHU-OAHLLOKOSA-N 446.498 4.340 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc(-c2ccc(Br)cc2)no1 761794314 SJZMOQGKIQQPQY-GFCCVEGCSA-N 431.290 4.107 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 761983552 TZNLSVSIACLIDJ-MRXNPFEDSA-N 440.521 4.001 10 20 IICD COCc1ccc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)o1 764411622 MQUAYRZCXLUWSW-MOSHPQCFSA-N 428.579 4.292 10 20 IICD C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N2CCOCC2)c(F)c1 765123234 JVTAJCGIZMJDED-GOSISDBHSA-N 437.515 4.036 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)NCc3cccc(Br)c3O)ccc21 765326961 IOEMVPFYIKMNAU-UHFFFAOYSA-N 432.318 4.166 10 20 IICD Cc1cc(-c2nc(-c3c(Cl)nc4sccn34)no2)ccc1NC(=O)C1=S=CC=C1 771323718 FQPVFJUTBPVHOJ-UHFFFAOYSA-N 441.925 4.291 10 20 IICD COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2cccc3ccccc23)cs1 777665390 HIZPUTYOWXGLSP-UHFFFAOYSA-N 431.520 4.007 10 20 IICD Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c12 782956842 WBNHOSMYVOUXDU-UHFFFAOYSA-N 425.485 4.069 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2nc(C3CCC3)cs2)cc1 789389254 QNVUCTHMIINWRP-UHFFFAOYSA-N 438.553 4.237 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)CN3CCn4cnnc4[C@@H]3C)c2C)ccc1Br 792376838 YXFOWSJIXIHWRM-INIZCTEOSA-N 442.361 4.016 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)c2C)c1 794249540 NIJOOJNBJPJBLT-UHFFFAOYSA-N 427.451 4.398 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(CC)C[C@H]2C)sc(C)c1-c1ccccc1 796316669 NVPVUXNIBNLJFF-QGZVFWFLSA-N 443.613 4.255 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc(F)c2F)nc1-c1ccc2c(c1)CCC(=O)N2 799187175 NUEJVIDDNBZUFZ-UHFFFAOYSA-N 435.477 4.082 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 800914557 YNMZGVIEJMBVRS-IAGOWNOFSA-N 432.590 4.292 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(C(F)(F)F)cc1 807291649 LGUYSFBHMIQTGN-OAQYLSRUSA-N 445.485 4.211 10 20 IICD O=C(NCc1ccc(-c2cccnc2)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 807667800 FOOQELPHLJGNSC-UHFFFAOYSA-N 443.547 4.432 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H](C1CC1)C(F)(F)F 809315229 KNFUHCBSZFFCHX-BRADTZPFSA-N 434.530 4.187 10 20 IICD Cc1c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cnn1-c1ccc(Cl)cc1 811705565 VMFKHXLZYIJHOJ-UHFFFAOYSA-N 435.933 4.266 10 20 IICD C[C@H](Cc1cnc2ccccc2n1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 815258322 UTZAKPWUMIFABC-MRXNPFEDSA-N 440.494 4.195 10 20 IICD Cc1cc(CC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 819064062 ODRDOEHNUZMOCG-QFIPXVFZSA-N 427.976 4.053 10 20 IICD CC(C)c1cccc(NC(=N)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 849064376 TZIGALZJOJVZFD-UHFFFAOYSA-N 447.562 4.202 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C(C)(C)C)c(Cl)c3)cc2)CC1 857493752 BCSWZBMJQOQHJB-UHFFFAOYSA-N 427.976 4.236 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CCc1ccccc1)C1CC1)c2[N+](=O)[O-] 914488438 XHOOJBTVXQHOAY-UHFFFAOYSA-N 440.455 4.218 10 20 IICD COC(=O)c1c(NC(=O)[C@H]2COCCO2)sc(C)c1-c1ccc(Cl)cc1Cl 915148573 IMPNKRHTMZASHJ-CYBMUJFWSA-N 430.309 4.171 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(N2CCCC2)c1 917697891 SRIPIEKQINCMQF-UHFFFAOYSA-N 427.570 4.022 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1occc1CSc1ccccc1 917708276 COADGQHKQSLDOE-UHFFFAOYSA-N 426.513 4.478 10 20 IICD Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918286357 HFDVEVGBGBXVAC-QZTJIDSGSA-N 441.547 4.126 10 20 IICD C[C@H](c1ccc(Cl)cc1)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 920086888 PZWDJJKEZQGHQA-QGZVFWFLSA-N 445.966 4.158 10 20 IICD C[C@H](NC(=O)N(C)CCCOc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 920870901 IFAOXKVOHDUUTL-SFHVURJKSA-N 431.964 4.348 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c1 1116074107 MUBOGOWQLZWAET-UHFFFAOYSA-N 435.955 4.407 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(OCC)c(OCC)c(OCC)c3)CC2)cc1 1319603566 KHAVMCMFPGQAEE-UHFFFAOYSA-N 442.556 4.244 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3oc(COc4ccc(C=O)cc4)cc3C)CC2)cc1 1319625603 KPTZSFRNAIPIHK-UHFFFAOYSA-N 448.519 4.341 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnc4c(cnn4C)c3)sc2C)cc1 1320428461 BJLSUMSOAQBMAY-UHFFFAOYSA-N 427.555 4.154 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(O)(Cc3ccccc3F)CC2)ccc1N1CCCCC1 1320917292 VFRKPXONNBFHJO-UHFFFAOYSA-N 427.520 4.294 10 20 IICD Cc1oncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1787450418 GEVYHELYYILKML-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(CSc1ccccc1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788426867 YLFWEQITMVMWEY-UHFFFAOYSA-N 449.532 4.033 10 20 IICD CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10153870 UHPYLWCDFAJEDM-ZDUSSCGKSA-N 426.563 4.149 10 20 IICD COc1ccc(N2CCCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1 108089915 CSVQHWZWLBADRA-UHFFFAOYSA-N 432.446 4.476 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)n(C)c2ccccc12 472794429 ZIIJNIBJTOYASY-UHFFFAOYSA-N 434.721 4.158 10 20 IICD CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2ccc(F)cc21 608559245 RRUDOQNCYVLKRP-UHFFFAOYSA-N 427.483 4.229 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)SC2=S)cn1 726196768 AYHGAKLMIGGMKO-WOJGMQOQSA-N 443.554 4.207 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1OC(F)F 727176872 RBBWPDFGENGREV-DHDCSXOGSA-N 430.542 4.086 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)CCC4)sc2C)s1 727249468 XEHUBFOZCKJMJR-UHFFFAOYSA-N 447.607 4.106 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 728984754 TYZAXYVWVAIFDS-KURKYZTESA-N 440.540 4.060 10 20 IICD CN(C[C@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1)C(=O)OC(C)(C)C 729466963 ZABCZEBTDZEXRO-QGZVFWFLSA-N 440.540 4.018 10 20 IICD Cc1cc(C(=O)[C@@H](C)SCCS(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 730464379 AEIFZFNKIOXSOL-CQSZACIVSA-N 431.526 4.045 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3C[C@H](c4ccc(F)cc4)C[C@H]3C)cc2F)CC1 737049141 JDBFASSBTLPTGC-WIYYLYMNSA-N 442.554 4.194 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N(Cc1ccco1)Cc1ccccc1O 740483863 ISGMTUKHHSHJAS-HXUWFJFHSA-N 439.899 4.156 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 740492227 URSSKALQWQQINM-UHFFFAOYSA-N 425.573 4.473 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl 740918606 JVNBRRGKZCSIBV-NQIIRXRSSA-N 431.939 4.043 10 20 IICD COCCS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743157834 MRPRVUWWYWRYIB-UHFFFAOYSA-N 446.569 4.179 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C1CCCCC1)N(C)C 745491143 QPWNSFHBARVQRB-GOSISDBHSA-N 426.399 4.197 10 20 IICD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 749602649 KWSHUMILBPCGMY-LJQANCHMSA-N 449.574 4.261 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCC[C@@H](N4C(=O)c5ccccc5C4=O)C3)CC2)cc1 751599423 CWUIXKARAQUCHC-IFMALSPDSA-N 447.579 4.251 10 20 IICD COc1cc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c(O)c(C(C)(C)C)c1 754720979 WPWNKSKBUUENEU-UHFFFAOYSA-N 435.586 4.003 10 20 IICD C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)cc(Cl)c1O 756454262 BVBFUQWHUTXLSC-LBPRGKRZSA-N 432.767 4.074 10 20 IICD C[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(Br)c1O 756764760 KNKAAVYTGKDBOR-DGCLKSJQSA-N 449.183 4.296 10 20 IICD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCCCSc1nccs1 758562455 DFBJLCCGARHPNJ-UHFFFAOYSA-N 432.493 4.048 10 20 IICD C[C@H](c1nc2ccccc2n1C(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 760977632 QUIWGDFGTTUOMB-LLVKDONJSA-N 434.830 4.316 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1nc(C2CC2)cs1 766208977 CZHCVNZLCNKTQW-OQLLNIDSSA-N 449.648 4.380 10 20 IICD Oc1cc2c(cc1CN1CCN(Cc3ccc(-c4cccc(F)c4)s3)CC1)[C@@H](O)CO2 768442659 YLNYJIINMKOXRV-QFIPXVFZSA-N 440.540 4.003 10 20 IICD CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl 769865136 METVVTGIILUMCH-UHFFFAOYSA-N 439.114 4.465 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(N(C)C)cc1 773860232 WZRFEQBUCHFUDA-QGZVFWFLSA-N 448.592 4.193 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1 774376902 QVDBCYGLHFYBHV-XMMPIXPASA-N 433.552 4.388 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc2)CC1 776302407 OCBXPFBVKFGDEA-UHFFFAOYSA-N 448.953 4.469 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 779548379 RYKCMQHQEBHJFV-ZRDIBKRKSA-N 443.547 4.114 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](COc4ccccc4)C3)cc2F)C[C@@H](C)O1 779979554 CKCRRXAIYJADJP-SBHAEUEKSA-N 441.547 4.050 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 784108502 YLJCZAWSODKGPS-UHFFFAOYSA-N 428.536 4.417 10 20 IICD NC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 788219955 FVNZFUFQAKFYSB-UHFFFAOYSA-N 428.322 4.017 10 20 IICD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 788447242 WYIAXGJDJHBPSZ-UYAOXDASSA-N 436.474 4.464 10 20 IICD CS(=O)(=O)N1CCc2c(NCc3ccc4c(c3)CCN4Cc3ccccc3)cccc21 796356722 PQKLSJGBFLDCML-UHFFFAOYSA-N 433.577 4.184 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 797648208 VYDSPYLNWDYBTE-QFYYESIMSA-N 434.361 4.233 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc1 797824199 DPLVWFYUEYKZEW-UHFFFAOYSA-N 433.332 4.088 10 20 IICD COCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 801525614 WLOXXVJXYXPKHN-UHFFFAOYSA-N 425.279 4.028 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC 802219904 LPJNYAFAEDIWON-UHFFFAOYSA-N 433.936 4.395 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NCc1cc(Br)ccc1O 807385883 SPOTUGWHGKEHCX-UHFFFAOYSA-N 439.309 4.385 10 20 IICD C[S@@](=O)Cc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 807413902 YWCLNBYLZAXBDC-WJOKGBTCSA-N 434.521 4.235 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1 811822504 JWKHLZGQUUVRSY-UHFFFAOYSA-N 434.564 4.048 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F 812018693 TZXRXYGNDAIBKH-LJQANCHMSA-N 448.583 4.070 10 20 IICD Cc1cnc2c(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)cccc2c1 861751375 RQDCAXJLABKEBF-UHFFFAOYSA-N 425.491 4.196 10 20 IICD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 916127273 JNZCFQKNPQDYNU-VBKFSLOCSA-N 447.451 4.148 10 20 IICD COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918217515 FOYYNVCATHKOBJ-HSZRJFAPSA-N 441.547 4.498 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)CCc2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 919588640 GRQYMWAHJRGAHB-INIZCTEOSA-N 445.466 4.176 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 921238124 MDQKFQKZSYSZMO-KRWDZBQOSA-N 434.920 4.284 10 20 IICD Cc1cc(C(=O)NCCCOC[C@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 302944591 KUSXPJQGDAOWNP-LJQANCHMSA-N 435.362 4.172 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c(C)n1-c1ccccn1 303530889 RRKQIIICXQKZAN-QGZVFWFLSA-N 439.357 4.260 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c(C)n1-c1ccccc1 729293709 WUUJNEYFCLXLSG-AREMUKBSSA-N 446.547 4.018 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)Cc3ccc(Cl)cc3)cc2F)CC1 730132517 FCIHHTOUIFWJON-UHFFFAOYSA-N 432.971 4.353 10 20 IICD COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 730172905 BALHJLGXWXBUFO-XPLIPZDOSA-N 426.532 4.253 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)cc2F)CC1 730193976 HLDHMQFQVVNJEM-UHFFFAOYSA-N 449.526 4.360 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 732449564 MMLQHLFAQRWWSR-OAQYLSRUSA-N 428.964 4.133 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 732564890 VNECCOGLJFORRP-NRFANRHFSA-N 444.579 4.325 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)n2)cc1 734975724 ZBWKEBXTYHLVFC-UHFFFAOYSA-N 441.578 4.239 10 20 IICD C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 741733006 DBSPWAIUCHXQCM-MRXNPFEDSA-N 436.383 4.139 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 742782449 AUQBTMIEZIGRSP-SFHVURJKSA-N 433.508 4.028 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cn1 743045923 GCCZWHDNACEDAH-UHFFFAOYSA-N 426.523 4.114 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cccc(Br)c1O 747624734 UBOIFKCVEFMKHR-UHFFFAOYSA-N 427.726 4.244 10 20 IICD CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 748620510 YEHUYJWWIBHBAE-PKTZIBPZSA-N 447.595 4.056 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2ccc3ccccc3c2O)N2CCOCC2)cc1OC 756361935 IKFULYXSRLFUIE-MBSDFSHPSA-N 436.552 4.287 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)Cc3cc(Br)cn3C)cc2)CC1 758755779 SHNBYZUATYVSMT-UHFFFAOYSA-N 433.394 4.366 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](c1ccccc1)N1CCCCC1=O 761751689 AEXMUHSULAEARY-NRFANRHFSA-N 445.357 4.257 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)Nc1nnc(-c2ccco2)o1 762836724 LFJZBGMXUXKOGS-UHFFFAOYSA-N 433.380 4.246 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)c1 764261447 PREBUFGQDNVZCD-GFCCVEGCSA-N 443.297 4.132 10 20 IICD COc1ccc([C@H](NC(=O)NCc2cccc(Br)c2O)C(F)(F)F)cc1 765346267 GYYFCJQXUCJJGU-HNNXBMFYSA-N 433.224 4.266 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(O)(c2ccccc2Cl)CC1 765467260 VMSJWLRQUDPDMF-UHFFFAOYSA-N 446.016 4.086 10 20 IICD COc1cc(-c2noc(CN(Cc3ccccc3O)C3CCCC3)n2)cc(OC)c1OC 767899042 LCAHQYKBGVQMKP-UHFFFAOYSA-N 439.512 4.413 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N(C)Cc2ccccc2O)c1 769281420 AYTLLLALCGZSLH-UHFFFAOYSA-N 436.533 4.404 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl 769294652 BFECCXBXOOJSDF-UHFFFAOYSA-N 427.682 4.308 10 20 IICD CC(C)(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21 770301681 SBDMVJGBONQQAV-DENIHFKCSA-N 434.584 4.248 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 773009893 PRFSLVNOMBDNMV-WZONZLPQSA-N 425.548 4.276 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1 773237278 OCRHPHJSSPDXQT-KZNAEPCWSA-N 428.552 4.066 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)c1ccc(N)cc1 773655809 RTPCZZCSOUPKLM-AWEZNQCLSA-N 428.414 4.416 10 20 IICD CC(C)(C)c1ccc([C@H](O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 773976601 ARGBXVHODUIPPC-RUZDIDTESA-N 438.612 4.323 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3Br)c2)CC1 781046046 YNWNNHNHXDQNHZ-UHFFFAOYSA-N 436.737 4.023 10 20 IICD CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895581 GNDMZLUQXXYNLA-GOSISDBHSA-N 426.561 4.496 10 20 IICD Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)n2)c1 787013869 UNNKNFMSAGNMJO-CVEARBPZSA-N 426.952 4.077 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 789059414 BVEXCQONKBGVLL-KRWDZBQOSA-N 441.547 4.097 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 791250447 QUPTXGHBYDJCJA-INIZCTEOSA-N 432.948 4.496 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4ccco4)n(CC(C)C)c3=S)CC2)cc1 798151603 UWPBLYXQZXTPML-UHFFFAOYSA-N 427.574 4.118 10 20 IICD CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800571613 LGVZCIRELDQSQT-BXKMTCNYSA-N 439.987 4.166 10 20 IICD CC(C)Oc1ccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1 806175787 FMPZOUCFTJCAJR-UQBPGWFLSA-N 429.580 4.403 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 807505185 IBVIMMUPZPWYSR-JTHBVZDNSA-N 437.559 4.227 10 20 IICD O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807505713 NGGSMVJSQWVUBQ-GHTZIAJQSA-N 436.483 4.106 10 20 IICD Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)c(C)n1-c1ccc(C(C)C)cc1 808083527 YPBSYUYAUAFXGH-FQEVSTJZSA-N 435.572 4.243 10 20 IICD Cn1cc(N2CC[C@@H](SC3=NC(=O)/C(=C/c4csc5ccccc45)S3)C2=O)cn1 814773477 SVHIUYXMBNZIJJ-FWHZQNPKSA-N 440.575 4.144 10 20 IICD Cc1cc(CCNC(=O)NCc2ccccc2CN2CCCC2=O)c(C)n1-c1ccccc1 913640896 XMNKRSYAEXWWFM-UHFFFAOYSA-N 444.579 4.258 10 20 IICD COc1ccc(N2CCCN(CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)CC2)cc1 917087032 UGQHGHGANPVPLO-INIZCTEOSA-N 436.383 4.392 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1 917868483 VUGFAZQQJFBTLL-UHFFFAOYSA-N 427.501 4.025 10 20 IICD O=C(NCc1ccc(OCc2ccccc2)cc1)NCc1ccc(N2CCOCC2)cc1 919791740 HIPQUVCJSQQWQW-UHFFFAOYSA-N 431.536 4.102 10 20 IICD CC(C)CCOc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 920783769 WKCIZIWCKHHSPO-HXUWFJFHSA-N 438.572 4.135 10 20 IICD COc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)n[nH]2)cc1OC 1116097328 RWYOABFLEMOLPJ-UHFFFAOYSA-N 435.459 4.288 10 20 IICD COc1ccc(N(Cc2ccccc2)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 116792258 VTLOHKHVJKMAKJ-UHFFFAOYSA-N 437.503 4.324 10 20 IICD COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1OC 303347848 GPUCWMRZAWBDML-QGZVFWFLSA-N 436.346 4.353 10 20 IICD CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1 303425622 AOGHFJNVMIFRQF-CYBMUJFWSA-N 442.507 4.121 10 20 IICD CN(CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])c(O)c2)SC1=S)c1ccccc1 726626877 MBYKGOGEQSTWSH-QGOAFFKASA-N 429.523 4.028 10 20 IICD O=C(Nc1cc2c(cc1Cl)OCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695496 VSANFFUFTSSLHT-UHFFFAOYSA-N 439.846 4.461 10 20 IICD CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)NCc1ccc(N(C)C)cc1 727839777 DQFAGFZUIUQUOS-QHCPKHFHSA-N 435.568 4.266 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 728513606 BAEUJHRFPOKMNV-QFIPXVFZSA-N 449.517 4.060 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ccc2I)c1 728978184 NALBPLHYYJRRNS-SECBINFHSA-N 431.657 4.150 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4oc(C5CC5)nc4c3)cc2F)CC1 730132252 ANZPXHHWQFDMDP-UHFFFAOYSA-N 437.519 4.308 10 20 IICD CC[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4C[C@@H](C)O[C@H](CC)C4)c23)C[C@H](C)O1 732185360 PABABNXGTZOHRL-GHSBBIOCSA-N 442.600 4.250 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(c4ccc(F)cc4C)C3)CC2)cc1 735386450 VHSGXYMWXWIVAE-OAQYLSRUSA-N 440.563 4.080 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1F 735574886 QAKRLNAATATTQN-SFHVURJKSA-N 428.552 4.387 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 736393742 CZVHAQLHAPMCNC-UHFFFAOYSA-N 445.567 4.204 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(CC)CC)s2)cc1F 740004189 IAKRJQJUMXZNMS-UHFFFAOYSA-N 427.611 4.054 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)cc1C 741136997 NQIRDCBQTKUQBM-UHFFFAOYSA-N 443.550 4.493 10 20 IICD COc1ccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2)cc1 743049614 KDIGCYCBUUPFKR-UHFFFAOYSA-N 442.522 4.145 10 20 IICD Cc1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 743554366 CANITBCROMWCKS-QRVBRYPASA-N 429.536 4.014 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 743719164 RJIMMFQJWBNUDU-HXUWFJFHSA-N 447.362 4.499 10 20 IICD CO[C@]1(C)C[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1(C)C 744720958 OBPQBBAMGOLCSQ-MZUBWRHMSA-N 438.640 4.049 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1Br 746739147 QLMWDJDHYQTGDK-UHFFFAOYSA-N 436.375 4.333 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 747503425 BBHHCOCCJVMNHO-MHZLTWQESA-N 430.596 4.261 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)cc1Cl 751128192 YTULFPIAIAKJAZ-UHFFFAOYSA-N 447.925 4.114 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 753199737 WECUYTNBXICTIB-OAQYLSRUSA-N 434.588 4.318 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 753878242 YITALDSPZSAMFF-UHFFFAOYSA-N 434.899 4.190 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12 757251035 LSCTUSIVSUOVJU-UHFFFAOYSA-N 443.555 4.389 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 758495991 BAJQPAICGXRFPU-UHFFFAOYSA-N 446.595 4.309 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)sc2C)cc1 759156016 BDBFOARRMUTCOL-UHFFFAOYSA-N 449.510 4.235 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1N(C)C(=O)C1CC1 761753900 WISRHJMAYCISHT-UHFFFAOYSA-N 431.330 4.190 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 761967275 KATGJRPWMLUJQA-INIZCTEOSA-N 446.503 4.117 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCOC3(CCCCCC3)C2)c([N+](=O)[O-])c1Br 763386941 PFIRSTNSAUUPEQ-UHFFFAOYSA-N 444.282 4.204 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 764895868 XEPASPDHMTZICE-UHFFFAOYSA-N 435.425 4.154 10 20 IICD C[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 765356353 ZUSGDWPAHLUOMY-NLFFAJNJSA-N 448.615 4.266 10 20 IICD Cc1nn(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1-c1ccccc1 766760655 IAIXIQPOIGZICN-IBGZPJMESA-N 440.494 4.245 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)nc1C 768011805 QVARUFQGQCQJQI-UHFFFAOYSA-N 428.486 4.046 10 20 IICD C[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)c1ccc(N(C)C)cc1 773614202 SGIQBFGRZSCNGK-KRWDZBQOSA-N 429.634 4.095 10 20 IICD CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 775727142 KHKDXBKUYIUNGH-MKFDZEHOSA-N 447.526 4.154 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 775770320 OJQHVFHGEYWKIR-OAQYLSRUSA-N 429.948 4.232 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21 775771234 UWRJCHZDAZKHJE-QFIPXVFZSA-N 443.975 4.262 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3c[nH]cc3-c3ccc(C)s3)cc2F)CC1 778749665 BWNXLCCVIIFTRH-UHFFFAOYSA-N 426.561 4.263 10 20 IICD O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)OCC(=O)c1ccc(O)c(O)c1 783541630 HCRYGOKPSVAADZ-UHFFFAOYSA-N 425.384 4.085 10 20 IICD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784058124 LLYIMRIKCINDFO-UHFFFAOYSA-N 429.904 4.013 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(Br)cc2F)C2CCCCC2)cc1 784060309 CLXAOVZRMIOJTC-UHFFFAOYSA-N 434.309 4.475 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 784107777 BHUWIROFQGUATB-UHFFFAOYSA-N 447.564 4.372 10 20 IICD CC(C)OCc1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 787988539 BSCHNRBRLSLTAJ-UHFFFAOYSA-N 438.568 4.295 10 20 IICD C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3cc(C(C)(C)C)on3)cc2Cl)C1 790332329 OBUIAUBBRUJPFQ-OAHLLOKOSA-N 440.009 4.481 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1-n1cccn1 793577423 KRDWMNCNSCMTEF-INIZCTEOSA-N 430.430 4.012 10 20 IICD C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N2CCCCC2)c(F)c1 794830266 VEYFEWFHMOAMKU-VBKZILBWSA-N 434.353 4.456 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 797817912 GZOYTCABMUWWES-UHFFFAOYSA-N 441.333 4.085 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1sc(N2CCOCC2)nc1-c1ccccc1 799698489 XYYGPMQAVUHBOF-UHFFFAOYSA-N 449.576 4.161 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCNC(=O)/C=C/c1ccccc1 800759828 SZBFPEJCSWUVPU-DTQAZKPQSA-N 434.584 4.038 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 802658342 VLWFMGAHPAEQSL-UHFFFAOYSA-N 430.961 4.422 10 20 IICD CS(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1 805360172 AAXLDPZDCOYGHG-UHFFFAOYSA-N 440.477 4.447 10 20 IICD Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807290303 TUZFXPUSQIBXGJ-UHFFFAOYSA-N 439.559 4.216 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1ccc(OC(F)F)cc1 807837629 YOTPJKHXMBKBIP-UHFFFAOYSA-N 443.237 4.120 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 809196773 XFTKPYOXYCOEOE-UNMCSNQZSA-N 425.548 4.081 10 20 IICD CCCOc1c(Cl)cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 814269487 TYZXBMLYFMWDTD-RVDMUPIBSA-N 443.974 4.292 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(N4CCCCC4)nc3)cc2F)C[C@@H](C)O1 916681905 MHHISVKXXAMTCD-QZTJIDSGSA-N 441.551 4.146 10 20 IICD CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917580617 FHFPQJUVJKMGIX-IYBDPMFKSA-N 445.560 4.103 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(-c2nccs2)c1 918055018 XIQMFSMFRZNNQP-UHFFFAOYSA-N 426.517 4.232 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)cc2F)C[C@@H](C)O1 918210711 XOEWSKVRUYWZNS-KDURUIRLSA-N 440.563 4.039 10 20 IICD Cc1cc[nH]c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800512996 VOLJBVBFLCPPBE-UADZTWIMSA-N 430.552 4.296 10 20 IICD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)s1 1808096419 HKWBWVLWDISHHS-UHFFFAOYSA-N 448.972 4.280 10 20 IICD COCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1817041696 GSEZKQJKHJHDHW-JOCHJYFZSA-N 449.555 4.160 10 20 IICD COc1cccc([C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2nccn2C)c1 29813829 AVRLLGOJUQDECQ-HSZRJFAPSA-N 432.499 4.495 10 20 IICD CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccc21 109459723 SNEQAIHCFVJQIB-NRFANRHFSA-N 446.378 4.297 10 20 IICD COc1cc(Br)c(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1OC 471822427 UZQWLNAHWQUMIH-UHFFFAOYSA-N 446.345 4.266 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)n(C)c2ccccc12 472793283 PDCLRHALBXAUQB-UHFFFAOYSA-N 445.494 4.460 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)Nc3cccc(Cl)c3)ccc21 482876302 HAPFYHNNTYDCGV-UHFFFAOYSA-N 427.932 4.269 10 20 IICD CC(C)c1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726727360 WCQLVYSGQVDWTO-UHFFFAOYSA-N 431.483 4.135 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1F 726801856 NOKMGQVMNWBEGZ-XDHOZWIPSA-N 431.510 4.049 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(ccn4CC(C)C)c3)CC2)cc1 737174709 QZZNFUDPOALDHQ-UHFFFAOYSA-N 448.567 4.030 10 20 IICD CCN(CC)c1ccc(CN(C)Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 738300607 YVKNTYATIHODIQ-UHFFFAOYSA-N 437.613 4.255 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC(c1cccs1)c1cccs1 738460075 MFZNCTPNLXIBAT-UHFFFAOYSA-N 431.558 4.374 10 20 IICD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@H]1Cc2cc(F)ccc2O1 740640902 GCLZHPDKEOVEIV-JOCHJYFZSA-N 447.374 4.416 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)CC2)cc1 742565761 OPKLMWOGDQOZDQ-UHFFFAOYSA-N 427.520 4.171 10 20 IICD CC(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 742907151 JXMZTEQRMHFYCO-SFKKXYGYSA-N 440.681 4.330 10 20 IICD COc1ccc(N2CCN(CCNC(=S)Nc3c(C)cc(C)cc3Cl)CC2)cc1 742910795 OJOCYRVSQATFLZ-UHFFFAOYSA-N 433.021 4.074 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1C 743045852 BZCPCTIEBFYBSI-UHFFFAOYSA-N 426.951 4.106 10 20 IICD CCOc1cn(-c2ccccc2)nc1C(=O)N(CC)Cc1cc(Br)ccc1O 743809577 XYJUPMSBXHXMOX-UHFFFAOYSA-N 444.329 4.401 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCc2ccccc21 745587879 HHZYOMRQIIAFTR-HNNXBMFYSA-N 432.362 4.137 10 20 IICD CCCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCc2ccccc21 746946481 BZBQBFXKONAKAH-QHCPKHFHSA-N 425.548 4.396 10 20 IICD C[C@@H](O)c1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 748554371 MAPBWCXPPMZJEU-CRRKTRLDSA-N 446.619 4.099 10 20 IICD Cc1cc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)c(C)n1-c1ccccn1 752367820 WVRCFPNUPTXXGD-TYPHKJRUSA-N 438.572 4.255 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c(N2CCOCC2)c1 753947256 OVWVAQGKTXMFCD-UHFFFAOYSA-N 435.524 4.042 10 20 IICD Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c12 754549410 YKJCWQISFWHKJC-UHFFFAOYSA-N 436.471 4.182 10 20 IICD C[C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(N2CCOCC2)cc1 756017371 JMOUOLFUOHQORM-OAHLLOKOSA-N 432.355 4.262 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3C[C@H](C)c4c(F)ccc(O)c43)CC2)cc1 756498165 WBMQRLGUNAKFKS-YWZLYKJASA-N 432.561 4.132 10 20 IICD C[C@@H]1C[C@H](NCc2cccc(OCCN(C)C3CCOCC3)c2)c2c(O)ccc(F)c21 756539172 JHENEDWWXJJEBM-VGSWGCGISA-N 428.548 4.359 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3Cn3c(C)nc4ccccc43)CC2)cc1 756692747 DGBMHPWEPYCRIZ-JOCHJYFZSA-N 447.583 4.196 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CC[C@@]3(CCOC3)C2)sc(C)c1-c1ccccc1 756902822 AZPXPRYSFUTQDD-XMMPIXPASA-N 442.581 4.341 10 20 IICD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 759033261 WTOQKOWBEABHFP-LJQANCHMSA-N 434.584 4.011 10 20 IICD COc1cc(N2CCN(C(=O)CCCCCc3cccs3)CC2)cc(OC)c1OC 759222058 TUFIYYSQDVGCOB-UHFFFAOYSA-N 432.586 4.226 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)C[C@@H](C)O1 761904005 PBXPKOALYGAKHK-CHWSQXEVSA-N 426.414 4.175 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1OC(F)F 762955769 ZILCQDKCQBCSNQ-UHFFFAOYSA-N 425.863 4.442 10 20 IICD COc1ccc(C[C@H](C)CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC 763087696 AXLIPHJGLDGRBV-SFHVURJKSA-N 425.573 4.323 10 20 IICD COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 763115979 IDTKEEFUZMCYFG-UXHICEINSA-N 445.604 4.017 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3cccc(OCCN(C)C)c3)cc2F)C[C@@H](C)O1 765124560 BKQLIYCXBNPAGZ-VAMGGRTRSA-N 429.580 4.231 10 20 IICD Cn1cc([C@H](O)C[C@@H]2CCCN2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 766961131 ODKPEIJYAJRFJH-XZOQPEGZSA-N 432.528 4.362 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccc2c(c1)COC2 770655418 HFVVCTFYOFROGL-ZDLGFXPLSA-N 444.603 4.076 10 20 IICD CCOc1ccccc1Oc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)cn1 771823979 HOLSGKYGIHRIOB-UHFFFAOYSA-N 432.568 4.314 10 20 IICD COc1cc(Br)c(CNCc2cccc(Br)c2O)c(OC)c1 775154319 ZPSLBVJRBMPPON-UHFFFAOYSA-N 431.124 4.224 10 20 IICD COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC 775408149 XEFCOORVMOKXAV-OAHLLOKOSA-N 427.545 4.245 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(c4nnc5n4CCCC5)CC3)c2C)cc1 775827006 QABDBMGPGVPCHF-UHFFFAOYSA-N 431.584 4.393 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 778913857 DUXTUIVTNMRVBW-HXUWFJFHSA-N 446.272 4.436 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1O 779038931 DGVBDKCTABAYAH-GFCCVEGCSA-N 438.753 4.226 10 20 IICD Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cccc1C(=O)N1CCc2sccc2C1 779474681 DDOVCRCMESBSOG-SOFGYWHQSA-N 434.517 4.318 10 20 IICD CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 780714583 ZPQZGDPTLJRQQV-YADHBBJMSA-N 441.547 4.463 10 20 IICD COC(=O)COc1ccc(N(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 784565740 ZNSCQYRZYMOGFI-UHFFFAOYSA-N 448.475 4.221 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(Sc4ccccc4)CCCC3)cc2)CC1 786659769 OHQNCKACRUBTNP-UHFFFAOYSA-N 437.609 4.076 10 20 IICD CCOC(CCN[C@@H](C)c1cc(Br)cc(Br)c1O)OCC 786970494 QEPARRJFISLHSW-JTQLQIEISA-N 425.161 4.357 10 20 IICD COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 793110657 OVPKIJVFZRMHBR-HSZRJFAPSA-N 445.523 4.468 10 20 IICD CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 806878539 RUGVQHIVYSHCIW-QGZVFWFLSA-N 448.470 4.049 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 807689587 IJXXIUMIYGHIHR-IBGZPJMESA-N 428.504 4.079 10 20 IICD O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809195869 ZDDQVOXAKWPMOJ-IRLDBZIGSA-N 432.520 4.042 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1 815153075 GSEQCHZVZIQHTK-JNDMAISQSA-N 444.616 4.015 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(Cc1ccc(F)cc1)C1CC1)c2[N+](=O)[O-] 823328108 GAURTCLWORFAAF-UHFFFAOYSA-N 444.418 4.314 10 20 IICD C[C@H](CCc1ccco1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914439628 JXRXWCLRHPBZBS-INQVIGDZSA-N 434.608 4.460 10 20 IICD Cc1cc(CC(=O)Nc2cccc(OCC(=O)N(C)C)c2)c(C)n1-c1ccc(Cl)cc1 916460408 NZMPLCICSGEKQR-UHFFFAOYSA-N 439.943 4.396 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCOc3ccc(F)c(Cl)c3)cc2F)C[C@@H](C)O1 917715355 POFRSCMFWJIBNW-HUUCEWRRSA-N 438.902 4.317 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2ccc(F)cc2)CCCC1 918211553 OSKGPXQKRSKHLN-UHFFFAOYSA-N 429.511 4.113 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(Cc4nc(N)c5ccccc5n4)no3)ccc21 1321100000 JKOQWZGFFCSGNO-UHFFFAOYSA-N 428.496 4.071 10 20 IICD CC(C)/C=C/C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1792059198 XRBGAOQEWWVBSV-NTEUORMPSA-N 444.535 4.126 10 20 IICD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)nc1C 1842294428 UQMAVMBWWWSAGA-UHFFFAOYSA-N 442.563 4.237 10 20 IICD CSCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398035 RKVBTAHVURUNJC-UHFFFAOYSA-N 439.625 4.300 10 20 IICD O=c1cc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12 96982657 SSRNIWKCULPMMO-UHFFFAOYSA-N 439.924 4.387 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 105052306 SCHJNYLNESPRAX-WSUXWNOTSA-N 447.417 4.216 10 20 IICD O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2ccc(N3CCOCC3)cc2)s1 209944540 UEJZRJAPUGQLAN-XMHGGMMESA-N 440.956 4.042 10 20 IICD Cc1c(CNC(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)n(C)c2ccccc12 463934008 YFJINYHIIXNIPD-VWLOTQADSA-N 445.523 4.033 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)ccc21 482958511 NPICYXLHUYNNNK-UHFFFAOYSA-N 427.888 4.141 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1C(=O)OC(C)(C)C 527466022 FRCPEKVQFDGJLB-UHFFFAOYSA-N 435.524 4.005 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)cc1)C1=S=CC=C1 546519834 BIJKDICNZTVUKG-UHFFFAOYSA-N 441.472 4.202 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(-c2ccccc2F)n1 726567613 NWFMCGTVULXPAW-UHFFFAOYSA-N 430.430 4.012 10 20 IICD CN(Cc1ccccc1)C[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 726796455 ABVNDVWGGLJYMA-GOTSBHOMSA-N 437.609 4.314 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)SC2=S)cc1Cl 726985580 PHRVIKYRGJPWET-FRKPEAEDSA-N 435.910 4.492 10 20 IICD CC/C=C/COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 727043488 AIYUCCVSISXTJP-MAAFPFIRSA-N 426.357 4.160 10 20 IICD C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 727091724 LUMOCXNIXXJBHE-CYBMUJFWSA-N 427.303 4.053 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnnn3C3CCOCC3)c2C)c1 729937091 PNVJNGWSRGDLLY-UHFFFAOYSA-N 425.558 4.024 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nccn1C 731048683 PEPXJBLKKOKUMD-DEOSSOPVSA-N 447.583 4.254 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1F 731364736 YWDUEMXCMLHILR-UHFFFAOYSA-N 436.572 4.118 10 20 IICD C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 738109699 JXRCHSBGCCFJQW-HNNXBMFYSA-N 442.585 4.386 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N(C)C)c(Cl)c3)cc2F)C[C@H](C)O1 738935308 RVPKNCBACDYIPY-GJZGRUSLSA-N 434.943 4.480 10 20 IICD CC(C)c1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cs1 742750575 OKOUPBFEFDLVDD-KRWDZBQOSA-N 432.590 4.328 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cn1 743046716 NTTZJDAQSHKPCL-UHFFFAOYSA-N 430.511 4.015 10 20 IICD CC[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CCOCC1 746359481 KWRDXUZDVZVGMY-VAFHRPCXSA-N 438.640 4.051 10 20 IICD Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(OCc2ccccc2)c1 749730392 OFNMDTMTMMMAOQ-UHFFFAOYSA-N 441.578 4.268 10 20 IICD C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751066873 NPQMAPMODOFKBW-RDJZCZTQSA-N 442.562 4.273 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nc(Cc2ccccc2)cs1 752909135 PZUSMCSHJKMSBS-UHFFFAOYSA-N 440.544 4.156 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4ccc(Br)cc4[nH]3)CC2)cc1F 753738185 MKHGLENTGDTZRT-UHFFFAOYSA-N 432.293 4.041 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(Oc3c(OC)cccc3OC)nc2)c1 756434219 UWYGLZSJUQDMSM-HNNXBMFYSA-N 438.480 4.234 10 20 IICD C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(Cl)c1O 757655723 FYJGEQYRGFZUGZ-SJCJKPOMSA-N 438.753 4.045 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 758738136 AZZOXRCZUMASFM-AZUAARDMSA-N 449.498 4.148 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2cnn(-c3ccccc3)c2)c(C)n1-c1ccccc1 759149915 APNWDFYXZBUPDZ-UHFFFAOYSA-N 433.533 4.078 10 20 IICD Cc1cccc(Cc2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1 761566715 KIAUHZFNJCPNGA-UHFFFAOYSA-N 427.507 4.204 10 20 IICD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 764242097 VKGJRZHMXIQYOD-SFHVURJKSA-N 446.617 4.274 10 20 IICD CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CCC2 765228434 GKNFKTLDLJXZQH-LZJOCLMNSA-N 443.567 4.094 10 20 IICD CC(C)CCOc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 765980900 UWDBBDZWADOIGC-FQEVSTJZSA-N 430.614 4.197 10 20 IICD O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 767965528 XUUAVSFBCHVUIE-BHDDXSALSA-N 427.495 4.142 10 20 IICD C[S@@](=O)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 768106200 OLGJTEOQZZUHQH-JCOAXYOVSA-N 434.521 4.277 10 20 IICD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773619628 NCEAZNQBBPUSNI-RBUKOAKNSA-N 437.588 4.130 10 20 IICD C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc(N(C)C)cc1 775532509 WHZNEGXQNXLLJI-OAHLLOKOSA-N 447.377 4.234 10 20 IICD C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 779979523 BPLOLVMGYLBVAI-KLZNWCGWSA-N 431.474 4.312 10 20 IICD CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C 780347293 MRBZLCBHOLIEQX-CPJSRVTESA-N 445.604 4.002 10 20 IICD O=C(Nc1ccccc1OCC(F)F)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896535 QOHBNAYETPCGLL-UHFFFAOYSA-N 432.467 4.336 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)COC(=O)N3)c(C)n1-c1cc(Cl)cc(Cl)c1 784464693 MTBJUQYEVAESRW-UHFFFAOYSA-N 436.339 4.158 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc2occ(C)c2c1 785192086 JUEJRURNBCSWPH-UHFFFAOYSA-N 431.286 4.197 10 20 IICD OCC[C@@H](Cc1ccccc1)NCc1cc(Br)cc(Br)c1O 799739952 SIDATZQNZXCWSH-HNNXBMFYSA-N 429.152 4.001 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 802472743 KBDXDAMDSUOIGN-DEOSSOPVSA-N 448.611 4.052 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 802472744 KBDXDAMDSUOIGN-XMMPIXPASA-N 448.611 4.052 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1(c2ccc(F)cc2)CCOCC1 804976484 ILQVCUTXLXLWHB-UHFFFAOYSA-N 427.303 4.386 10 20 IICD CC[C@@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1cc(Cl)cc(Cl)c1O 806161856 OKELCXWKKWHGKC-GOSISDBHSA-N 432.369 4.360 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCc1cc(Cl)cc(Cl)c1O 807835260 BUFWQMFWYGZFLR-CQSZACIVSA-N 429.344 4.352 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccco1)c1ccccc1OC 808779481 VTZNAGMWBUOCSK-HSZRJFAPSA-N 436.508 4.028 10 20 IICD C[C@@H]1Oc2ccccc2[C@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 809337519 FMPIFXFTJCTUTO-UTICHCSNSA-N 444.603 4.368 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3c(Cl)cccc3Cl)C3CC3)nc12 810023139 XSCLAPLVSNODKF-SFHVURJKSA-N 435.311 4.159 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1 812903625 VPBVJAJLJLIMIP-MHECFPHRSA-N 425.573 4.368 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1F 813062505 OOMYRIJFVDFVAK-RUZDIDTESA-N 427.564 4.199 10 20 IICD COCC1(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCOCC1 816790751 MBZMEDKUSGCGTI-UHFFFAOYSA-N 435.362 4.030 10 20 IICD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 884072400 BGSVYLVJDNGXQU-UHFFFAOYSA-N 444.538 4.153 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1C 914872292 KNCDVSHPMQPIOS-UHFFFAOYSA-N 448.566 4.262 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4c(=O)[nH]c5ccccc5n34)c2C)cc1 916619491 RIHGCXFNJYSGCJ-UHFFFAOYSA-N 443.532 4.262 10 20 IICD COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cc(Br)c1OC(F)F 917644214 VWILXBHYFPARSI-WDZFZDKYSA-N 436.299 4.423 10 20 IICD Cc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(C)n1-c1ccccc1Br 918083355 XUNAOCRECLSZBR-UHFFFAOYSA-N 426.314 4.137 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCSCc3ccccc3F)cc2F)C[C@@H](C)O1 918189527 YXRLONAVIOCKSR-CALCHBBNSA-N 449.567 4.311 10 20 IICD COc1cccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1OC 918423453 MOAKFFMATGKSQA-UHFFFAOYSA-N 432.480 4.417 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 919653622 PFCPWLSNANQVSD-QHCPKHFHSA-N 432.568 4.332 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)COc1ccccc1F 1116174786 BOSMKASTBDRKKC-ZDUSSCGKSA-N 425.298 4.293 10 20 IICD CCOC(=O)c1sc2[nH]c(/C(Cl)=C\c3ccc4c(c3)CCN4C)nc(=O)c2c1C 1319410205 PIWOCYLAFFPVID-GXDHUFHOSA-N 429.929 4.199 10 20 IICD Cc1cc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 1338223741 ZRJUITFZDOBDRX-UHFFFAOYSA-N 434.540 4.444 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c2C)cc1 26414912 XNGPYTGQLUFTCX-OAQYLSRUSA-N 447.535 4.264 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 475957672 RNSWQNYPULIGMV-IBGZPJMESA-N 448.350 4.090 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@@H]1c1cccc(Br)c1 726610113 CJXRDSLWYUPSLU-UXHICEINSA-N 446.414 4.358 10 20 IICD CC(C)[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc(C2CC2)no1 727941933 MLXUHCSQDJAKJL-GOSISDBHSA-N 449.502 4.214 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 729534850 DLNXJKTUXODLCK-SGTLLEGYSA-N 437.323 4.190 10 20 IICD CN(c1ccc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1)C1CCCCC1 729601701 TVUTYWLGZSZWOB-OAQYLSRUSA-N 434.584 4.340 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCOc3ccccc3C(F)(F)F)CC2)cc1 730127301 OBOILSAOWGBDSD-UHFFFAOYSA-N 437.462 4.061 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 730140077 OAOUEXJYYHFWDI-FQEVSTJZSA-N 428.527 4.375 10 20 IICD C[C@H]1CCc2c(sc3nc(CCC(=O)NCCCSc4nccs4)nc(O)c23)C1 733973595 RCVWKFOEZVBEHV-LBPRGKRZSA-N 448.639 4.209 10 20 IICD Cc1cc(C(=O)NCCCOC[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1 740843641 IERHEINQANHRSI-KRWDZBQOSA-N 435.362 4.030 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 740920134 TZJKKZUIKKOAEG-OAQYLSRUSA-N 444.501 4.155 10 20 IICD CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1 741136555 YSHJHISUIAJXJA-UHFFFAOYSA-N 429.586 4.350 10 20 IICD CS(=O)(=O)c1cccc([C@H](NCc2ccc3c(c2)CCO3)c2cc(F)ccc2F)c1 742384733 KPISSHDSHLCPIA-QHCPKHFHSA-N 429.488 4.182 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H](c1ccccc1)[C@H]1CCCO1 745796348 RGJAKTZVJXNORF-STZQEDGTSA-N 445.510 4.476 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745829239 XELHKZHVANIOAJ-SFHVURJKSA-N 432.515 4.131 10 20 IICD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 748617922 MDJADZRIOCYYOJ-GLDPYIMESA-N 443.563 4.013 10 20 IICD COCc1c(Br)cccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 750717775 UAXHGFKKFHLBET-OAHLLOKOSA-N 448.361 4.315 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 755078597 CQHDDRLNKRTXAL-UHFFFAOYSA-N 437.474 4.284 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)cc2)CC1 757900998 RRIZRHMXOUIVQW-UHFFFAOYSA-N 449.555 4.222 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 758809920 QOMSJCKIZXMTQY-IEBWSBKVSA-N 426.561 4.255 10 20 IICD CCCN(C(=O)NCCCSc1nccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 759602815 MCUWXSOUIJMFTC-OAHLLOKOSA-N 428.624 4.056 10 20 IICD Cc1ccc([C@H]2NC(=O)N(C3CCN(c4ccc(OC(F)F)cc4)CC3)C2=O)cc1C 761163559 ZTWWZIBCNCVZBS-HXUWFJFHSA-N 429.467 4.167 10 20 IICD CC(C)c1nc(C(=O)NCCc2ccc(O)c(O)c2)nn1-c1c(Cl)cccc1Cl 762267861 UEXBUNIWYQOGFO-UHFFFAOYSA-N 435.311 4.081 10 20 IICD CCOc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(Cl)c1O 762581532 GHGDRVBFNXJQAK-OKILXGFUSA-N 436.911 4.127 10 20 IICD C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763428882 ZQFYKZQWFFXMFN-ZWKOTPCHSA-N 431.577 4.151 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)c1 764261452 PREBUFGQDNVZCD-LBPRGKRZSA-N 443.297 4.132 10 20 IICD COc1cc(CN(Cc2ccccc2O)C2CCCCC2)cc(Cl)c1OCC(N)=O 768134893 XGOZCCYHYSPFCE-UHFFFAOYSA-N 432.948 4.253 10 20 IICD Cc1nn(C)c(N2CCOCC2)c1CN(Cc1c(O)ccc2ccccc12)C1CCCC1 769383790 JOJKQGZFAHRKQE-UHFFFAOYSA-N 434.584 4.369 10 20 IICD COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2)c1 769543787 HYAYSDJFLDEHSJ-HHHXNRCGSA-N 432.564 4.268 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(O)c1 770086185 CHBHUBVZDHTORT-SFHVURJKSA-N 442.512 4.266 10 20 IICD COCC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1 778759176 ZMJSTPONCVXALR-LPHOPBHVSA-N 437.487 4.235 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F 779538437 WOBIYXBTBCFTSU-FKVRIVCVSA-N 431.414 4.333 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CC1 780632073 GGMJYFGIOLEMKE-PXDATVDWSA-N 427.589 4.186 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 784026562 AMHSZWMPMSFJHP-UHFFFAOYSA-N 428.492 4.108 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 788544871 PHCUUJZDKXDVST-HXUWFJFHSA-N 427.530 4.134 10 20 IICD CSC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 790080126 PSOWXUQHUIJZDW-KAMYIIQDSA-N 426.654 4.131 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)c(O)c1 797638550 YNLCXKCJOPMMOS-UHFFFAOYSA-N 435.196 4.384 10 20 IICD CCOC(=O)Oc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 799933898 FHLKPBYOYDSRJI-UHFFFAOYSA-N 434.439 4.222 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc2)CC1 805022744 CFLHDVVGXJNHSQ-KRWDZBQOSA-N 429.511 4.037 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1)c1ccc(N)cc1 807003249 ZPPUGDCVYHGCJT-GOSISDBHSA-N 439.519 4.402 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 812975048 XTIOPNBQWLVCTD-UHFFFAOYSA-N 449.555 4.176 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)sc2n1 815180807 CZFDNMLCJWKFBY-CJNGLKHVSA-N 427.501 4.153 10 20 IICD C[C@@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 817708178 VIHTZUUAUWWKJK-GFCCVEGCSA-N 444.468 4.189 10 20 IICD COc1ccc(C(=O)NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 821684387 BYSJBSUNKRWBBC-UHFFFAOYSA-N 447.516 4.249 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c(C)n1-c1ccccn1 914614197 UPCHHAHPFYXAFF-ZDUSSCGKSA-N 433.295 4.375 10 20 IICD COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 915119734 HJTCZHUWDKSWGI-UHFFFAOYSA-N 438.597 4.476 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 916483403 SJIHPTXRZNFPSI-KRWDZBQOSA-N 429.561 4.461 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 916625732 NIDPMXRWMHTTPO-UHFFFAOYSA-N 435.597 4.205 10 20 IICD COc1cc2c(cc1CNCc1ccc(N3CCOCC3)cc1C(F)(F)F)O[C@@H](C)C2 916835374 WSRZDDZBMRTWBU-HNNXBMFYSA-N 436.474 4.164 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1NC(=O)c1ccco1 917385590 CIHIWMDKQNIWPJ-UHFFFAOYSA-N 435.549 4.324 10 20 IICD O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccc(N2CCOCC2)c(F)c1 917707676 UNYIPWXLBCDGGU-UHFFFAOYSA-N 434.467 4.257 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 918103754 KPROURKUKKNHTO-UHFFFAOYSA-N 431.540 4.132 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC 918174165 VMNRMGQZQQYWHA-QGZVFWFLSA-N 445.535 4.020 10 20 IICD C[C@@H](N[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920867618 VXNAFJZDZLLJIR-QFQXNSOFSA-N 429.564 4.232 10 20 IICD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)c1cccs1 1788429296 DBYURVNVDPFSLX-AWEZNQCLSA-N 437.521 4.106 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@]2(F)Cl)C3)cc1 1800514840 DLFCDKKGKAUJPY-SREQLBMHSA-N 443.950 4.270 10 20 IICD CCc1ccnc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1843198365 JMYJUDFWXNHMAS-UHFFFAOYSA-N 442.563 4.182 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nc2cc(Br)ccc2s1 437022815 VSQCDLBWHOLEFY-UHFFFAOYSA-N 446.370 4.483 10 20 IICD O=C1/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC(=S)N1CCc1ccccn1 726196836 CZQIKQJVYDXQGB-YBFXNURJSA-N 440.981 4.424 10 20 IICD COc1ccc(C2(CNC(=O)NCc3ccc(N4CCOCC4)cc3)CCCCC2)cc1 726235539 BLLKQZILKYLUDD-UHFFFAOYSA-N 437.584 4.233 10 20 IICD COc1ccc(-n2ccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)n2)cc1 726237538 JELGHUZZVILJGO-UHFFFAOYSA-N 432.480 4.092 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)C3CCN(C(=O)c4ccccc4)CC3)c2C)cc1 727410012 GOBNGHZYBIAXAN-UHFFFAOYSA-N 445.563 4.480 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 728197946 JLXUWFRZOWIHQW-QGZVFWFLSA-N 440.540 4.066 10 20 IICD O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O 728754824 RAGNKOMBVIUWIV-JOCHJYFZSA-N 433.552 4.262 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 729535095 JVTBTGCNGHSFLJ-SSOJOUAXSA-N 434.536 4.115 10 20 IICD COc1ccccc1[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 739003964 JNSUEGVEBIEBLY-QGZVFWFLSA-N 445.510 4.465 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(C)c1OCC(=O)N1CCCCC1 741664750 HZYGFVYUWUEYEO-UHFFFAOYSA-N 437.584 4.033 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1csc(COc2ccc(F)cc2)n1 741735624 JNTNEVNFBULRTG-UHFFFAOYSA-N 427.545 4.330 10 20 IICD COc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)sc(C)c1Br 742553925 MGDSDHSTIOBKED-UHFFFAOYSA-N 441.416 4.311 10 20 IICD Cc1c(Br)cccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 742557689 WJBDIGKLKVPCIW-OKILXGFUSA-N 435.337 4.440 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cnc3ccsc3c2)NC(=O)OC(C)(C)C)cc1 742750007 LFVRMKKEPOHVKS-LJQANCHMSA-N 440.569 4.358 10 20 IICD COC(=O)c1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c(OC)c(OC)c1 743192653 DUHMJPOVHLKBAC-UHFFFAOYSA-N 440.452 4.023 10 20 IICD CCN(CC)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 747012897 FJALDKXVNJYYNV-UHFFFAOYSA-N 435.528 4.148 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)c2C)cc1 753706702 JBOYIXHRFYQPLF-UGKGYDQZSA-N 440.565 4.129 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 756671197 LAYNBMAGCXXAMC-RPWUZVMVSA-N 432.572 4.054 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)CC2)cc1 756937691 ALGUJNYZFNRHNH-UHFFFAOYSA-N 443.547 4.324 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 758366586 WCJWXCHIIDFLBY-PKTZIBPZSA-N 443.588 4.441 10 20 IICD Cc1cc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(C)n1-c1ccccn1 766028524 BXRHXXKEOVZLPI-FQEVSTJZSA-N 427.451 4.304 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(COc2ccccc2F)on1 767101462 CLOJNMYPTADVEX-UHFFFAOYSA-N 429.411 4.355 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 769239834 NSJFYMDLFSPYJU-AUSIDOKSSA-N 429.586 4.112 10 20 IICD COCCn1nc(C)c(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C 772527978 UXLTZEGFEWLTAC-UHFFFAOYSA-N 425.533 4.040 10 20 IICD C[C@H](NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)c1ccc(N(C)C)cc1 773614934 UVKNVLZMCZBZLV-GIUOSPMZSA-N 430.593 4.148 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 773767473 NQNKQAPHSZFUIB-QGZVFWFLSA-N 445.494 4.380 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)cc1F 774188848 KTPSQVIPTRWYOL-UHFFFAOYSA-N 444.304 4.062 10 20 IICD C[C@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239368 XNIDAZOZOASMEV-PKOBYXMFSA-N 430.593 4.215 10 20 IICD Cc1cc(NS(=O)(=O)c2scc(Br)c2Br)ccc1O 776748390 FNYYYFDHFNAHSP-UHFFFAOYSA-N 427.139 4.088 10 20 IICD COc1ccc(OC(C)C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784059109 FOEQBWRMZXPMSR-UHFFFAOYSA-N 425.529 4.369 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 788954859 MQODODSKUIFGSR-IBGZPJMESA-N 431.989 4.156 10 20 IICD COc1ccc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c(C)nc2c1 790157027 DRYJDQMNFNLQOT-QHCPKHFHSA-N 433.552 4.439 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](c1cncc(Br)c1)C1CC1 790671476 GYYFIKGFJOTSRU-HXUWFJFHSA-N 429.362 4.395 10 20 IICD C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 796270010 CTJVNPWLWKUNAW-FQEVSTJZSA-N 449.620 4.350 10 20 IICD O=C(NCCCSc1nccs1)NCCc1c[nH]c2cccc(Br)c12 812153859 KAFHGHLVTCPDSY-UHFFFAOYSA-N 439.404 4.411 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)n1-c1ccccn1 914906649 PDMDACGUGDYFSF-UHFFFAOYSA-N 432.524 4.275 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 915306307 XKFVCOUZJYYUOL-UHFFFAOYSA-N 437.371 4.336 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(OC(F)F)c1 916456315 DNFNRPAPNDVCSO-UHFFFAOYSA-N 430.373 4.073 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc2c(cc1Br)OCCO2 918096870 FGORVWNRCNROOF-CQSZACIVSA-N 448.361 4.189 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 919916000 MGTFNPTWRBLPHW-QEEYODRMSA-N 447.938 4.416 10 20 IICD CCn1c(Cc2ccccc2Cl)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1341038237 BQZCCSDJXXQOIH-UHFFFAOYSA-N 425.964 4.268 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)CN)CCC3)cc2)cc1 1790692797 ZEBSVDUAXPBVCL-GOSISDBHSA-N 444.579 4.437 10 20 IICD CCc1ccccc1NC(=O)CN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 216475850 AZABPQBAWXHEKA-UHFFFAOYSA-N 439.600 4.017 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(C(F)(F)F)c1 472781206 BRFLFTFCUZAEFE-UHFFFAOYSA-N 433.430 4.159 10 20 IICD CCCc1c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cnn1-c1cccc(C)c1 472802435 BEGUNDUEYHMURR-UHFFFAOYSA-N 443.551 4.188 10 20 IICD C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCOC2=O)cc1 726247356 YZEUQDVHXLGFDT-KRWDZBQOSA-N 435.480 4.415 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 726565947 IUIRIUFBWTVEFF-QFIPXVFZSA-N 446.494 4.245 10 20 IICD CN(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc2ccccc2s1 726625344 GNSLHIXGUYBPKV-UHFFFAOYSA-N 446.523 4.119 10 20 IICD CCOc1ccccc1[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)NC(C)=O 728234624 MOJOANWSBQGJTD-HSZRJFAPSA-N 425.573 4.156 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N3CCc4sccc4C3)ccc21 728637023 GSWWHJVKCOWMMO-KRWDZBQOSA-N 440.565 4.096 10 20 IICD CCSc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 728958721 BSKUANMDEWPSRL-PXNSSMCTSA-N 440.613 4.061 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 729051680 VQUACFTWDUKZJN-CQSZACIVSA-N 426.542 4.040 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3c3ncnc4sccc34)cc2)CC1 731016015 CAHCWDVTUGGHPC-NRFANRHFSA-N 435.597 4.213 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2ccc3nnc(-c4ccccc4)n3n2)C1 732048611 AEEAAPYXXGXYTR-LJQANCHMSA-N 434.931 4.227 10 20 IICD CC[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4C[C@H](C)O[C@H](CC)C4)c23)C[C@H](C)O1 732185361 PABABNXGTZOHRL-JYAXBFRTSA-N 442.600 4.250 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(-c3ccc(O)cc3)n2)cc1 733893012 SXSXLWLTELKGPR-NRFANRHFSA-N 437.565 4.403 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1N1CCCS1(=O)=O 740850115 UGBVZSJVJSABBT-UHFFFAOYSA-N 441.528 4.334 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(N3CCOC3=O)ccc2F)cc1 741558748 JRRGLDSEVWXRHQ-UHFFFAOYSA-N 439.409 4.053 10 20 IICD CC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 741800474 MRUVRJDKPCKMLX-TXTKFYIRSA-N 441.591 4.009 10 20 IICD COc1ccc(OCCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742801705 RSXGPJDQJOTICD-QGZVFWFLSA-N 434.483 4.241 10 20 IICD COC(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743099538 ZDGQKRFTMGEQQF-CQSZACIVSA-N 437.418 4.004 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 743159420 QRVJDYCCGPJGSH-UHFFFAOYSA-N 433.512 4.448 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)c1 747859031 VAPYYZMAIVSBNT-UHFFFAOYSA-N 427.507 4.176 10 20 IICD O=C1CCCN1CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc21 751778382 FTWNIIVFPALMRT-NRFANRHFSA-N 432.568 4.113 10 20 IICD C[C@@]1(CCc2ccccc2)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 751781220 IHKUISPJZYQQMO-AREMUKBSSA-N 439.575 4.341 10 20 IICD C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1noc(-c2ccc(Cl)cc2)n1 752902409 DKKIKJHDUBKPBK-CQSZACIVSA-N 425.920 4.333 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1nc(Cc2ccccc2)cs1 752908809 PDEOARFLKVVZIN-UHFFFAOYSA-N 436.581 4.264 10 20 IICD C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1noc(Cc2ccccc2)n1 753048362 ARQGAFZJISJKER-QGZVFWFLSA-N 432.480 4.432 10 20 IICD C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 754245862 LCIWDDIHMMGGDX-CYBMUJFWSA-N 437.418 4.224 10 20 IICD Cc1ccc([C@@H](C)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c(O)c1 756593426 YZXYYEBVNUQUQM-CQSZACIVSA-N 426.376 4.366 10 20 IICD C[C@@H](NC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(N2CCOCC2)cc1 757910430 UOEZJVUYWPFQEJ-LJQANCHMSA-N 443.551 4.321 10 20 IICD C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)NCc1ccc(CN2CCOCC2)cc1 759714561 SJKKWYZLEVIGGY-MRXNPFEDSA-N 433.643 4.070 10 20 IICD C[C@@H](NC(=O)CCCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 760400455 OHBHLBOUYLCFDK-QGZVFWFLSA-N 431.374 4.486 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1SCc1ccco1 760884854 INEGXRGWCOWVPS-UHFFFAOYSA-N 438.549 4.453 10 20 IICD COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1OCc1ccccc1 763283347 IZZPNHAVMFZSNM-INIZCTEOSA-N 437.492 4.055 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cc1 764629321 MWARNUPTKGQDEE-IBGZPJMESA-N 445.629 4.045 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(N2CCOC2=O)c1 765117027 AOHCJGURVQKEQG-KURKYZTESA-N 427.520 4.247 10 20 IICD CC(=O)Nc1cc(C(=O)NCc2cccc(Br)c2O)cc(C(F)(F)F)c1 765728272 FTWFDBUZERURRV-UHFFFAOYSA-N 431.208 4.062 10 20 IICD CCOCCC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 765854653 JTEGXRQVVIBMJB-UHFFFAOYSA-N 425.520 4.153 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cnc(Cl)c(OC)c3)sc2C)cc1 767671271 KKJBCBQLGDQWFE-UHFFFAOYSA-N 439.946 4.375 10 20 IICD C[C@@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCOCC2)cc1 767900179 PRGHEWRXOZRBCV-LJQANCHMSA-N 439.556 4.142 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(-c3ncccc3F)n2)cc1 768302168 NJCZKIGPUDKFHP-SFHVURJKSA-N 440.544 4.232 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 772691320 JWDFCAVSGMSQHT-JOCHJYFZSA-N 435.572 4.495 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1)C1CCCCC1 773060592 ZNOUXYLLATWWHM-UHFFFAOYSA-N 434.462 4.124 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1cnoc1C1CC1 773480145 LPNZLLNKDMIWCO-DHDCSXOGSA-N 434.564 4.338 10 20 IICD C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Cl)c(Cl)cc1O 774137303 HAFXSERIYTXUNH-OAHLLOKOSA-N 425.356 4.261 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1 774142452 YFBSMYQVSNXKBK-ZDUSSCGKSA-N 431.385 4.378 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cc(F)c(Cl)cc1Cl 774953088 HZUQDMSNTRRRHB-ZDUSSCGKSA-N 436.314 4.002 10 20 IICD Cc1cc(Br)cc(CN(C)CCC2CCN(C3CCN(C)CC3)CC2)c1O 775727082 HQLPDGKYGSXKRY-UHFFFAOYSA-N 438.454 4.091 10 20 IICD COCC[S@](=O)Cc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782774652 LSKGHYMLSQPGHV-PMERELPUSA-N 431.602 4.090 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 783567521 NWHBYJICGPMNCV-UHFFFAOYSA-N 425.533 4.086 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2nc(C(C)(C)C)cs2)cc1)C1CCCCC1 789409359 RITYTVXSUZLLBV-UHFFFAOYSA-N 428.602 4.464 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2cc(Br)c(Cl)s2)SC1=S 790102059 XFRISVITYUAUAI-VMPITWQZSA-N 426.766 4.230 10 20 IICD C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ccc(N2CCOCC2)cc1 790513440 JSBHBLBCKCOFPF-GOSISDBHSA-N 435.499 4.127 10 20 IICD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 792205707 UFKRZUQULUHXPE-UHFFFAOYSA-N 449.290 4.468 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cscc1Br 795316988 FOQPZKVWDUNXAC-UHFFFAOYSA-N 449.292 4.296 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc2c(s1)CCCCCC2 807513324 ZAIOIXJSXCFOER-UHFFFAOYSA-N 428.341 4.069 10 20 IICD O=C(NCCCn1cc(Br)cn1)N(Cc1ccccc1O)C1CCCCC1 807611618 KXECEOTUMQBHCT-UHFFFAOYSA-N 435.366 4.286 10 20 IICD COc1ccc(C[C@@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 808817226 ABFBCAYCOPXGDZ-LJQANCHMSA-N 438.568 4.057 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3C)CC2)cc1F 808914833 AUAVHVWODSMLDM-UHFFFAOYSA-N 443.910 4.336 10 20 IICD O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809196453 UDBWDFJGGDCPRB-GHTZIAJQSA-N 436.483 4.106 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 813682789 KDWYHTVOLVSJPB-UHFFFAOYSA-N 441.270 4.430 10 20 IICD O=C(c1ccc(CN[C@H](CCc2ccccc2)c2ccccc2O)cc1)N1CCOCC1 815567739 JWPOUTOVTYZTCN-RUZDIDTESA-N 430.548 4.328 10 20 IICD O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 816789574 SEINBRLASSAWMH-CYBMUJFWSA-N 444.525 4.200 10 20 IICD Cc1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 903441920 HERFXNQYXMQDLH-UHFFFAOYSA-N 426.542 4.085 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 916648440 HIJCQCWAOIIJGT-PGRDOPGGSA-N 439.556 4.268 10 20 IICD O=C(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1 916837520 UYZWTDLIJKZYGB-UHFFFAOYSA-N 447.333 4.076 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3Br)cc2F)C[C@H](C)O1 917715214 ZOCFBULSLAWZGQ-STQMWFEESA-N 439.300 4.271 10 20 IICD O=C(CCCCc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 919765507 FHSORWUWHOBPTC-UHFFFAOYSA-N 431.374 4.315 10 20 IICD CC(=O)CCc1ccc2oc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c(C)c2c1 919969200 YKRQCJQJXCKHRD-UHFFFAOYSA-N 448.563 4.402 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2c(C(C)C)noc2n1 920843661 CRZHZJVAFMQVRY-HZPDHXFCSA-N 440.519 4.337 10 20 IICD Cc1cc(-c2nnc(-c3ccc(=O)n(-c4ccc(F)cc4)n3)o2)c(C)n1-c1ccccc1 1117227476 HDJVZLSMLWNTPF-UHFFFAOYSA-N 427.439 4.496 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1 1790216068 LLOLETVSUMAXBI-RIYZIHGNSA-N 444.487 4.265 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=COCCC2)C3)cc1 1800515550 TZWAPVYJYFSMOP-VILGAWFOSA-N 433.552 4.040 10 20 IICD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 482313378 AALWPAWIPHLBPF-UHFFFAOYSA-N 443.494 4.284 10 20 IICD Cc1cc(C(=O)CSc2nnc(C(C)C)n2C)c(C)n1-c1ccc2c(c1)OCCO2 726121095 RAMWUHMEKZKAMY-UHFFFAOYSA-N 426.542 4.092 10 20 IICD COc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C 728596557 FPLOCQCOEJHEOZ-ROUUACIJSA-N 429.536 4.098 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 728980244 YTOMYJXUSNYKLQ-MRXNPFEDSA-N 440.521 4.001 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc2F)CC1 730118877 VFLMBHKAAGTCNF-IBGZPJMESA-N 442.579 4.315 10 20 IICD COC(=O)[C@H]1CC12CCN(C(=O)c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2 733786993 GDMBTIPKMOKQPT-LJQANCHMSA-N 445.357 4.272 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(COc4ccc(C)nc4)c3)CC2)cc1 733929342 OEQMDAKMMUHEQC-UHFFFAOYSA-N 431.536 4.376 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 737158068 MUYMRGVJSNUMKB-LJQANCHMSA-N 445.519 4.131 10 20 IICD COC(=O)C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21 741589583 URGXBVKCGWCYAC-IBGZPJMESA-N 438.487 4.241 10 20 IICD O=C1CCSc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 742800284 QJKHOQRMFQWKSX-HNNXBMFYSA-N 447.507 4.121 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cn1 743045376 HMRXOHLJZBWISL-UHFFFAOYSA-N 446.941 4.459 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1cccc(Br)c1 743623593 ISYALDGXHOGKGP-MRXNPFEDSA-N 430.346 4.092 10 20 IICD Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744473738 KCKSGXVUPRHHSS-CQSZACIVSA-N 431.419 4.094 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C 746362559 UOHJPUOBPQENFH-WOJGMQOQSA-N 427.547 4.257 10 20 IICD O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccc1O 748350410 QTONYUAHMPQXMP-UHFFFAOYSA-N 434.496 4.188 10 20 IICD COc1cc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1SC 751307171 GLYUWBJKKQAQMG-UHFFFAOYSA-N 435.465 4.287 10 20 IICD COc1ccc(N2CCN(C(=O)c3oc4ccc(CCC(C)=O)cc4c3C)CC2)cc1F 753738108 LTLBCZLPCIJZQH-UHFFFAOYSA-N 438.499 4.373 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 753816231 KMXRJOFRJBNTKT-UHFFFAOYSA-N 425.529 4.286 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 755442819 OVCJMEKKBVGKAZ-RXVVDRJESA-N 438.547 4.097 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cncc(Br)c1 757909572 VBWSPQDTOIHMID-UHFFFAOYSA-N 429.112 4.366 10 20 IICD O=C(c1cc(F)ccc1F)C1CCN(C(=O)NCCCSc2nccs2)CC1 759589481 JAWVAOUWVVHLKR-UHFFFAOYSA-N 425.526 4.208 10 20 IICD O=C(Nc1ccccc1O[C@@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760062815 PPJZUXVDWIRRSH-QFBILLFUSA-N 447.482 4.246 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 765375641 JCVIBHNGVZOLTD-DNVJHFABSA-N 429.605 4.181 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)CC2)cc1 765998278 RZNONWKGLGRDTO-GOSISDBHSA-N 435.490 4.431 10 20 IICD O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc(Br)c2O)CC1 768311278 HRBJEANKHYPTOK-UHFFFAOYSA-N 443.263 4.132 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCOc2ccc(OC)cc21 768529031 JKFXKUPLFSNSST-KRWDZBQOSA-N 435.318 4.219 10 20 IICD Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1cccc(Cl)c1 769316949 QCYJNXKYVMUDMA-GOTSBHOMSA-N 429.992 4.245 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc1 772101198 XYZMNMFZUQKPHE-GOSISDBHSA-N 427.508 4.472 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2cc(Br)cc(C)c2O)N(C)C)cc1OC 779029851 KSVJZPPEYGUXQO-KSSFIOAISA-N 437.378 4.434 10 20 IICD Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896786 UXMNSYJOPCLQQJ-UHFFFAOYSA-N 438.572 4.473 10 20 IICD Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 784892559 FDGIXGKNLOAEDN-AWEZNQCLSA-N 431.462 4.211 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 791249309 UVUGHKOXFQFSEQ-UHFFFAOYSA-N 447.535 4.248 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ccc(OC)cc2O)cc1 794378157 DCSLXUNIIFPWEG-UHFFFAOYSA-N 443.503 4.121 10 20 IICD O=C(c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1)N1CCC[C@@H](O)C1 796330546 KPLASDBSLPCSKN-AREMUKBSSA-N 441.575 4.458 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cnc5ccccc5c4)n3)ccc2N1 800925864 HDVLQCAPMFGCBG-UHFFFAOYSA-N 436.518 4.044 10 20 IICD CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 807266769 FLNAFBSSFZHUOY-JOCHJYFZSA-N 429.511 4.181 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807512642 BJCXNFNCOFGQIM-UHFFFAOYSA-N 446.128 4.333 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 807675072 UJMOUEMRQUMYRG-MGPUTAFESA-N 435.490 4.462 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cncs2)sc(C)c1-c1ccccc1 809228685 BQMPIUDNPVLBHQ-UHFFFAOYSA-N 430.507 4.152 10 20 IICD COc1ccc(O)c([C@@H](C)NCc2cc(Br)cc(Br)c2N)c1 813332016 ZDLNKBZFJTUXJJ-SECBINFHSA-N 430.140 4.359 10 20 IICD Cc1cc([C@@H]2CCCN2C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1 914452621 YLBSLQCSRGHQHZ-BQGMYUGNSA-N 447.607 4.390 10 20 IICD CCOc1cccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 916076641 UXLWIYYBAOGMLF-AQTBWJFISA-N 446.619 4.445 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 916224802 TZKSZRHYMOYYHC-QHCPKHFHSA-N 435.547 4.481 10 20 IICD C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917938183 HGCDYXMZYFHZFF-GJZGRUSLSA-N 443.459 4.048 10 20 IICD O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294174 LQEXZKVMNDBPAE-UHFFFAOYSA-N 434.370 4.051 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 919299149 JQNILHAYUDCONG-UHFFFAOYSA-N 444.535 4.270 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)nc4)C3=O)cc2F)CC1 1318195797 ZJINLRPURUXEOK-BOPFTXTBSA-N 448.976 4.032 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC(Cc4c(F)cccc4Cl)C3)CC2)cc1 1319009690 ZNDSWNVZSZVLJY-UHFFFAOYSA-N 431.939 4.341 10 20 IICD Cc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1801777674 GNZQVQXYSFKFRB-DQEVTTJGSA-N 442.943 4.115 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3cccc(F)c3)C2)cc1 1842707342 WXVMSPAQHPVSDW-UHFFFAOYSA-N 445.538 4.293 10 20 IICD COc1ccc(N2CCCN(C(=O)Cn3c(SC(F)F)nc4ccccc43)CC2)cc1 108689451 XOMBENSNUFGKSF-UHFFFAOYSA-N 446.523 4.099 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N(CCCN3CCOCC3)Cc3ccncc3)c2C)c1 111150862 HKXRELKKXLFADX-UHFFFAOYSA-N 446.595 4.162 10 20 IICD Cc1cc(C(=O)NCc2nnc(S)n2C2CC2)c(C)n1-c1ccc(Br)cc1 111201616 UQQIJHNJOMLQTJ-UHFFFAOYSA-N 446.374 4.002 10 20 IICD Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)cc1[N+](=O)[O-] 302694998 SLKBMQORQOQBGV-UHFFFAOYSA-N 434.334 4.487 10 20 IICD Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCOc2cc(N(C)C)ccc21 437007377 JZFLYQJEVPHGIH-UHFFFAOYSA-N 428.330 4.273 10 20 IICD CCn1c(SCC(=O)NCc2c(C)c3ccccc3n2C)nnc1-c1cccs1 471224811 VDSQLLBALMCDOE-UHFFFAOYSA-N 425.583 4.235 10 20 IICD CCOc1ccccc1N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 485022183 DMKKUSYYBLTBHC-UHFFFAOYSA-N 435.568 4.266 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cn2ccc(Br)cc2n1 578105029 GSGVQTLVFKVWKG-XFFZJAGNSA-N 427.689 4.404 10 20 IICD Cc1ccc(OCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 725868138 FHLRHYIGGYDHOO-OALUTQOASA-N 429.536 4.016 10 20 IICD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl 726289639 AXVSYAYJKAVZKG-UHFFFAOYSA-N 436.339 4.198 10 20 IICD COc1ccc(/C=C/C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726566638 XLAQJPLFSCWXBY-ONNFQVAWSA-N 432.467 4.104 10 20 IICD CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC 726626834 HHIWMKOXHCYYMT-YBEGLDIGSA-N 448.953 4.252 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 729037799 REHSKEJJBYHRLF-ULQDDVLXSA-N 425.529 4.402 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NCc3oc4ccc(F)cc4c3C)cc2F)CC1 730122585 PDQICLPVBAJRTD-UHFFFAOYSA-N 442.510 4.161 10 20 IICD C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 731445794 BQCTVJDSSDGROS-CQSZACIVSA-N 429.369 4.011 10 20 IICD CCn1c2ccccc2c2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)ccc21 734701585 GYYIOKAVYSHLKM-UHFFFAOYSA-N 428.536 4.444 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2c(c1)C[C@@H](C)O2 735330540 QULXPUFRTOEEQU-JSKDENIMSA-N 427.503 4.153 10 20 IICD Cc1cc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 735479725 VKELOOCNMSJXNS-UHFFFAOYSA-N 431.945 4.049 10 20 IICD Cc1ccc(Nc2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2)nn1 736069444 JQTJHONNFSPWAK-HDICACEKSA-N 449.530 4.211 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1 737126215 HWEAPRMYAYODNF-UHFFFAOYSA-N 449.580 4.037 10 20 IICD CC1CCN(c2cccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)CC1 740456578 DNQKSRPOONFAQR-UHFFFAOYSA-N 436.600 4.453 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2ccccc2c1 741913504 JMEAMXILMLLYSJ-QFIPXVFZSA-N 429.564 4.136 10 20 IICD COCCCOc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 741925133 OJUBVADJIFSDAJ-UHFFFAOYSA-N 434.483 4.102 10 20 IICD C/C(=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 742566907 RIVWQPLLKCNBLK-BAILOTOSSA-N 445.485 4.127 10 20 IICD C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)S1 742771598 BNEMVZWJCOTICL-HUUCEWRRSA-N 444.578 4.112 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(CCc1ccccc1F)C1CCCC1 746949862 KCBKFZOUOPKFBN-UHFFFAOYSA-N 425.548 4.359 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 747885462 YDTYYEAFMHFMLG-UHFFFAOYSA-N 439.556 4.172 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1I 750721238 WMQJAIFZVFMLQZ-UHFFFAOYSA-N 426.273 4.159 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccccc1OC(F)F 751919001 KBSVDTVJQRHPJN-LBPRGKRZSA-N 447.463 4.102 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 752657231 QFJNODPEPPAZCA-UHFFFAOYSA-N 446.576 4.240 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c(F)c(F)cc(F)c1F 753038448 BDEYEZVLXFAMKV-UHFFFAOYSA-N 435.215 4.443 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(OC4CCCC4)c(OC)c3)CC2)cc1F 753738097 LSEQITNJBVYXHS-UHFFFAOYSA-N 428.504 4.127 10 20 IICD O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1ccc(N=Nc2ccccc2)cc1 753850431 LIDZVGHNJSTDIS-RTWAWAEBSA-N 426.542 4.082 10 20 IICD CC(C)CO[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 759302910 DORNQVOGYBBNIN-QJISPJEISA-N 438.640 4.003 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3c(Cl)cc(Cl)cc3C2)c1 765454578 IJGFZCKJVWXMBS-UHFFFAOYSA-N 449.378 4.292 10 20 IICD CN(C)[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 768944573 CNKDNMOAUVBUNJ-OAQYLSRUSA-N 425.470 4.074 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(Cc1ccccc1F)C1CC1 769638717 KTBNIIPTHGFWTK-UHFFFAOYSA-N 446.525 4.198 10 20 IICD C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C 775236957 XRVVPLOSUNEOML-PKOBYXMFSA-N 443.544 4.485 10 20 IICD CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)CC1 775301375 DPAQTKOCRWEFOF-HNNXBMFYSA-N 433.955 4.380 10 20 IICD CNC(=O)c1cc(Oc2cc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2C)ccn1 775660950 WIQHRUMTEDOGCP-KRWDZBQOSA-N 447.539 4.491 10 20 IICD COc1ccc(Cn2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cn2)cc1OC 777500138 XDFARRZDEPHSAQ-UHFFFAOYSA-N 436.556 4.065 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 781361831 IXFDXHNZYZDURN-NRFANRHFSA-N 427.618 4.407 10 20 IICD CCCNC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783483432 WTPQLRLWOLFHNX-GOSISDBHSA-N 444.535 4.142 10 20 IICD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784058104 KYUMTEMESOHHEO-LICLKQGHSA-N 435.524 4.150 10 20 IICD C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1c(Cl)cccc1Cl 788935101 APYHMYCAOMJUDP-OAHLLOKOSA-N 434.367 4.130 10 20 IICD CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 789370184 NGKRJRZCJOYYNA-UHFFFAOYSA-N 449.555 4.311 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2Cl)C1 800050688 ZLGJJXMTIVFLAK-INIZCTEOSA-N 434.989 4.051 10 20 IICD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cccc1[N+](=O)[O-] 800636659 MZLDVQYNIPZATM-CQSZACIVSA-N 444.919 4.048 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 808864502 SFBACVAWWFFXTO-HXUWFJFHSA-N 435.490 4.243 10 20 IICD COc1ccc(-c2ocnc2C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 809727448 JIQHJVSRHOCSAZ-GOSISDBHSA-N 441.915 4.104 10 20 IICD COCc1nc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cs1 811933789 WJOBPLADSDRTNN-UHFFFAOYSA-N 434.359 4.390 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(C(F)(F)F)s1 812318076 RHZFDQQNGXHJSG-UHFFFAOYSA-N 434.442 4.420 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc1 812650277 SZWVJLZHGHYOKE-KXBFYZLASA-N 435.615 4.043 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 916503059 FKWWELLUEZXKRE-UHFFFAOYSA-N 437.613 4.447 10 20 IICD Cc1nc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2o1 916631857 KVJLOQBSPJCICQ-UHFFFAOYSA-N 434.418 4.313 10 20 IICD C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917712296 WRWKQUVAXYMIMK-CYBMUJFWSA-N 427.303 4.053 10 20 IICD CCCNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 919775045 JFPUIMPVNWBYJZ-UHFFFAOYSA-N 447.004 4.355 10 20 IICD CC(C)CNC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1Cl 1321692545 CPPFQANCABJTOS-UHFFFAOYSA-N 432.971 4.229 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 1323483170 NABZSCHSNDUCOE-UHFFFAOYSA-N 427.869 4.102 10 20 IICD Cc1csc([C@@H](N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)n1 1323792300 LXTBNBMLYVVSHF-SZNDQCEHSA-N 445.544 4.295 10 20 IICD CC(C)n1ncc2c1[C@@H](NC(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 1342638968 RSFMJNFQKKFCBK-PXNSSMCTSA-N 447.530 4.411 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3nccs3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1787516997 LPKKFPVZJRDIOU-UHFFFAOYSA-N 443.912 4.269 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1)c1cc(O)nc(O)c1 1789367514 LJIAXVQRYNWYSJ-UHFFFAOYSA-N 448.504 4.097 10 20 IICD C/C=C/C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1812543196 ZZJITUVYXNJURO-KNFWRMDSSA-N 442.563 4.385 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCc1ccccc1F 11645620 SWIOTQRSSOLVNB-IBGZPJMESA-N 425.529 4.277 10 20 IICD CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 16134803 ADPJDBHEIPWSLT-UHFFFAOYSA-N 432.948 4.246 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCSc1ccc(Br)cc1 108789468 XFBSWPUXTMUULR-UHFFFAOYSA-N 449.414 4.427 10 20 IICD Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1 117630328 GXPHNLJMYFVDFH-UHFFFAOYSA-N 426.532 4.257 10 20 IICD CN(C)c1ccc(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cc1 248085958 DNJJJMQNNBQTDI-UHFFFAOYSA-N 438.174 4.300 10 20 IICD CN1CCCc2cc(CNC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)ccc21 302945548 CAHSJKOZGFKTMX-VWLOTQADSA-N 426.516 4.453 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 728695402 WEGGGXWVQJXJSC-OAQYLSRUSA-N 431.540 4.306 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 728981219 VUHRYPAJNUJYBU-WCQYABFASA-N 447.582 4.227 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 729536376 ZZEDLZRGCVIRLY-ZHRRBRCNSA-N 449.507 4.170 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4cnn(C(C)C)c4c3)cc2F)CC1 730384003 XWHMSCIFNZOFPV-UHFFFAOYSA-N 438.551 4.220 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1C 731298083 ADDVWHAMSBGVMY-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CCc1cc(O)nc(-c2ccc(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nc2)n1 731662095 AIFBJRIRXUAHLL-HOTGVXAUSA-N 437.519 4.171 10 20 IICD COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CCC(=O)N2C)cc1 734433976 PKFFYMXYVXJEPQ-RSXGOPAZSA-N 449.595 4.157 10 20 IICD Cc1ccc(CNC(=O)c2cccc(CNC(=O)NCc3ccc(N(C)C)cc3C)c2)cc1 734658753 VGCGUHGYBXUXBQ-UHFFFAOYSA-N 444.579 4.299 10 20 IICD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc2o1 737100191 OSJHXTJYIODJIY-UHFFFAOYSA-N 434.540 4.272 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N(CC)CC)cc2)cc1 741070872 KUCFBILAWUYHCJ-UHFFFAOYSA-N 432.590 4.396 10 20 IICD COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc3c(c2)CCCN3C)c1 741405039 FUZUFMXVHWRWPX-UHFFFAOYSA-N 432.524 4.264 10 20 IICD CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 745810401 HBKSOQDYHZDDDP-IBGZPJMESA-N 443.592 4.381 10 20 IICD Cc1cc(N2CCSCC2)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 747977441 XNEPFQIPHSFVCD-UHFFFAOYSA-N 440.613 4.049 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Br)c2c(c1)OCCO2 748727108 ABRZBAVTLRWINS-UHFFFAOYSA-N 431.330 4.141 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 750984996 UKVNTEMXFIKFKL-VXKWHMMOSA-N 429.630 4.141 10 20 IICD C[C@H](NC[C@@H](O)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756476864 WISWPRJRUVWLBT-BJOHPYRUSA-N 433.115 4.441 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C[C@H](c2ccsc2)O1 759727546 OLYRNANTMVDABY-DBHNTLKXSA-N 447.576 4.172 10 20 IICD C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O 761162760 WQHZLTBCZRUUNE-JLTOFOAXSA-N 448.350 4.054 10 20 IICD O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 764624588 HUUMGQFPZMNACU-KRWDZBQOSA-N 447.413 4.282 10 20 IICD CN(Cc1cccc(O)c1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769280238 JDKKPPZUSDGDRL-SFQUDFHCSA-N 432.592 4.094 10 20 IICD COc1ccc(OC)c(NC(=O)C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 773609560 DIYANYCLKHSSQC-QGZVFWFLSA-N 434.492 4.138 10 20 IICD C[C@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1 775261501 VRCIERJIOUVZKN-QZXCRCNTSA-N 427.397 4.288 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)c(Br)c(F)c1 775378287 JVAKKBKEJVATHV-UHFFFAOYSA-N 444.251 4.025 10 20 IICD C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1)c1ccc(N(C)C)cc1 775406234 WHYQPJRLZZGEIH-ROUUACIJSA-N 448.567 4.394 10 20 IICD COCc1nnc(-c2cccc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)c2)o1 776453108 CIKMBQYAFGVSFG-UHFFFAOYSA-N 445.475 4.330 10 20 IICD COC(=O)[C@@H](NCc1cc(Br)cc(C)c1O)c1ccc(Br)cc1 779176096 ZQRBVIBAMJRSGQ-HNNXBMFYSA-N 443.135 4.230 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(-c4ccc(C)o4)ccc3C)CC2)cc1 796789210 ZGLPDIIUNYUKIQ-UHFFFAOYSA-N 447.535 4.296 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O 806168820 BSVPFBLCUCACAJ-TZMCWYRMSA-N 437.300 4.447 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 807193709 GVFOIFIJVXKZTF-KOSHJBKYSA-N 437.559 4.214 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 808525829 GPLHMWHHBXTTFX-UHFFFAOYSA-N 441.987 4.418 10 20 IICD Cc1cc(Cl)cc([C@@H](C)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c1O 808717269 GIBKLQUWSNCCNL-QKFKETGDSA-N 427.932 4.430 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c2cccnc12 906468661 JKRKSVLBSXSSLJ-UHFFFAOYSA-N 425.491 4.196 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2nc(-c3ccsc3)no2)c(C)n1-c1ccccc1 914470015 NMBIYJUKEHVFCJ-UHFFFAOYSA-N 441.534 4.003 10 20 IICD CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 916679960 APPVQQACZCQQJR-HZPDHXFCSA-N 444.507 4.329 10 20 IICD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)Cc1ccccc1O 917309557 BDNCNQBCJWVVDR-UHFFFAOYSA-N 431.414 4.055 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc4c3OCCCO4)SC2=S)cc1 917643190 UXIIQOXBSJIMMR-AQTBWJFISA-N 441.530 4.430 10 20 IICD CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 918129418 FPVOPRIUVMHNHT-WOJBJXKFSA-N 426.513 4.005 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccco1)Cc1cccs1 918219012 BNEKXYXXRUEQBF-UHFFFAOYSA-N 443.544 4.353 10 20 IICD O=C(Nc1ccc(SC(F)F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293936 JQZGVYQBGJDYSX-UHFFFAOYSA-N 432.448 4.467 10 20 IICD C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nc(C2CC2)no1 919064347 RWXHBSXHLOCLPR-IWQAVIMZSA-N 449.579 4.294 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(N2CCCCC2)c1 919907218 DYDFQOLQRFHCNX-UHFFFAOYSA-N 426.536 4.099 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCCC3)cc2)C1 919989269 OZKXUFAWRANTLY-HXUWFJFHSA-N 437.559 4.046 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 1321636195 SMDMEWPHUOUFPU-SFHVURJKSA-N 433.932 4.001 10 20 IICD Cc1cc(C)n(-c2ccc(CNC(=O)NCc3ccc(N4CCC(C)CC4)cc3)cn2)n1 303375674 LFFBZWVIIAHASL-UHFFFAOYSA-N 432.572 4.120 10 20 IICD Cc1cccn2cc(COc3ccccc3C(=O)N3CCOc4cc(N(C)C)ccc43)nc12 475936820 FSVLTVIVEROEAW-UHFFFAOYSA-N 442.519 4.327 10 20 IICD CCN(C[C@H]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1)CC(F)(F)F 477239946 LOLBGAWFOIKTPG-GOSISDBHSA-N 439.522 4.251 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1csc(-c2c(F)cccc2F)n1 726191430 LBYPEBSDKRAWDH-UHFFFAOYSA-N 447.482 4.119 10 20 IICD O=C(COC(=O)c1ccc(C(F)F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 726665802 GNBIHBYCWCANGS-UHFFFAOYSA-N 435.382 4.195 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)CC2)cc1 726695451 FUCIDBDNYIBIER-HSZRJFAPSA-N 425.529 4.044 10 20 IICD Cc1ccc(CN(Cc2cc(=O)n3ccsc3n2)c2ccc3c(c2)OCCO3)s1 727150536 ULXXRRRLUYUCBV-UHFFFAOYSA-N 425.535 4.104 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc2c(c1)CC(=O)N2C 728402070 XOZIQLKJLLNZGP-SFHVURJKSA-N 446.551 4.338 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3sc4cc(C)ccc4c3Cl)CC2)cc1 729347589 NSHHDELAOXXRLN-UHFFFAOYSA-N 444.000 4.424 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F 731346976 FISVSSICEAAPSS-UHFFFAOYSA-N 431.511 4.456 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1 735759462 BYONZSPRPWNJHD-HXUWFJFHSA-N 438.355 4.004 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 736652586 BNXBDMOVBIXPAF-DBXWQHBBSA-N 443.538 4.353 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)sc2C)cc1 737381432 MEARBQCJLLICDZ-UHFFFAOYSA-N 449.529 4.416 10 20 IICD CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(N2CCOCC2)cc1 741729731 DJPLFRQFRJBSQO-UHFFFAOYSA-N 441.881 4.266 10 20 IICD COc1ccc(C)cc1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745351892 UBDAGWXYANSVOU-SFHVURJKSA-N 433.499 4.116 10 20 IICD O=C(NCc1cc(-c2ccccc2)on1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745801570 XVXBLJDSLDEWHJ-KRWDZBQOSA-N 442.466 4.411 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 745827179 DQKIOSMVNWJJIJ-QGZVFWFLSA-N 428.964 4.006 10 20 IICD C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](OC1CCOCC1)c1ccccc1 747402320 AMZISQDCGJVYKV-UQBPGWFLSA-N 437.584 4.194 10 20 IICD O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 747994458 KSLBWZOQWZEWPG-UHFFFAOYSA-N 443.459 4.340 10 20 IICD Cc1oc2c(CN3CCC(O[C@H]4CCOC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 748265836 LEHAIKOUYHBXPB-FQEVSTJZSA-N 435.520 4.244 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 750862132 UFBZEFPFTXGOBJ-OALUTQOASA-N 444.597 4.111 10 20 IICD CCn1c(SCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)nc2ccccc21 751308476 YHLKPDPISLYROO-UHFFFAOYSA-N 428.521 4.497 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 753373716 RADBRSWFULDMHO-VWLOTQADSA-N 444.620 4.464 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc2cc(Br)ccc2c1 753645957 ZVNHVIZXDTYRKS-CYBMUJFWSA-N 430.298 4.140 10 20 IICD C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc(Br)cc(Br)c1O 756590614 OKXRBIRXQJPYLV-GWNMQOMSSA-N 427.202 4.115 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cn(C)cc(Br)c3=O)c2C)c1 758671400 XRQZBEHOCYRBHH-UHFFFAOYSA-N 428.330 4.424 10 20 IICD C[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O 761093730 DAKIJRZRNTVDQJ-INIZCTEOSA-N 447.457 4.067 10 20 IICD C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761277546 IZYHZLACTVQARY-NSHDSACASA-N 447.278 4.274 10 20 IICD CN1CCc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2C1=O 761724825 XCXUHJQWWRWTAA-UHFFFAOYSA-N 432.524 4.208 10 20 IICD O=C(NCc1cccc(OCC(F)(F)F)c1)NCc1cccc(Br)c1O 764764157 YGBUBAPUTVAVDN-UHFFFAOYSA-N 433.224 4.095 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1c([N+](=O)[O-])cnn1C 766806889 QZEQUDJBWNZVEN-INIZCTEOSA-N 447.417 4.254 10 20 IICD Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cnc2c1Cl 776083474 RJTASNZHNXTERA-UHFFFAOYSA-N 446.366 4.330 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCCCSc1nccs1 776515246 DNMWFABAHPQKAK-HUUCEWRRSA-N 428.624 4.103 10 20 IICD O=C1/C(=C\c2cccc(Br)c2OC(F)F)SC(=S)N1Cc1ccon1 776727374 XGVLZAXBFLBMBJ-IZZDOVSWSA-N 447.282 4.440 10 20 IICD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1cccc(Br)c1O 777441616 CHRHSMSPBXQSRR-DFNIBXOVSA-N 429.358 4.422 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1ccc(Br)cc1 779073775 QJOXEPPIJQJTBT-QUCCMNQESA-N 445.357 4.067 10 20 IICD Cc1ccc(-c2ncccc2NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 782914963 RWOJJVATANRLPI-GOSISDBHSA-N 449.580 4.142 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 786077654 YHDKAVZMTVUQEA-IFMALSPDSA-N 444.959 4.067 10 20 IICD FC(F)(F)c1nnc(N2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)s1 786579754 VBZAINZQIXYKBX-UHFFFAOYSA-N 425.524 4.260 10 20 IICD O=C(CCc1cnc2ccccc2c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 791525533 QXTCEZBFOSPDDB-UHFFFAOYSA-N 443.469 4.339 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2)SC1=S 794685431 GQBPNMQCDBITCX-XSFVSMFZSA-N 438.574 4.315 10 20 IICD CC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc(Br)ccc1O 794826622 DCHZEMLHUSTAPE-ZBFHGGJFSA-N 442.151 4.185 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 795611296 QSQOATVMWWQATI-UHFFFAOYSA-N 447.450 4.381 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3C)C2)cc1 802172743 MLQJEFAQRNPSSL-FQEVSTJZSA-N 437.588 4.113 10 20 IICD CC(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802661767 ALDDVSYPXIOKSJ-UHFFFAOYSA-N 425.602 4.059 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)cc1 810316396 MXVMWQSTUHXZLM-UHFFFAOYSA-N 445.445 4.254 10 20 IICD C[C@@H](NC(=O)C1(Cc2ccccc2Br)CC1)c1ccc(N2CCOCC2)cc1 814114117 WMZYQEIYSYXZQL-QGZVFWFLSA-N 443.385 4.486 10 20 IICD CCOC(=O)CCCNC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814771155 LWVHXBKALJJVFU-MHWRWJLKSA-N 448.591 4.064 10 20 IICD CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 820005781 CFHGSHDBGNWEMA-UHFFFAOYSA-N 427.508 4.062 10 20 IICD CCCCN(C)S(=O)(=O)c1ccc(NCc2c(O)cccc2Br)cc1 863990036 GYKPLINAOUMJDK-UHFFFAOYSA-N 427.364 4.187 10 20 IICD Cc1cc(C)n(CCCNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 913168202 MJNKLWKKIINLLX-UHFFFAOYSA-N 429.362 4.490 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)C2CC2)cc1 914439717 OMNZLZGUIWUIQJ-GDNBJRDFSA-N 431.580 4.196 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(I)o1 914506993 WSVWZCCRZJXUKX-ZRDIBKRKSA-N 438.309 4.401 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCc1cc(F)cc(F)c1 917191706 JUXFCXCWTFKWCH-UHFFFAOYSA-N 445.491 4.028 10 20 IICD COC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCN(C(=O)OC(C)(C)C)CC1 917954152 IAGLJWYYJXHOFE-UHFFFAOYSA-N 445.604 4.051 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 918140090 IJGGNKYTJRCLOE-HUUCEWRRSA-N 441.547 4.161 10 20 IICD Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919968334 DWKZXSTZDXOIHF-UHFFFAOYSA-N 427.595 4.319 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3SC(F)(F)F)cc2F)C[C@@H](C)O1 920281673 BZHYZWZFVOOJRM-BETUJISGSA-N 443.466 4.376 10 20 IICD COC(=O)CCCc1nnc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)s1 1318651451 QJYATTJXQCOKRG-UHFFFAOYSA-N 432.933 4.347 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1Br 1321827265 CEKRTUDFHMDOCC-UHFFFAOYSA-N 440.341 4.228 10 20 IICD CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1792065498 CQGWFBNHJKTQIS-RPYULREYSA-N 436.508 4.307 10 20 IICD COc1cc(OC)c2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)[nH]c2c1OC 32807660 YTPQNASUKSXSQN-UHFFFAOYSA-N 437.540 4.456 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cncc5ccccc45)CC3)ccc21 507902803 PXQIRCZMVUJCEQ-UHFFFAOYSA-N 442.563 4.415 10 20 IICD Cc1cc(NC(=O)C2=S=C(NC(=O)Nc3ccccc3)C=C2)ccc1-c1ccncc1 561101414 KHPQCRYNZQDESG-UHFFFAOYSA-N 428.517 4.423 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)cc1 726628506 YOLLLNFECVTJJL-MFOYZWKCSA-N 440.937 4.030 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 727249538 AFHIMCWZCLYINO-UHFFFAOYSA-N 432.907 4.252 10 20 IICD CNC(=O)CCOc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 729582080 WOIGTZSMOCHWOG-UHFFFAOYSA-N 438.572 4.292 10 20 IICD CCc1nc(COc2ccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)no1 734425689 YGDPTTFESNQTFR-UHFFFAOYSA-N 434.540 4.474 10 20 IICD O=C(CSc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2)C1)N1CCCC1 735453687 IBYXYAUNMVRDIO-OAQYLSRUSA-N 426.607 4.331 10 20 IICD O=C(Nc1ccccc1)c1ccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 737410769 MPCSIEBTTHOMLL-IBGZPJMESA-N 437.931 4.164 10 20 IICD Cc1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 742749645 JAZOAMUUSOFAHE-JOCHJYFZSA-N 425.573 4.294 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cnc(C3CC3)s2)NC(=O)OC(C)(C)C)cc1 742751126 RSHOPTRIBKKTMQ-KRWDZBQOSA-N 430.574 4.082 10 20 IICD CN(C)c1ccc(CN(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)C2CC2)cc1 745869359 OGYXLNUZJONQAH-UHFFFAOYSA-N 435.616 4.162 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC=C(c2ccc(O)cc2)CC1 745905970 UAFJSBUWHWVOCG-IBGZPJMESA-N 443.494 4.461 10 20 IICD Cc1cc(C(=O)NC2CCN(CC(F)F)CC2)c(C)n1-c1cccc(Br)c1 747201715 FAPGQTPJGAEXKV-UHFFFAOYSA-N 440.332 4.316 10 20 IICD O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N(Cc1ccccc1O)C1CCCCC1 747546817 QKUOLHHGOSRZJJ-UHFFFAOYSA-N 443.569 4.200 10 20 IICD CN(Cc1ccccc1O)C(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 748027978 VHQKGJCRQXSROP-CQSZACIVSA-N 437.281 4.068 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)c2C)c1 749341975 LHZJRGMCPXHIGC-UHFFFAOYSA-N 430.508 4.015 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1 752727513 XGVNMLCKBZQMCI-UHFFFAOYSA-N 445.928 4.367 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1F 753738950 WDRPQJXMJJZHJF-UHFFFAOYSA-N 429.879 4.034 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 761746626 WYEGLZPRRAZHQF-UHFFFAOYSA-N 439.855 4.478 10 20 IICD C[C@@H](N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764816086 SRDCLCRSQUVOOE-OPAMFIHVSA-N 428.939 4.489 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccccc1Sc1ccc(Br)cn1 768917203 DSTWICMAHJNRTJ-UHFFFAOYSA-N 431.311 4.337 10 20 IICD CCOc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c(O)c1 769402941 FFALAPZQBGMNBC-UHFFFAOYSA-N 425.916 4.480 10 20 IICD C[C@H](Cc1ccc(O)cc1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769440341 JYALFXBQCIAVRL-VVTMIQRTSA-N 446.619 4.183 10 20 IICD CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1 769516000 HHKIXEIAQLLDLB-HNNXBMFYSA-N 432.537 4.246 10 20 IICD CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 769926742 ROGNIPVFOXODAI-QFIPXVFZSA-N 434.939 4.160 10 20 IICD COc1ccc(N2CCN(C(=O)NCC3(CCOCc4ccccc4)CC3)CC2)cc1F 770491448 UVHJCUSKWPHOML-UHFFFAOYSA-N 441.547 4.053 10 20 IICD CN1CCN(c2ccc(CNc3cccc(C[S@](=O)Cc4ccccc4)c3)cc2)CC1 771853064 BHCOLGMWRZSHBN-WJOKGBTCSA-N 433.621 4.499 10 20 IICD CC(C)(C)OC(=O)NCc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 771861278 OQOQUOHEPKPYSI-UHFFFAOYSA-N 445.903 4.039 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc1 772166466 RQSXYLRGXQXVPI-UHFFFAOYSA-N 448.548 4.428 10 20 IICD C[C@H](NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1)c1ccc(N2CCOCC2)cc1 773246186 PBTLZRMDGSXCPW-FQEVSTJZSA-N 436.600 4.239 10 20 IICD Cc1cc(C(=O)CN2CCc3nnc(O)cc3C2)c(C)n1-c1cc(Cl)cc(Cl)c1 775776971 KITZLTJQJBYBKU-UHFFFAOYSA-N 431.323 4.138 10 20 IICD COCCN1C(=O)CCc2cc(N[C@@H](C)c3cc(Br)c(F)cc3O)ccc21 779082994 GUKWIGZPTNCHHS-LBPRGKRZSA-N 437.309 4.393 10 20 IICD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784059472 LMOGVPOFYAVREI-KRWDZBQOSA-N 436.556 4.102 10 20 IICD C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CN(C(=O)OC(C)(C)C)C1 788611601 KOEMUZMLQGDXAV-RDJZCZTQSA-N 425.520 4.102 10 20 IICD CCc1c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1-c1ccccc1C 792488465 OSJRGGGYGKTJBO-UHFFFAOYSA-N 437.519 4.245 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)ccc1C(F)(F)F 793578002 OMQWDUYXTDCKOC-GFCCVEGCSA-N 430.373 4.411 10 20 IICD COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 797624317 MJYZWFZBAMFGDX-VIFPVBQESA-N 429.698 4.275 10 20 IICD C[C@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc2Cl)C1 800148904 SOWXQRUXLIWZTH-HNNXBMFYSA-N 437.949 4.104 10 20 IICD CCC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(C(F)(F)F)c1 803663424 OWELRGBEBSOOLM-GOSISDBHSA-N 439.453 4.184 10 20 IICD CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(Cl)c1 803700226 HECSLBSQAAQAOK-UHFFFAOYSA-N 440.927 4.261 10 20 IICD CC(=O)c1ccc(NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(S(N)(=O)=O)c1 804691148 PVFLADKNLOQCOT-AWEZNQCLSA-N 435.977 4.038 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1F)c1ccc(N(C)C)cc1 807679321 QEMMSJXTHAEZEI-LJQANCHMSA-N 433.527 4.298 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 808526800 TYCAYVHIHOKNJK-UHFFFAOYSA-N 435.958 4.356 10 20 IICD Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812393992 MOUWNYQRTMWTSO-AZUAARDMSA-N 437.613 4.331 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C2CCC2)c1 812987128 HBGLBRLUMCTIPE-UHFFFAOYSA-N 431.330 4.409 10 20 IICD COc1cc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC 813533310 UIVVIMFDZQMCIV-UHFFFAOYSA-N 427.545 4.044 10 20 IICD C[C@@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1O 813884596 GSHQSNVVHKFAPW-OAHLLOKOSA-N 427.482 4.415 10 20 IICD C[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1O 815593653 SUHZQGUJDBNNCG-HNNXBMFYSA-N 442.503 4.056 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(c3ccccc3)CCC1)c2[N+](=O)[O-] 823802327 ZIOOODKBASPWSE-UHFFFAOYSA-N 426.428 4.179 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C)cc1 913072065 AFFJJZCJVMMHIR-UHFFFAOYSA-N 439.902 4.490 10 20 IICD COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(OC)c1OC 914455171 MYVXAFUEKALMPP-UHFFFAOYSA-N 438.524 4.143 10 20 IICD Cc1ccccc1CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1 914487044 FAKDPHYXNPXDDQ-UHFFFAOYSA-N 440.455 4.483 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 915260411 JCNIIGJBDLGKGD-UHFFFAOYSA-N 425.529 4.312 10 20 IICD CC[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917020616 IMROAYSNGWRZML-XGHQBKJUSA-N 445.604 4.126 10 20 IICD CN(c1ccccc1)c1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917394241 CKSQHRGWDLYGEF-QHCPKHFHSA-N 428.580 4.446 10 20 IICD CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 917998164 DVKHDISOMDRVML-XMMPIXPASA-N 437.584 4.411 10 20 IICD Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1cccc(Br)c1 918005324 WSEHYCHJRBXSNB-UHFFFAOYSA-N 442.361 4.105 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(F)cccc1F 918102101 RAEBVIBDFKMAAN-CYBMUJFWSA-N 443.416 4.381 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3c3ccccc3)cc2)C1 918122928 NUUSMPZSRFWQHP-LADGPHEKSA-N 434.584 4.215 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC(c1ccccc1)c1ccccc1 920867909 XHLQVBCVCZQIAA-FGZHOGPDSA-N 443.591 4.468 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920871016 JJEHGBJXKDGMDZ-XMSQKQJNSA-N 439.556 4.148 10 20 IICD CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740645 SVYJDLDVRGHEKZ-LJQANCHMSA-N 436.980 4.421 10 20 IICD CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832512565 JRJGNIUTRGGNTN-GHOSXJJBSA-N 434.964 4.197 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)c2cccs2)cc1 98074240 NVBJKFIQLLLNOO-UHFFFAOYSA-N 437.565 4.176 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476692033 QKLMMRAGTZFGMF-UHFFFAOYSA-N 441.890 4.234 10 20 IICD O=C1/C(=C\c2ccccc2OCc2ccncc2)SC(=S)N1CCc1ccccn1 726197283 PDXOKJMGEWOIBU-RCCKNPSSSA-N 433.558 4.500 10 20 IICD CCOC(=O)c1ccc(NC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726494578 WWZGDGKHXQCRJG-UHFFFAOYSA-N 449.523 4.420 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O 727418721 KWICMGYKTVWUCS-JOCHJYFZSA-N 447.004 4.248 10 20 IICD COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cn1 728792801 DHPFWKIXSZDZMS-UHFFFAOYSA-N 433.537 4.362 10 20 IICD CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(N3CCCCC3)c2)c1 728816147 GOMFSEROIUABFY-UHFFFAOYSA-N 437.359 4.095 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 729063301 IQODRODGGZZBOV-MRXNPFEDSA-N 435.480 4.021 10 20 IICD CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 729179281 ZLCUOHDVGRZBCA-UHFFFAOYSA-N 448.611 4.343 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCN(C(=O)CC4CCCCC4)CC3)cc2)CC1 731120986 JMJRHJOMBOVZJQ-UHFFFAOYSA-N 440.632 4.247 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1-c1ccc2ncccc2c1 731344713 DLDVSVLLTQFNKC-UHFFFAOYSA-N 440.551 4.290 10 20 IICD Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCCSc3nccs3)c2)c1 733972473 RQVGGJSZCRCLCC-UHFFFAOYSA-N 447.607 4.165 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCc1ccc(O)cc1 736219945 FLQHJLZCXRYECP-JXAWBTAJSA-N 446.619 4.184 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCS[C@H](C)[C@@H]2c2ccccc2)c1 738256231 VTJYZNBPTHWCLF-NTKDMRAZSA-N 440.609 4.106 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 740801271 UAHBIQZWWXKPRZ-UHFFFAOYSA-N 447.576 4.487 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-n3cncn3)cc2C)cc1 742073257 WVMSABNTWLVVRE-UHFFFAOYSA-N 441.535 4.497 10 20 IICD COc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)c1 742753883 MJWVXQCQJMXCSL-OAQYLSRUSA-N 427.545 4.065 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 743177110 FGTZYNCLSQEJRQ-UHFFFAOYSA-N 444.601 4.493 10 20 IICD CC(=O)N[C@@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 743428895 RFDXXKHEJCRMFJ-NRFANRHFSA-N 428.435 4.060 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 746784195 UJYXVVRILZXLQP-UHFFFAOYSA-N 436.581 4.480 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OC4CCCCC4)CC3)cc2F)C[C@@H](C)O1 747856080 GFOKOROCKYKXRM-KDURUIRLSA-N 447.595 4.463 10 20 IICD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 751306083 PSPVGCQUXPGAPC-HNNXBMFYSA-N 449.511 4.234 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc4c(c3)NC(=O)C4)c2C)c1 752048581 PBDHVHLTHWBABC-UHFFFAOYSA-N 448.544 4.279 10 20 IICD Cc1cccc([C@@H]2CCN(C(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)C2)c1 753204772 ALBBTRJFWXMSBO-QGZVFWFLSA-N 442.562 4.193 10 20 IICD COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 753919660 ZOPHDIMOEKESRQ-UHFFFAOYSA-N 432.401 4.009 10 20 IICD CC[C@H](C)c1nc([C@H](C)NCc2cc(Br)cc(Br)c2O)n[nH]1 754155541 XTHHRJPXUAJPLZ-IUCAKERBSA-N 432.160 4.400 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 759927483 IAFZMBXYVMHMBH-NHCUHLMSSA-N 442.541 4.302 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 762473470 LZCNKODVCJRLNO-UHFFFAOYSA-N 428.304 4.086 10 20 IICD C[C@@H](N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1 764775306 JQWAZOWQDNGZLB-ZHRRBRCNSA-N 428.939 4.489 10 20 IICD Cc1cccc([C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccn2)c1 766265174 VAFVMZMGVXGHJD-VWLOTQADSA-N 430.552 4.158 10 20 IICD COc1ccc(N2CCC(NCc3ccc(OC)cc3OCc3cccnc3)CC2)cc1 767694623 VIRRMUBEZVQWRO-UHFFFAOYSA-N 433.552 4.436 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)cc1F 773288274 XDEHJECMQICICC-JOCHJYFZSA-N 427.499 4.133 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc4oc(C)c(C)c4c3)CC2)cc(OC)c1OC 775878401 CCMLBFFIJMJVIN-UHFFFAOYSA-N 439.512 4.430 10 20 IICD Cc1nnc(S[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1C(C)C 777587393 RWBGYNDEMXXSDT-ZDUSSCGKSA-N 434.521 4.062 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccc(COc2ccccc2Br)cc1 778925027 GGUZKLWAJBMSOH-UHFFFAOYSA-N 428.282 4.369 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1 784454201 NVUPHOYDFVCRGW-UHFFFAOYSA-N 439.535 4.496 10 20 IICD CCCc1ccc([C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2cccs2)cc1 785439817 WESCQGUFPICAHG-HSZRJFAPSA-N 435.593 4.289 10 20 IICD Cc1cc(C(=O)CN2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccc(OC(F)F)cc1 790361592 XZBOIQGBEMYZIT-QGZVFWFLSA-N 448.510 4.148 10 20 IICD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 795397394 VKECSGRQBZWPQM-UHFFFAOYSA-N 444.583 4.330 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C 798248871 PSAMLPCVESMLKP-UHFFFAOYSA-N 449.592 4.068 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H](OC)c2cnn(C)c2)sc(C)c1-c1ccc(C)cc1 798360203 RYMVHBFIFGFHET-IBGZPJMESA-N 427.526 4.268 10 20 IICD COc1ccccc1[C@@H](CO)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 799993248 FIHWHHGGQDAEPN-OXQOHEQNSA-N 431.964 4.118 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)ccc1N1CCNC1=O 800049750 VBCHLNMZIKOWOF-MRXNPFEDSA-N 440.975 4.344 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2cc(Cl)ccc21 804345659 BHZOMPAVRRAKJD-UHFFFAOYSA-N 434.926 4.111 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC12CCC2 813785871 SUZULNAPTBTMJV-IBGZPJMESA-N 433.568 4.074 10 20 IICD OC1CCN(c2ccc(CN[C@H]3CCc4sc(Br)cc43)cc2F)CC1 815565006 ZWQXSSYQPLHKII-INIZCTEOSA-N 425.367 4.388 10 20 IICD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3c(O)cccc3Br)cc2)C1 863989139 LCJAMLIDXUDSEE-CQSZACIVSA-N 439.375 4.187 10 20 IICD COc1ccccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914084046 NQYUGEOQRGFQIP-ATVHPVEESA-N 432.592 4.055 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(CN2CCCC2)cc1 916456964 ZRADUHFGHFAVFG-UHFFFAOYSA-N 447.501 4.068 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2ccccc2)on1 916457414 BQIFTRDLYPTFAM-UHFFFAOYSA-N 431.414 4.127 10 20 IICD CN(Cc1ccccc1O)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 917307285 IOWCGRGXYDTHIC-UHFFFAOYSA-N 437.418 4.194 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 918052397 HIPFWBBTMFYZNV-UHFFFAOYSA-N 436.600 4.216 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)c(C)n1-c1ccccc1 919659034 FKXJKTSYQSNAMQ-UHFFFAOYSA-N 428.492 4.047 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)CC1 1322591346 OZEOTPNDRMVMEI-HSZRJFAPSA-N 434.584 4.027 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 1324627005 MNIOWNMSSCUMIU-UHFFFAOYSA-N 438.509 4.079 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3cccs3)C2)cc1 1843065309 AZTPVVQZTNJPRV-UHFFFAOYSA-N 433.577 4.215 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2ccccc2F)C3)cc1 1845398284 VTHBPADUTLZSEO-UHFFFAOYSA-N 445.538 4.293 10 20 IICD COc1ccc(N2CCC(Nc3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)cc1 301189522 VKMVXWHFRIPQLP-UHFFFAOYSA-N 428.964 4.451 10 20 IICD CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCc2ccccc2C1 303593586 SUHSDFZSRGLPOT-HXUWFJFHSA-N 447.501 4.241 10 20 IICD Cc1cc(C(=O)COC(=O)c2csc(C(C)C)n2)c(C)n1-c1ccc2c(c1)OCCO2 726687714 IGHBVIAMJHSHGE-UHFFFAOYSA-N 440.521 4.485 10 20 IICD Cc1ccc(-c2nc(CCNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)co2)cc1 726712248 PXGXLOTVPNUGGE-QFIPXVFZSA-N 435.524 4.289 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1F 731363881 CNUSECAIBCHRKP-UHFFFAOYSA-N 427.520 4.182 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 734406243 SFTRXTXCFIFZRI-SANMLTNESA-N 431.580 4.214 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 743142612 XTUZNAMSNOHEIM-UHFFFAOYSA-N 446.551 4.328 10 20 IICD CCN(Cc1cc(Br)ccc1O)C[C@H](O)c1cccc(Br)c1 743871066 OTXHNQZFJDBWOR-KRWDZBQOSA-N 429.152 4.473 10 20 IICD Cc1ccc([C@@H](NC(=O)NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)c(C)c1 745790188 VJUJZGAMABMVBC-QHCPKHFHSA-N 438.549 4.001 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C[C@@H]4C=CS(=O)(=O)C4)n3)c2C)cc1 746455482 PIXBTFDCPZEWEU-KRWDZBQOSA-N 441.578 4.413 10 20 IICD COCCN(Cc1ccc(OC)c(OC)c1Br)c1ccc(OC)c(OC)c1 746475452 TYMRFCLEROHTOD-UHFFFAOYSA-N 440.334 4.137 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1Br 754088595 RTCTTYOZIUTOMT-PWSUYJOCSA-N 437.250 4.257 10 20 IICD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 756924825 SBOFLRVWJWSSND-GOSISDBHSA-N 429.536 4.147 10 20 IICD CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 760167808 LEYODRPBLPAQCU-BZUAXINKSA-N 432.458 4.214 10 20 IICD C[C@H](NC(=O)CCCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 760400454 OHBHLBOUYLCFDK-KRWDZBQOSA-N 431.374 4.486 10 20 IICD COc1cc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc(OC)c1OC 761219303 MVELEZNSXOTEJR-UHFFFAOYSA-N 425.573 4.025 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 761750315 OARXUZROAKXKKF-UHFFFAOYSA-N 449.551 4.353 10 20 IICD C[C@H](N[C@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817305 XZQMGDDPFJETOB-KSFYIVLOSA-N 428.939 4.489 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Br)ccc1F 765256497 UILKULQXEHIGTA-ZBFHGGJFSA-N 434.353 4.141 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ccc(NC(=O)NC4CC4)cc3)cc2F)CC1 765851361 DJNXEOFOHPZJGM-GOSISDBHSA-N 439.579 4.102 10 20 IICD CSCc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 767693473 XGYPKZBNZXYGRK-UHFFFAOYSA-N 427.526 4.007 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1CSc1nc[nH]n1 769289286 CIJNTNUSGLRDQC-UHFFFAOYSA-N 447.358 4.227 10 20 IICD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773847081 NOUDQVRPIDUWFI-SFHVURJKSA-N 447.583 4.360 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)CC2)cc1 774832612 JIEKYBQVUODUOW-UHFFFAOYSA-N 438.959 4.498 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1Br 776025262 RDXABFMTYYHQGU-UHFFFAOYSA-N 434.334 4.388 10 20 IICD COc1ccc(N2CCC(NC[C@@](O)(c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 777121501 DQDOKIHGXYJKHC-HXUWFJFHSA-N 428.882 4.357 10 20 IICD Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(=O)NCc1ccccc1O 784698828 NWXPDDCBRUKYAE-UHFFFAOYSA-N 435.480 4.371 10 20 IICD Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)c1 785295542 VREQFDDSHCHRDG-KRWDZBQOSA-N 434.492 4.193 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 789369675 IEVUWTGZBQLCTE-KRWDZBQOSA-N 442.629 4.347 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc2ccccc12 795814524 FTUOSRSQBYCFFZ-UHFFFAOYSA-N 438.521 4.450 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2coc3ccccc23)NC(=O)OC(C)(C)C)cc1 796729346 ONYYPXXCQOECIN-NRFANRHFSA-N 437.540 4.424 10 20 IICD Cc1nc(-c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)cs1 799651165 RNRUFHJYDVESEU-UHFFFAOYSA-N 425.529 4.149 10 20 IICD CC(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802673883 OWPDBFXARNHPMR-UHFFFAOYSA-N 437.563 4.137 10 20 IICD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 809556601 MHVAIXUVFFMRLB-IBGZPJMESA-N 435.593 4.090 10 20 IICD CN(C)c1ccc(C2(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)cc1 815258904 ZMYKEFHVTBLFGZ-UHFFFAOYSA-N 429.511 4.171 10 20 IICD CN(Cc1ccccc1Br)C(=O)CCNCc1cc(Cl)c(F)cc1O 816549645 USHKAKMZCZVODS-UHFFFAOYSA-N 429.717 4.086 10 20 IICD Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c(O)c1O 816820165 BHXXHBXWSJRMDQ-QFIPXVFZSA-N 431.536 4.108 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)C[C@@H](C)O1 916682041 QYXFHPLWPMVCDX-QZTJIDSGSA-N 436.512 4.228 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]1c1ccc(Br)cc1 917086934 OZPHXGMNFHMFPH-NRFANRHFSA-N 430.390 4.311 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([C@@H](C)NC(C)=O)s3)n2)cc1 918739451 AZMPSWBNUFDLBR-GFCCVEGCSA-N 435.596 4.432 10 20 IICD COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(C)C 920872693 WYYRHQVOCBDBQL-OALUTQOASA-N 441.572 4.440 10 20 IICD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1c(Cl)ccc2nonc12 1324856480 BUOABCUIBQUCLB-UHFFFAOYSA-N 434.839 4.044 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccn(C(C)C)n2)C3)cc1 1845398977 ZKPQCCWHVMODAQ-UHFFFAOYSA-N 445.567 4.002 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1 10732447 NHBPBVYZYYJYGZ-ZDUSSCGKSA-N 433.847 4.299 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccc(OC)c3)cc2F)CC1 303315015 PYHIZUOKOCCXLZ-HSZRJFAPSA-N 440.563 4.023 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)ccc21 473551119 PXVJYFMURHUSSQ-YVGXBJCXSA-N 426.582 4.475 10 20 IICD Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 726145190 RZXDGBXUFXEVTF-UHFFFAOYSA-N 445.441 4.435 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3NC(=O)c3ccsc3)CC2)cc1 726561362 QJFJDXYQBNZIRD-UHFFFAOYSA-N 435.549 4.408 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Br)cc1 726566552 SUEUTYVXFMJYFP-UHFFFAOYSA-N 425.273 4.449 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 727242110 QPTJTOCPEHKTHM-UHFFFAOYSA-N 446.525 4.415 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1 729535912 WLSIAVHDJUCAKR-KRWDZBQOSA-N 431.492 4.427 10 20 IICD COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1O 729858775 BYVMYXUDVFGJEY-GCJKJVERSA-N 436.533 4.181 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1 730284732 BGYQYBKJFIVFAI-OAHLLOKOSA-N 431.558 4.404 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCSc1nccs1 733972595 SZEABJJNZDKXGT-QGZVFWFLSA-N 433.599 4.104 10 20 IICD CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 735271669 SLLXZZAWXHWSQK-IBGZPJMESA-N 431.374 4.171 10 20 IICD C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 739949311 OYZBNRBCLVJYIU-ZDUSSCGKSA-N 448.894 4.235 10 20 IICD CCO[C@H](C)c1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 742799566 LTGPYCXTIBKUIT-KGLIPLIRSA-N 425.501 4.241 10 20 IICD COc1ccccc1O[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743692307 WNKBWBJNSYIKDR-SJORKVTESA-N 449.498 4.032 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(I)cc1Cl 743719669 NVUWVAWTXNBXFO-UHFFFAOYSA-N 441.696 4.459 10 20 IICD O=C(Nc1ccc(Br)c(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 743887562 LEBGSEMAMJCCAM-UHFFFAOYSA-N 447.260 4.054 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)ccc1F 747856116 RUAAHAXLWRUIPD-UHFFFAOYSA-N 444.868 4.329 10 20 IICD CCn1c(SCC(=O)NCc2ccccc2O)nnc1-c1ccc(Cl)cc1Cl 748349701 JNEBUDFJVUAVLN-UHFFFAOYSA-N 437.352 4.386 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)c2C)cc1 748761385 VWHVXOGMJXLTDP-UHFFFAOYSA-N 446.551 4.057 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CCCOc2ccccc21 749931868 OKTXDMDACQBRFI-HXUWFJFHSA-N 449.473 4.255 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 754548763 PVSRBIHEQOQKEP-UHFFFAOYSA-N 426.472 4.196 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 756608954 MNSYIGGDXHEJED-ZWKOTPCHSA-N 438.540 4.017 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1O 756660098 RZXPAXBSHIRUEE-AWEZNQCLSA-N 445.472 4.091 10 20 IICD FC(F)(F)c1cnc(OCCCNCc2ccc(N3CCOCC3)cc2)c(Cl)c1 756990875 UPLDWKFUSGINJA-UHFFFAOYSA-N 429.870 4.149 10 20 IICD C[C@@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)c(F)c1 765333494 VIKQVEQHVPWXNO-GDBMZVCRSA-N 443.346 4.060 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(N2CCOCC2)c1 765642279 AABANXRHUQPILB-SFHVURJKSA-N 431.527 4.444 10 20 IICD COc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1Cl 765942313 ZPUCQEXYYGMQJW-UHFFFAOYSA-N 439.890 4.418 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cnccn4)n3C)c2C)cc1C 768406512 HQRFMPIJKSPVED-UHFFFAOYSA-N 432.553 4.271 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3ccc(F)c(F)c31)c2[N+](=O)[O-] 770384708 MUWDZBYARFNLPU-UHFFFAOYSA-N 448.381 4.241 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(Oc2ccc(Cl)nn2)cc1 772017959 YMOKPGTWBUZAGS-UHFFFAOYSA-N 445.262 4.250 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1ccc(N(C)C)cc1 773855698 GQFVJCSGQCLTOF-QGZVFWFLSA-N 429.520 4.170 10 20 IICD COc1ccccc1NC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 775174763 AMQQSYMWEACCQG-UHFFFAOYSA-N 430.552 4.311 10 20 IICD COc1ccc(SC)c(OC)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 775664293 KFHBXJVBVFJUON-GASCZTMLSA-N 448.560 4.108 10 20 IICD CSc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1[N+](=O)[O-] 776836316 OWYLACVQSQBOFC-UHFFFAOYSA-N 437.468 4.317 10 20 IICD COc1ccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCCC2)cc1OC 776853211 YEJUQUJPNSTMNQ-IBGZPJMESA-N 438.568 4.230 10 20 IICD CCOc1cccc(CN2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c1O 779613653 PGCOPVOBBYGLFQ-QFIPXVFZSA-N 437.540 4.176 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)ccc1C(=O)N(C)C 783483187 OQMODSOKNPISRL-GOSISDBHSA-N 444.535 4.012 10 20 IICD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061166 MBLROZIASUFCOP-UHFFFAOYSA-N 436.556 4.020 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(OCC(C)C)c1 785193220 UGQHTKJYRSIXQW-UHFFFAOYSA-N 449.345 4.177 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 785432362 AZKCHYMPYYYWFV-DEOSSOPVSA-N 447.604 4.215 10 20 IICD CN(c1ccc(CNC(=O)N(CCO)Cc2cccnc2Cl)cc1)C1CCCCC1 792942178 ZLLOTKFBZIDIAE-UHFFFAOYSA-N 430.980 4.208 10 20 IICD COC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C 798043164 JMNATBMGIYSVBB-KRWDZBQOSA-N 446.507 4.488 10 20 IICD CN1Cc2cc(-c3csc(NS(=O)(=O)c4cccc(Cl)c4)n3)ccc2NC1=O 799187134 NIRSWZABHAJQJM-UHFFFAOYSA-N 434.930 4.242 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccn(C4CCN(C)CC4)n3)cc2Cl)C1 800566346 XZRSKXYHCGYAPJ-QGZVFWFLSA-N 445.011 4.361 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 800572056 UBWHDPLJRIIEMM-UHFFFAOYSA-N 441.425 4.267 10 20 IICD CC1(C)CC[C@@H](COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)O1 803273554 YEBYTWUYMQFCOI-JMRXEAOASA-N 425.597 4.230 10 20 IICD COc1ccc(O)c(CN[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 809713134 ZQJBQDMCQHQVKB-GOSISDBHSA-N 433.346 4.065 10 20 IICD CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812029357 BFCHLOZSKJYYPD-UHFFFAOYSA-N 444.539 4.345 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1 812941357 IHQPRINLRPSRFY-IBGZPJMESA-N 437.588 4.355 10 20 IICD O=C(NCCc1ccc(Cl)s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916630714 DAFPWEOMTAAECJ-UHFFFAOYSA-N 447.910 4.299 10 20 IICD COc1ccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Br 917383372 DEYAZPJMJQYYNB-UHFFFAOYSA-N 449.414 4.260 10 20 IICD Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708936 PDSGCACMQMPZJA-UHFFFAOYSA-N 443.519 4.087 10 20 IICD O=C(CCC1CCCCC1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 918071322 VDZYGHUVFKOBIW-UHFFFAOYSA-N 426.605 4.001 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3cccc4cccnc34)cc2F)C[C@H](C)O1 918199569 HXQNMAZGUSSXAQ-ROUUACIJSA-N 436.531 4.029 10 20 IICD O=C(N[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1)c1ccccc1 918617745 CKUYFALIOGDPFM-XMMPIXPASA-N 445.588 4.027 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c(C)n1-c1ccc(Cl)cc1 919521862 WDQHXAPKBVTASF-UHFFFAOYSA-N 438.871 4.125 10 20 IICD O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)NCc1ccc(N2CCOCC2)cc1 919789969 BGUPRSPWXDYUFN-UHFFFAOYSA-N 435.499 4.454 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C)cc3OCC(=O)N(C)C)c2C)cc1 919873814 GNLSKAWYNDXRHK-UHFFFAOYSA-N 435.524 4.130 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920872083 OTDOBUZFQXPCKY-GOSISDBHSA-N 425.529 4.363 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(O)nc4)cc3)cc2)CC1 1318333824 KPRJKCMYMKKANQ-UHFFFAOYSA-N 444.535 4.206 10 20 IICD Fc1cc(CNCc2ccc(OC(F)F)cc2OC(F)F)ccc1N1CCOCC1 1322602700 YKQXDKHVUSUPFY-UHFFFAOYSA-N 432.389 4.155 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(CN3CCN(C)CC3)c2)c1O 1338449800 VIJHJAPPRDYCLF-QGZVFWFLSA-N 432.406 4.061 10 20 IICD COc1ccc(N(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)Cc2cccs2)cc1 110630188 HQOGEEJPQCNUGE-FQEVSTJZSA-N 435.593 4.406 10 20 IICD COc1ccc(O)c(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 237283019 NLBBKUKNTQPMND-UHFFFAOYSA-N 430.464 4.452 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 728985041 VEXZXQMOFFMVRX-JYJNAYRXSA-N 427.501 4.282 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(I)cc2C)c1 729037600 ZQAFCZPYXROLLS-NSHDSACASA-N 426.254 4.197 10 20 IICD CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 730751118 VZEUSUXPMUPRPB-HXUWFJFHSA-N 448.567 4.235 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)ccc21 730840979 ZQSPQXMNMUTKJT-NRFANRHFSA-N 434.458 4.387 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccnc(OCC(F)(F)F)c3)cc2)CC1 731048322 JHRDMBDEDDABEW-UHFFFAOYSA-N 436.478 4.258 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1F 731364249 JFHBVMUVDYUUDO-UHFFFAOYSA-N 442.579 4.098 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C2CC2)cc1 739507637 LPRJUGDOWZDZGW-UHFFFAOYSA-N 429.446 4.157 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)cc1OCC1CC1 741096025 XSNWQOKEHLELME-UHFFFAOYSA-N 439.531 4.202 10 20 IICD COc1ccc(C(=O)CCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742801812 SQQGBSKOXKTROY-GOSISDBHSA-N 446.494 4.435 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 743073474 SUABKEFZZDQBDW-UHFFFAOYSA-N 445.585 4.401 10 20 IICD Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 743104769 LTHJXKMXWUUZEM-OAHLLOKOSA-N 443.454 4.437 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743151086 JYLIXBMBJYWOKV-INIZCTEOSA-N 443.454 4.437 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 751146637 JVSYIUODYDUZHJ-FQEVSTJZSA-N 430.552 4.451 10 20 IICD C[C@H]1CC[C@@H](C)N1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 757796081 PYDRXGMWBHGEEO-ZHGDCFNMSA-N 439.400 4.050 10 20 IICD O=C(Nc1cncc(Br)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 757912740 OKCDYEWMTPLZBF-CYBMUJFWSA-N 441.276 4.236 10 20 IICD COc1cc(F)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 758627784 WAOLRJKRWOSDDI-LBPRGKRZSA-N 427.398 4.365 10 20 IICD O=C(CCN1CCOCC1)Nc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1F 760443791 UHYMEXRCFWWJGK-UHFFFAOYSA-N 440.563 4.089 10 20 IICD CN1C(=O)N(CCCSc2nccs2)C(=O)[C@@H]1c1cccc(Br)c1 761301891 UTQYSFCEFIQNRJ-ZDUSSCGKSA-N 426.361 4.023 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 762669545 KMPVRPRAEVERIC-QDUSTFBWSA-N 435.927 4.247 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3cccc(OCCN(C)C)c3)cc2F)C[C@@H](C)O1 765124559 BKQLIYCXBNPAGZ-HSALFYBXSA-N 429.580 4.231 10 20 IICD O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1cccc(Br)c1O 765758386 VWJGQFWIKMAYMY-UHFFFAOYSA-N 442.285 4.136 10 20 IICD NS(=O)(=O)c1ccc(CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 767198482 HJSGBEAKAHMEPH-UHFFFAOYSA-N 441.500 4.095 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncc(-c2cccc(Br)c2)[nH]1 768208471 QUWCEVFIUOZWDW-UHFFFAOYSA-N 441.373 4.308 10 20 IICD COc1ccc(C(=O)N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)c(OC)c1 768922156 NAUDFOMKMDNIKI-UHFFFAOYSA-N 432.520 4.034 10 20 IICD C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 772777829 YAFOWXRVKPKRKY-OCKXMSAZSA-N 431.488 4.272 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 773183663 QDHJVXVFIRTGBW-IBGZPJMESA-N 447.461 4.451 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 779166606 LZFUTMPJUCHIOA-UHFFFAOYSA-N 448.520 4.402 10 20 IICD COc1ccccc1NC(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OC 779497870 HYUGIKPALNWCEF-XYOKQWHBSA-N 449.463 4.411 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(Oc2ncc(Br)cn2)c1 779533837 BQKKJIXFJXYCFN-FNORWQNLSA-N 428.242 4.095 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1Br 779936203 NBXJINWHRWBMAJ-JGVFFNPUSA-N 442.188 4.441 10 20 IICD COC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F 782895411 AIQJCMDMTMNPLY-UHFFFAOYSA-N 443.475 4.010 10 20 IICD CC(C)c1ccc([C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2cccs2)cc1 785424092 LPZDXCJJRGLRND-QHCPKHFHSA-N 435.593 4.460 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1ccc(OCC)cc1 791249917 LKOKAGYCVGYJOZ-UHFFFAOYSA-N 426.557 4.407 10 20 IICD Cc1ccc(-n2ncc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2C(C)C)cc1 792210591 ZJTRUZNFBUNUGT-UHFFFAOYSA-N 445.567 4.159 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1 795858951 ZXODHBFKDZFSGB-NHCUHLMSSA-N 436.474 4.013 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccc(OC)nc4)ccc3C)CC2)cc1 801868911 MLQPECCKYPPSQR-UHFFFAOYSA-N 432.524 4.428 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1)C1CCCCC1 815430462 LUHHIMYFCGAGCT-OAQYLSRUSA-N 435.568 4.214 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccccc1F 914439009 DOPNXJATIOOMLS-LGMDPLHJSA-N 434.583 4.228 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 914754195 JBYBKXRXJOCLGQ-FQEVSTJZSA-N 434.367 4.323 10 20 IICD CCOc1cc2c(cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)O[C@H](C)C2 916672988 ANPPCBVQMFONPR-APWZRJJASA-N 426.513 4.327 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916681696 YSTWUTFKLWEPGV-UHFFFAOYSA-N 436.325 4.363 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 917503841 JZPCEFVXDCDBIW-UHFFFAOYSA-N 425.529 4.283 10 20 IICD Cc1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c(C)n1-c1ccccc1Br 917996132 MKSTZNPWJWUEAW-UHFFFAOYSA-N 441.329 4.277 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccn1 918374745 AFEDYEINUSJVCS-UHFFFAOYSA-N 441.329 4.010 10 20 IICD CCN(CC)C(=O)CCCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C 918576656 ZTLASTYJCPCXPP-UHFFFAOYSA-N 434.378 4.235 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc(-c2ccccc2F)s1 920299813 MDEICTCPEAQGPH-UHFFFAOYSA-N 425.529 4.088 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)c(C)n1-c1cccc(Br)c1 1323630947 NWKSLBWNERTSSW-UHFFFAOYSA-N 440.341 4.228 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F 1337827035 UCANLYBRMGTWBV-NRFANRHFSA-N 437.467 4.117 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Nc2cccc(F)c2)s1 19241210 LSXPZCUEYDPPEC-UHFFFAOYSA-N 431.562 4.238 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)cc1 108427554 AMBFBCIOGJZEGQ-UHFFFAOYSA-N 437.565 4.392 10 20 IICD Cc1cc(C(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1cccc(Br)c1 110412461 GJHBUUWAGLNSQR-UHFFFAOYSA-N 433.346 4.082 10 20 IICD CC[C@H](C)[C@@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 303032974 UKSDIOURTZMUKF-WVJJYJRESA-N 441.416 4.201 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 303047599 URKCEYUTRBUEBT-OYRHEFFESA-N 445.563 4.274 10 20 IICD Cc1cc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)ccc1NC(=O)C1=S=CC=C1 545672839 LGLJQRUZXACBFM-UHFFFAOYSA-N 439.500 4.385 10 20 IICD CCN(C(=O)c1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1Cl)C(C)C 578720635 KFCUYEOPHBABOE-UHFFFAOYSA-N 438.962 4.016 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1F 726604194 YCXHOZDABMCCOE-UHFFFAOYSA-N 434.867 4.028 10 20 IICD O=C(NCc1coc(-c2cccs2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610733 KNJUGISABJHZSG-UHFFFAOYSA-N 448.495 4.473 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1-c1ccccc1 727248906 MNNOBQJEJBJHRR-UHFFFAOYSA-N 429.523 4.179 10 20 IICD CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 729054830 MUAPZZYDJIGYJL-FQEVSTJZSA-N 431.964 4.039 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(N2CCCC2)c(Cl)c1 730904434 ULTZSFWSQULTAT-UHFFFAOYSA-N 446.954 4.362 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1F 731363547 DYABRWGJQDJYSP-UHFFFAOYSA-N 449.530 4.319 10 20 IICD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1C 731628341 JAUSBHURNVYKOY-OAQYLSRUSA-N 434.565 4.260 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)NCc1ccc(OC(F)(F)F)cc1 732202239 JYNNCZJCODHFHN-UHFFFAOYSA-N 434.414 4.202 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2cc(Br)ccc2Br)c1 734060334 VQVCJPLHRMFLAR-UHFFFAOYSA-N 430.096 4.248 10 20 IICD Cc1ccc(C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 734525705 QFQDVIPBPGKSOY-RUZDIDTESA-N 430.552 4.010 10 20 IICD COc1cc(/C=C2/SC(=S)N(C(C3CC3)C3CC3)C2=O)cc(OC)c1OC(C)=O 734880308 MBWQSTPSPLRFOS-LICLKQGHSA-N 433.551 4.019 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(CCc1ccc(Cl)cc1)CC1CC1 735096336 WTAZPZCREXSZNR-UHFFFAOYSA-N 427.976 4.341 10 20 IICD C[C@@H](Oc1ccccc1Br)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 735519192 PGRQTNZVLQZFSY-WBVHZDCISA-N 434.330 4.130 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 740483536 BWHXMMLZEFVGSE-JOCHJYFZSA-N 440.975 4.277 10 20 IICD CS(=O)(=O)Cc1nc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cs1 741850104 MZJIQGPXEQPIII-QGZVFWFLSA-N 449.623 4.023 10 20 IICD Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C2CCCCC2)n1 742801038 WYMCMPXRIWZJLY-KRWDZBQOSA-N 432.515 4.468 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)n2)cc1 743045677 SVMYYCHSOUBGDH-UHFFFAOYSA-N 440.550 4.368 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 745783734 XSCHTTLWTYQDOG-IBGZPJMESA-N 434.378 4.298 10 20 IICD Cc1sc(NS(=O)(=O)c2cn(CC(C)C)cn2)nc1-c1ccc(OC(F)F)cc1 748635205 CUVVRYOERYVQRC-UHFFFAOYSA-N 442.513 4.373 10 20 IICD Cc1cc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c(C)n1-c1ccccn1 749101686 LEHVBZZFSMZXCB-IBGZPJMESA-N 449.555 4.356 10 20 IICD O=C(Nc1ccc(N2CCCC2)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751059673 CHLLEHUYLXGTIK-UHFFFAOYSA-N 443.550 4.107 10 20 IICD O=C(CCSCc1nc(O)c2ccccc2n1)N(Cc1ccco1)Cc1ccccc1O 752087548 VGZWFHDLEVFLJH-UHFFFAOYSA-N 449.532 4.486 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2ccc(Cl)c(Cl)c2O)N2CCOCC2)cc1 756353076 XJZIOXZGWHJWQZ-AUUYWEPGSA-N 425.356 4.432 10 20 IICD COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(Br)cc(Br)c1O 756710705 FSLGABBPIHSVPW-BONVTDFDSA-N 445.151 4.310 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)CC2)cc1 758448205 GOCPCSJRJPIDRO-ISKFKSNPSA-N 441.547 4.365 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1cccc(OCc2ccccc2)c1 760745422 WEOHUNFEHFEYGH-SANMLTNESA-N 445.563 4.399 10 20 IICD COc1ccccc1[C@H](c1ccccn1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761648562 ODXZRIGCMSFTOJ-JOCHJYFZSA-N 437.883 4.003 10 20 IICD Cc1c([C@@H](C)NC(=O)NCc2cccc(Br)c2O)cnn1-c1ccc(F)cc1 765443195 HOLDCVHGYBUGPV-GFCCVEGCSA-N 447.308 4.348 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(Br)c2O)c1 765735227 FAXLHNITQTXQGY-UHFFFAOYSA-N 425.710 4.333 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(N2CCOCC2)c(F)c1 765923193 CGUHCWUAFROLTB-FUHWJXTLSA-N 448.380 4.354 10 20 IICD CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)c(Cl)c1 765979421 SRKVNDKVWRTXIJ-FQEVSTJZSA-N 427.397 4.469 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NCc2cc(Br)ccc2O)c1 770563811 OPJBLNWOTWGQIE-UHFFFAOYSA-N 440.341 4.259 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 771619514 RFUHSCKUVDNHKG-UHFFFAOYSA-N 439.556 4.324 10 20 IICD CCc1nnc(O)c(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1CC 771656306 WUKZZYMYJCQIAV-UHFFFAOYSA-N 426.948 4.227 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 775187829 APJQEFCKYAAWLU-QHCPKHFHSA-N 435.955 4.236 10 20 IICD CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Br)ccc1O 775499788 WFONZLOECCMXLO-ACJLOTCBSA-N 441.391 4.207 10 20 IICD C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)c(Cl)c1O 775580257 IQIUALINCUFVCI-NSHDSACASA-N 433.332 4.229 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(OC(F)F)cc(OC(F)F)c3)CC2)cc1 775666098 SKWCPSDZBJQZFC-UHFFFAOYSA-N 442.409 4.251 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1[N+](=O)[O-] 777665906 BJMROWGYCAQVMA-UHFFFAOYSA-N 448.482 4.006 10 20 IICD CC(C)c1nc([C@@H]2COCCN2C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 780827236 JWKXVMKGRHTEHH-NRFANRHFSA-N 441.576 4.245 10 20 IICD CC(C)(C)Oc1c(F)cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1F 782684997 ROYXJNIBTZPVLZ-UHFFFAOYSA-N 437.462 4.440 10 20 IICD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 784475776 LHAPICNQNQOALS-DEOSSOPVSA-N 427.614 4.113 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCC4(CCCCC4)CC3)cc2)C1 786711823 IXZYCGJUWCDDDD-FQEVSTJZSA-N 426.605 4.081 10 20 IICD COc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)ccc1Cl 790146544 PVNUGKGLIMUCAY-UHFFFAOYSA-N 438.914 4.169 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc(-c2ccccc2)nc1 791246736 QXJIZTGMAWISDZ-UHFFFAOYSA-N 432.524 4.146 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C 792215605 PKSRQKBJAQYGQW-KRWDZBQOSA-N 425.577 4.186 10 20 IICD CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O 792314829 OURVNSZVTDIIJE-QGZVFWFLSA-N 431.533 4.343 10 20 IICD COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(Cl)c1F 792505081 SGADCLNTUAHLAP-HNNXBMFYSA-N 436.867 4.184 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)s1 797151948 WIUJZFFGKSLRAE-UTLUCORTSA-N 445.358 4.022 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(Br)c(F)c1 797737272 WEMSVVHTHFGASS-UHFFFAOYSA-N 431.645 4.066 10 20 IICD O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)SC(=S)N1C1CC1 814285052 NJMSSZAAKAZUJE-BJMVGYQFSA-N 435.162 4.281 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 819427129 IJTXOKYWBYMFEY-UHFFFAOYSA-N 428.554 4.043 10 20 IICD COCCNC(=O)c1ccc(Cl)c(NCc2cc(C)cc(Br)c2O)c1 864004272 MZUOJJFXDKXRNR-UHFFFAOYSA-N 427.726 4.105 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C2CC2)cc1 914439306 IDPCFRFUUPNHIQ-UHFFFAOYSA-N 449.576 4.358 10 20 IICD C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(N5CCC[C@H](C(N)=O)C5)cc4)c23)C1 917391131 MMJZVEPHMITYSJ-WBVHZDCISA-N 435.597 4.130 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)CC2)cc1 917822151 IEZLQTWDZICWMY-UHFFFAOYSA-N 447.510 4.439 10 20 IICD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 917858968 FSOBXNLUWSKYIO-UHFFFAOYSA-N 441.534 4.036 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cc2)C1 918672831 LZCFMIQFPFJQPE-AWEZNQCLSA-N 445.350 4.106 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC[C@@H]2CCCO2)c1 919911248 JTIYEZDAQQQHGA-QFIPXVFZSA-N 439.556 4.053 10 20 IICD CCOc1c(Cl)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OC 920472812 OSOSSYGDKVKNSU-LFIBNONCSA-N 426.991 4.043 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(S(=O)(=O)CC)c1 1318884185 KASLFKRVVZPPHR-UHFFFAOYSA-N 441.347 4.002 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12)c1cc(O)c(O)c(Cl)c1 1801100592 HRWXJKAMHHCLPK-MUJYYYPQSA-N 440.883 4.063 10 20 IICD CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)s1 1845501191 MGFISEGIVURZBP-UHFFFAOYSA-N 448.972 4.241 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 19354828 QCFZKLBGBYOUCW-UHFFFAOYSA-N 434.487 4.465 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 29071469 FWBFPJDQJYUXJF-SFHVURJKSA-N 437.521 4.189 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(Br)cc3)CC2)cc1 110467391 SAHJQUQDPYPGGK-OAHLLOKOSA-N 432.362 4.487 10 20 IICD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)n(-c2ccc(Cl)cc2)n1 518253473 MHHXHHNEPBCUPG-UHFFFAOYSA-N 436.924 4.303 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)c3cc(OC)c(OC)c(OC)c3)ccc21 607568650 PNFQAZJVUAWUKJ-UHFFFAOYSA-N 426.513 4.207 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2OC)cs1 727250303 HVGHGBCYYCFDKR-UHFFFAOYSA-N 438.914 4.060 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1C(F)(F)F 728122388 LHIQBXNVFSIABV-UHFFFAOYSA-N 425.426 4.375 10 20 IICD Cc1cnc([C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C2CC2)s1 741964088 GUEVTYZYMIVEPB-SFHVURJKSA-N 447.472 4.016 10 20 IICD O=C(Nc1cccc(-n2cccn2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743103036 PIWCZBNEWGKVHN-QGZVFWFLSA-N 427.455 4.264 10 20 IICD O=C(c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1)N1CCOCC1 743103431 UJLJXMAETPTMQX-UHFFFAOYSA-N 437.540 4.231 10 20 IICD COc1cc(Br)c(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1OC 743118342 IYEWNTAYJIZAAY-UHFFFAOYSA-N 435.318 4.372 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 745749431 MOEDNRZKFSWKPD-UHFFFAOYSA-N 430.552 4.317 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(-c4cc(C)ccc4C)c3C)CC2)cc1F 747363775 RGESRUMINJNODX-UHFFFAOYSA-N 437.519 4.299 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1 747460724 BNPTTWCPBHPMJY-UHFFFAOYSA-N 441.482 4.019 10 20 IICD Cc1cc(I)ccc1NC(=O)COc1ccc(N2CCCC2)cc1 749795863 KGCJOIVOXNYQCB-UHFFFAOYSA-N 436.293 4.217 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1C 750104314 FVIJCLMLVCRXIE-SFHVURJKSA-N 433.516 4.088 10 20 IICD C[C@H](N[C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1ccc(N2CCOCC2)cc1 751596721 OZRGNTQNSDPOIJ-RRPUWOKSSA-N 447.579 4.171 10 20 IICD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751935525 BJSJYABRIWGLDD-LBPRGKRZSA-N 445.928 4.162 10 20 IICD C[C@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(Br)cc1O 756547326 ZQAYHXUDOZEHHB-LSDHHAIUSA-N 436.369 4.457 10 20 IICD Cc1ccc([C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756618128 RHBYOWYYTCVCOX-QMHKHESXSA-N 440.521 4.453 10 20 IICD COCCC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 760697008 JWVGCIZQHGTREZ-SSZFMOIBSA-N 438.640 4.053 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(N2CCCC2=O)c(Cl)c1 765229552 ZPUKDNRBTFTMPZ-UHFFFAOYSA-N 438.709 4.257 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc2c(c1)oc1ccccc12 765927438 RSKKPCOQFUOPAK-UHFFFAOYSA-N 439.265 4.309 10 20 IICD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cc5c(cc4O)CCCC5)CC3)cc2NC1=O 768448439 CESGHOMPUOPEFJ-INIZCTEOSA-N 434.536 4.085 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3c(SC)cnn3-c3ccccc3)CC2)cc1 768993288 NTQKVJGVPSIYAZ-UHFFFAOYSA-N 437.569 4.347 10 20 IICD CCCCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 769581282 BDGBXUYNGFQFBX-UHFFFAOYSA-N 426.557 4.013 10 20 IICD COc1ccc(NC(=O)c2nnc(CN(Cc3ccc(N(C)C)cc3)C3CC3)s2)cc1 771790765 GMFRLVKNEFHRIC-UHFFFAOYSA-N 437.569 4.030 10 20 IICD Cc1ccc(CNC(=O)C2CCN(Cc3cc(Br)cc(C)c3O)CC2)cc1F 775652988 YNTVVPPYVNBCNM-UHFFFAOYSA-N 449.364 4.439 10 20 IICD CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H]1Oc1ccccc1 776532812 HDIPQHJHASBANS-QTJGBDASSA-N 436.508 4.322 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1ccc(N(C)C)cc1 782715041 FMDLNZNLIFQLED-CYBMUJFWSA-N 428.945 4.345 10 20 IICD CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 787507967 PXWFLKWPSUMDQV-CQSZACIVSA-N 448.488 4.058 10 20 IICD COc1ccc2nc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)sc2c1 788679051 VULUMRMSKHLOEI-PXNMLYILSA-N 428.516 4.439 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COc3ccccc3S(C)(=O)=O)c2C)c1 795252538 QFLYTSAHYCRDLY-UHFFFAOYSA-N 429.563 4.481 10 20 IICD OC1CCN(c2ccc(CN=c3cc[nH]c4c(Br)ccc(F)c34)cc2F)CC1 799930007 IWBKDEBMADYYPO-UHFFFAOYSA-N 448.311 4.271 10 20 IICD CNC(=O)c1ccc(CN(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 799993668 IZKURHNKFPWTBG-KRWDZBQOSA-N 442.991 4.278 10 20 IICD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800571276 HSMVMRYYRJUSNA-OAHLLOKOSA-N 440.979 4.042 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cc(F)ccc4Cl)n3)ccc2N1 800728212 GCIIIZIMGABODD-UHFFFAOYSA-N 437.905 4.288 10 20 IICD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 802569711 ZUQBKQJBVBVWCE-UHFFFAOYSA-N 444.579 4.423 10 20 IICD O=C(N[C@H](c1ccccc1)c1nccs1)C(=O)N(Cc1ccccc1O)C1CCCCC1 804008988 PSDFCLCHDQTXHO-JOCHJYFZSA-N 449.576 4.416 10 20 IICD CC(C)c1c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1-c1ccccc1 807513074 SDSYZODIOJRYHT-UHFFFAOYSA-N 447.322 4.263 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C 808501134 IBDXMSKHZFWNDX-HXUWFJFHSA-N 435.490 4.219 10 20 IICD CC[C@@H](NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1O 810255989 SIUIOQNAYVTQIT-UTKZUKDTSA-N 427.463 4.463 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 863988358 MLOLGDSHJZNBKJ-UHFFFAOYSA-N 446.573 4.228 10 20 IICD Cc1cc(-c2nc(C3(C(=O)OC(C)(C)C)CCC3)no2)ccc1NC(=O)C1=S=CC=C1 904825804 DULKWAHSQZGUDK-UHFFFAOYSA-N 439.537 4.025 10 20 IICD C[C@@H](Oc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1)c1ccccc1 916138330 GDVYBILZFJLQEC-HXUWFJFHSA-N 431.536 4.330 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OCC 916669901 UAGUYYXWEXQLSL-UHFFFAOYSA-N 427.545 4.014 10 20 IICD COc1ccc2oc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c(C)c2c1 917708756 FXNHZZWOZDYEAL-HUUCEWRRSA-N 426.488 4.433 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918219690 NDPJIOYEUNRUFR-ROUUACIJSA-N 429.536 4.180 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)c(C)n1-c1ccccc1 918250165 MEZCJELDHILCQW-UHFFFAOYSA-N 445.441 4.132 10 20 IICD COc1ccc(N2CCN(C(=O)c3csc(Cc4ccc(Cl)cc4)n3)CC2)cc1F 1116230457 WUULXXHFJVTCEL-UHFFFAOYSA-N 445.947 4.497 10 20 IICD Cc1ccn(-c2cccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)n1 1318168931 YHQASJJEJWDFJF-UHFFFAOYSA-N 426.467 4.181 10 20 IICD COc1cccc2cc(CNC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)oc12 1318280215 GTPJUGVUHAYJMA-HZPDHXFCSA-N 441.503 4.194 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(I)c2C)c1 1320223917 LQEYRHWANRGFQS-NSHDSACASA-N 426.254 4.197 10 20 IICD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c(F)c1 1788427682 CTMXGFOHJBRDTR-UHFFFAOYSA-N 435.455 4.002 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)SC1=S 17699393 NMNALAUXZXDQGE-LDADJPATSA-N 431.510 4.471 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)c2C)cc1 24645691 BVQUISLKCWFMMY-UHFFFAOYSA-N 425.916 4.467 10 20 IICD Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(N2CCOCC2)=NC1=O 26763734 BRGLGAKVIXCXKR-QNGOZBTKSA-N 430.533 4.150 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](c3ccccc3OC)c3nccn3C)c2C)cc1 57853976 LNSHAQCSZWKGRK-DEOSSOPVSA-N 444.535 4.364 10 20 IICD COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 108288406 LTJPWLYXVNKLIY-YESZJQIVSA-N 432.561 4.245 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)cc(Br)c1 540220913 DEJBDGXDBLAPTF-UHFFFAOYSA-N 440.135 4.317 10 20 IICD CO[C@H](c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1)c1ccccc1Cl 547228115 LSVDSKUMXQWOFM-SFHVURJKSA-N 425.897 4.342 10 20 IICD CN(CC(C)(C)C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 726924302 PETMBNQTFXSPPI-NTEUORMPSA-N 441.416 4.155 10 20 IICD Cc1csc(CCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 727172910 OROLQIJBDDOGPG-CALCHBBNSA-N 434.581 4.026 10 20 IICD CSc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 727246002 FRNDFNYABREVQH-UHFFFAOYSA-N 431.564 4.218 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 729233458 QWHXBCPSCKZPAI-HSZRJFAPSA-N 429.511 4.267 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC3CCN(CCc4ccccc4)CC3)cc2)CC1 731049359 WHFYWFDEGPPKOK-UHFFFAOYSA-N 434.628 4.429 10 20 IICD COC(=O)c1ccc(-c2nc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cs2)cc1 731844652 LYIMVUTUFBXXLZ-OAQYLSRUSA-N 438.549 4.484 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)Nc2cccc(C)c2)cc1 732114824 NJDAYIQFJGGYBE-UHFFFAOYSA-N 446.551 4.425 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 732283055 DEXGJRQWXYMESV-AREMUKBSSA-N 438.387 4.481 10 20 IICD C[C@H](Oc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 734695684 ZQXXCQJTZLKEAF-KRWDZBQOSA-N 435.499 4.287 10 20 IICD C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3nn[nH]n3)c2C1 736157132 RQFLTFZFKMRRFT-JEFCNZTNSA-N 439.523 4.189 10 20 IICD CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(Cl)cn1 736482435 SPTXWBZUDFQWLX-GXDHUFHOSA-N 437.999 4.441 10 20 IICD Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742416008 IUEFJESTRPFYPP-UHFFFAOYSA-N 445.567 4.180 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)c2ccccc2)NC(=O)OC(C)(C)C)cc1 742754190 NNIVLJZDNFMVDB-LJQANCHMSA-N 433.499 4.227 10 20 IICD CCCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCc2ccccc21 746946480 BZBQBFXKONAKAH-HSZRJFAPSA-N 425.548 4.396 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(F)ccc2I)C2CC2)cc1 750731374 DRWKWKAEIUDCCV-UHFFFAOYSA-N 438.284 4.301 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@H](C)c1ccc(Cl)cc1 751932220 SRIILQRCXPJWGM-KGLIPLIRSA-N 443.956 4.392 10 20 IICD CC(C)n1nnnc1-c1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 753046563 KVPWFQNPJNQLMK-UHFFFAOYSA-N 432.484 4.454 10 20 IICD Cc1sc(NC(=O)c2cnc3c(c2)nnn3C)c(C(=O)OC(C)C)c1-c1ccccc1 754065461 XAUIHHXTLKREFB-UHFFFAOYSA-N 435.509 4.218 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cccc(OC(C)C)c3)cc2F)CC1 756686821 HPPRFFXODBYNSS-UHFFFAOYSA-N 442.579 4.096 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 759579248 KJPAAOLQUORSTF-MRXNPFEDSA-N 444.548 4.218 10 20 IICD O=C(CCCc1cccc(Br)c1)NCc1ccc(N2CCC(CO)CC2)cc1 760609112 BUHJIMQDBGHQGL-UHFFFAOYSA-N 445.401 4.297 10 20 IICD CC[C@@H](C)n1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1 760742924 MOEGMVOLJRDWBN-BEFAXECRSA-N 430.980 4.485 10 20 IICD Cc1cc(-c2noc([C@@H](C)N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)n2)ccc1F 762209119 ZOXZHLPPIFQFBN-GFCCVEGCSA-N 444.850 4.069 10 20 IICD COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 764861512 MVHWRAXRJKQIMP-AREMUKBSSA-N 445.563 4.344 10 20 IICD Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 765375855 KMUMYMLTVCPDSD-SFHVURJKSA-N 440.588 4.102 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl 768188291 TYTRHNVGKOLMDJ-UHFFFAOYSA-N 434.370 4.086 10 20 IICD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cc5c(cc4O)CCCC5)CC3)cc2NC1=O 768448445 CESGHOMPUOPEFJ-MRXNPFEDSA-N 434.536 4.085 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N(C)C)cc1 773845587 IEOROMXJBDRWGE-MRXNPFEDSA-N 428.964 4.212 10 20 IICD Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)n1 773847030 MHZPXPBMXJXZAM-QGZVFWFLSA-N 449.580 4.127 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)cc1 775565851 RDGCUAYJKYKPAM-QWHCGFSZSA-N 430.339 4.115 10 20 IICD CCN(C[C@H]1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1)CC(F)(F)F 776134069 KZDYAJQUEFNNRM-QGZVFWFLSA-N 432.506 4.088 10 20 IICD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1ccc(N(C)C)cc1 776269042 HPGZDFKRVSQIDA-HXOBKFHXSA-N 431.536 4.093 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776743104 BMTBNROOYBNWFF-UHFFFAOYSA-N 446.531 4.318 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3nc4cc(Cl)ccc4n3C)cc2)CC1 777512000 BCWDCRSAGQXLOZ-UHFFFAOYSA-N 425.964 4.462 10 20 IICD Cc1ccnc2c(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)cccc12 777665884 RPRQUKNPRGOHBC-UHFFFAOYSA-N 425.491 4.196 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)c1cc2ccccc2[nH]1 777827314 ZFUHVHZEODODJG-SFHVURJKSA-N 427.504 4.393 10 20 IICD CCn1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(=O)c2cc(Cl)ccc21 777873041 GLYWMYRKEXFSCD-GOSISDBHSA-N 440.927 4.202 10 20 IICD CCOCc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782423983 UJFTWKBAWQHKKE-UHFFFAOYSA-N 435.524 4.050 10 20 IICD Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 785294142 LHHIXGXEVPBIHF-MRXNPFEDSA-N 436.533 4.243 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)cc2)CC1 786259111 KGRCAECEVARWAF-UHFFFAOYSA-N 449.501 4.230 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 786307908 FOHDRSQDQPHLHQ-CYBMUJFWSA-N 432.904 4.049 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 788248607 RQWSYEDADDUSSW-NHCUHLMSSA-N 435.584 4.102 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 791247396 XYTPFMLNKWUIDR-UXBLZVDNSA-N 440.540 4.106 10 20 IICD CCc1c(NC(=O)NCCc2ccc(O)c(O)c2)cnn1-c1cccc(C(F)(F)F)c1 792485894 LLWNBSZMMQSEPC-UHFFFAOYSA-N 434.418 4.229 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2sc(N3CCCC3)nc2s1 793105731 JRCWNMBOKPQMRZ-UHFFFAOYSA-N 444.651 4.441 10 20 IICD Cc1cc(Br)cc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)c1O 793606174 PRNHIABSDDYGOO-FQEVSTJZSA-N 446.389 4.241 10 20 IICD Cc1ccnc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc12 795317157 QNGSSNPVOSKJNV-UHFFFAOYSA-N 429.442 4.329 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1)c1ccc(N2CCOCC2)cc1 803309069 OKOYTDCYBWTDMM-OAQYLSRUSA-N 449.595 4.062 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 807095397 DAOVERZGSNJKFV-CVEARBPZSA-N 435.490 4.004 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc(-c2ccccc2F)cs1 807512774 IMVCSEGIDNAQNW-UHFFFAOYSA-N 440.283 4.217 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc2c1OCO2 814280968 MUPUQUZGMXMJAO-OVCLIPMQSA-N 437.445 4.431 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)n2)c1 915184850 AOJKDKFVRAGAEA-UHFFFAOYSA-N 434.539 4.254 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 916447877 HILRIPSWAAVSJD-IBGZPJMESA-N 431.536 4.243 10 20 IICD CC(C)NC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c([N+](=O)[O-])c1 917086683 MFDUPMOKYCAGEI-IYBDPMFKSA-N 444.507 4.098 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN=c3nc(-c4cccs4)[nH]c4ccccc34)cc2)C1 917391045 JHQOVPUHPWRLAP-SFHVURJKSA-N 443.576 4.094 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 917513770 XUPOAPJTCJTNOT-MRXNPFEDSA-N 434.525 4.199 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2F)C[C@H](C)O1 917713641 TVILMMLIPBCYDC-GJZGRUSLSA-N 448.922 4.184 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)ccc1OC(F)F 919895318 IBZUTITZQLQPLP-UHFFFAOYSA-N 431.483 4.081 10 20 IICD O=C(CCC(=O)c1ccc2ccccc2c1)NCc1ccc(N2CCC(CO)CC2)cc1 919969191 YBZRLRRVOORICI-UHFFFAOYSA-N 430.548 4.328 10 20 IICD Cc1cc(C(=O)CN2CCc3c(ncn3-c3ccccc3)C2)c(C)n1-c1ccc(F)cn1 929070468 PVLOHHCZAJXSMO-UHFFFAOYSA-N 429.499 4.055 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)cc1 1317886988 YGPDBJFZGRQGKF-UHFFFAOYSA-N 432.524 4.158 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCC(c2ccccc2)CC1 1342915923 NEFCLXUCWNVTEW-JITJBCMDSA-N 425.525 4.052 10 20 IICD Cc1c(CNC(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)n(C)c2ccccc12 472242667 VBEKRVVRRAOWIZ-FQEVSTJZSA-N 447.543 4.097 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(C)n1C[C@H]1CCCO1 726197278 PDBZJLRYQQKTSV-PQDCBLBRSA-N 427.595 4.123 10 20 IICD CN(c1ccc(CNC(=O)NCCCS(=O)(=O)c2ccccc2)cc1)C1CCCCC1 726245853 RPNRPLUUMYXABN-UHFFFAOYSA-N 443.613 4.119 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N(Cc1ccco1)C[C@H]1CCCO1 726720112 UIRIZQZMBCTUHG-OAQYLSRUSA-N 449.498 4.241 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 727246505 KSTVPYOEPHVMMI-UHFFFAOYSA-N 434.564 4.428 10 20 IICD COc1ccccc1[C@H]1CCCCN1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O 729985076 GKDVKDRAHBFTGR-XMMPIXPASA-N 438.568 4.163 10 20 IICD O=C(NCCCc1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 731284149 RBSOTPHCDDZCFB-HXUWFJFHSA-N 447.373 4.478 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C\C2CCOCC2)c(C)n1-c1ccc(OC(F)F)cc1 732689146 IOPHGLKWJUGJFA-BAQGIRSFSA-N 433.451 4.404 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)c(F)c1 732918669 KQDIRPWSZJOVRT-MRXNPFEDSA-N 427.474 4.071 10 20 IICD O=C1/C(=C/c2cnn(-c3ccc(F)cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2 735331136 YJMIVGURLTWEOV-WSVATBPTSA-N 425.466 4.146 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3cccc(Br)c3)CC2)cc1 741921505 TUVJIMLULAYOOG-OAHLLOKOSA-N 433.346 4.010 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 743807578 IPIMRWWRUMBACJ-IBGZPJMESA-N 434.330 4.375 10 20 IICD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1Cc1ccccc1 751098373 GINKTXJOZVGFOY-QDSKXPNFSA-N 437.584 4.136 10 20 IICD O=C1CCCc2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2N1 751136998 OSFCDHVWKKZMGZ-UHFFFAOYSA-N 428.554 4.191 10 20 IICD COc1cccc(CNC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1O 753265782 XOGUPPBGLKSOMA-UHFFFAOYSA-N 438.355 4.171 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)CC2)cc1 754290809 ISARCRWTJDFHRJ-NFBKMPQASA-N 427.520 4.023 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cc(Br)cc(F)c3O)C2)c1 756635894 BPWINJTUZBVNPI-GXTWGEPZSA-N 439.325 4.241 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cc(Br)cc(F)c3O)C2)c1 756635904 BPWINJTUZBVNPI-TZMCWYRMSA-N 439.325 4.241 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(Br)cc1O 756851228 QAFJEBNZHKWTKY-STQMWFEESA-N 430.306 4.119 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2cc(Cl)cc(OC)c2O)cc1OC 758818288 DXIGHAHEWNYXOC-HXUWFJFHSA-N 432.904 4.019 10 20 IICD CN(C(=O)NCCCSc1nccs1)C1CCC(NC(=O)OC(C)(C)C)CC1 759601724 OCVMGWYPXFMIGZ-UHFFFAOYSA-N 428.624 4.103 10 20 IICD CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cn1C 760600598 HOGPKBFSFBJVQC-UHFFFAOYSA-N 439.946 4.088 10 20 IICD CC1CCN(c2ccc(CN3C(=O)[C@@H](c4cc(F)c(F)c(F)c4)N(C)C3=O)cc2)CC1 761284522 WNTJRXVYRVGACH-OAQYLSRUSA-N 431.458 4.476 10 20 IICD COCc1cccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1 761698850 ACNKREOCFMLECP-UHFFFAOYSA-N 443.506 4.118 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1Br 762000231 KGZGSDGKQYDGBD-UHFFFAOYSA-N 430.320 4.141 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)CCO2 765281250 PEOSNTPOINVZAM-HSZRJFAPSA-N 447.558 4.118 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1N1CCC(O)CC1 765987389 JRFRCMPYDMKNSJ-MSOLQXFVSA-N 445.554 4.174 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)ccc21 767672347 QTRUQFWMXAIYKM-UHFFFAOYSA-N 441.943 4.254 10 20 IICD Cn1c(COC(=O)c2csc(Cc3ccc(N)cc3)n2)nnc1-c1ccc(Cl)cc1 770409981 BYZOYSUHKWMGTQ-UHFFFAOYSA-N 439.928 4.122 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773002336 ZJYCEXSMPOCIEN-DLBZAZTESA-N 434.627 4.294 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1O 774936981 LTNMZWHBLKXJFW-UHFFFAOYSA-N 434.514 4.169 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1)c1ccccc1 776126751 GNKBBYYYKJOBGM-YADARESESA-N 436.600 4.298 10 20 IICD CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CC1 777190679 YIHDIHMIHSGKML-UHFFFAOYSA-N 430.552 4.011 10 20 IICD CC(C)(C)OC(=O)N1CC=C(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 779674441 IJWGYBLNNOPBNB-UHFFFAOYSA-N 441.528 4.264 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 779874330 NTROZDLCPKUKLI-MRXNPFEDSA-N 429.542 4.425 10 20 IICD COc1cc(Br)cc(CN[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O 782540413 VXJYYBYPINKDTP-LSDHHAIUSA-N 429.355 4.089 10 20 IICD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC(C)C 782895477 DYOQFRFPZGNQQZ-UHFFFAOYSA-N 440.540 4.488 10 20 IICD Cc1ccccc1-n1nccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783484362 BMOVYBQGMYHWDO-LJQANCHMSA-N 439.519 4.496 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 784025662 FTVNIUBJFQKZNS-UHFFFAOYSA-N 447.322 4.262 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Br 784058081 KRGBEBHGWCZIFA-UHFFFAOYSA-N 446.345 4.344 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc4ccccc4c3)cc2)CC1 786657185 UOMWUJJHUBGGLO-UHFFFAOYSA-N 429.564 4.102 10 20 IICD C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCNC2=O)cc1 786831435 YLKAYLDEYGHSAN-WMZOPIPTSA-N 430.499 4.137 10 20 IICD COc1cc(OC)cc(Oc2ccc(CNC(=O)NCc3ccc(OC)cc3O)cc2)c1 790869021 ZLFWBUWRCTXILD-UHFFFAOYSA-N 438.480 4.210 10 20 IICD Cc1c([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)oc2ccccc12 793629743 ZMRBCFRGNFYBHQ-IBGZPJMESA-N 433.552 4.471 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1C[C@H](c2ccccc2)C1 798058023 BFLYIMVGSZFDOF-WGSAOQKQSA-N 433.474 4.287 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)cc2Cl)C1 799883703 NBUKUYACXSPJRZ-DOTOQJQBSA-N 446.945 4.260 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F 804852076 YMELYJWDKAYGEY-MRXNPFEDSA-N 425.504 4.254 10 20 IICD CC(C)OCCCNC(=O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 809545795 QKXTWPOGDYFNPT-UHFFFAOYSA-N 449.639 4.393 10 20 IICD CCN1CCN(C(=O)[C@H](C)SC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CC1 814772883 HSDIMYVEFJDRHU-QCUKBLKESA-N 445.635 4.157 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc2c(cn1)CCC2 818991752 DUWYNPYNICEGQT-WJDWOHSUSA-N 429.592 4.252 10 20 IICD C[C@H](CCc1ccco1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914439625 JXRXWCLRHPBZBS-CPZHOGDASA-N 434.608 4.460 10 20 IICD CC(=O)c1csc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 914445069 MDMDLKGIFXKCND-MDWZMJQESA-N 437.593 4.027 10 20 IICD O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)Nc1ccc(N=Nc2ccccc2)cc1 914672277 WMHDZDAGSSQCFP-IAGOWNOFSA-N 448.401 4.041 10 20 IICD COc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1OCc1ccc(Cl)cc1 917355898 MRXZVZLYZUYILJ-UHFFFAOYSA-N 427.884 4.311 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl 918456438 KDUTYVGXVQBZIH-UHFFFAOYSA-N 429.948 4.323 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(N4CCOCC4)s3)c2C)cc1C 920307411 CZSNOXNOSBZDHE-UHFFFAOYSA-N 442.610 4.374 10 20 IICD C[C@@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ccc(N2CCOCC2)cc1 920869893 CXCHARAJFKCAME-LJQANCHMSA-N 425.548 4.388 10 20 IICD Cc1cc(OCC(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)no1 921157747 CCLNKYOIOABMRJ-OAHLLOKOSA-N 448.422 4.185 10 20 IICD COc1ccc(Br)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1319762394 HIGYFYIXRBABJQ-MRXNPFEDSA-N 435.318 4.376 10 20 IICD Cc1cc(C(=O)N(CCC(N)=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1322413144 FHOXHNAIOKLHGB-UHFFFAOYSA-N 440.341 4.379 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCCCO1 1346328088 QFWXKVIAMYFXSR-IBGZPJMESA-N 426.948 4.433 10 20 IICD Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 10199790 OXRCQADRTVJDGC-UHFFFAOYSA-N 445.466 4.014 10 20 IICD O=C(CSc1nccc(C(F)(F)F)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 26476738 BIAVDEUOYAVYMD-UHFFFAOYSA-N 443.406 4.002 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 40859604 ZKXFOQLSAJQXBU-PDGQHHTCSA-N 429.519 4.373 10 20 IICD C[C@H](Nc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-])c1ccccn1 437011334 VJCIGRSFKFNESF-INIZCTEOSA-N 447.495 4.268 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N3CCOc4cc(N(C)C)ccc43)s2)c(F)c1 499883741 CPBHKRNUOUOBMT-UHFFFAOYSA-N 427.501 4.371 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3nc4cc(Cl)ccc4s3)CC2)cc1 726703049 AAIBJBVBUQMALN-UHFFFAOYSA-N 444.988 4.469 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4)nn3)c2C)cc1C 726884991 WKFOWNJQJLDNAY-UHFFFAOYSA-N 432.524 4.141 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCc2nc(C(C)(C)C)no2)cc1 728837600 UPYAWGUGPFMSQA-UHFFFAOYSA-N 426.483 4.347 10 20 IICD CC(=O)N(C)C1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 728917051 XMTVQCUHOBVEIH-KRWDZBQOSA-N 447.526 4.209 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(OCC(F)(F)F)nc3)cc2)CC1 731049714 LSUUURMLOOWBNX-UHFFFAOYSA-N 436.478 4.258 10 20 IICD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 731077254 IVMWNZUGCAQOGB-UHFFFAOYSA-N 446.329 4.343 10 20 IICD Cc1cc(C(=O)NCC[S@](=O)C(C)(C)C)c(C)n1-c1ccccc1Br 732768401 NUUYKKSHEMJJPJ-VWLOTQADSA-N 425.392 4.134 10 20 IICD Cc1cc(C(=O)COC(=O)COC2CCOCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 735363313 FQAAGWPMKLUVFK-UHFFFAOYSA-N 440.323 4.322 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1F 737189345 APEWOMGJWAVRSH-UHFFFAOYSA-N 446.954 4.180 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([S@](C)=O)c(F)c2)cc1 747544833 OXKFWBPPFBJIMF-PMERELPUSA-N 429.517 4.456 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)ccc21 749010196 SINVMLYTZGOMDW-OAQYLSRUSA-N 444.373 4.115 10 20 IICD CC(C)Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)cc1 749737514 HWKUUKOQLUBOFM-UHFFFAOYSA-N 446.598 4.357 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1 750087021 NXLUJTBIIVKTJX-UHFFFAOYSA-N 444.560 4.411 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1cccc2cccnc12 751464692 DBRCMEBMSNJRDQ-UHFFFAOYSA-N 435.343 4.055 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@H](C)c1ccc(Cl)cc1 751932225 SRIILQRCXPJWGM-ZIAGYGMSSA-N 443.956 4.392 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)c(Br)cc1F 753321681 OBAXROPPZOXUFI-UHFFFAOYSA-N 444.251 4.025 10 20 IICD C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)c(F)cc1O 756456565 HUQAQFCFWTXAMG-LBPRGKRZSA-N 441.316 4.245 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(-c3ccccc3Br)c2)c1 756501736 NMOMMZFGGZWRPI-GFCCVEGCSA-N 431.290 4.232 10 20 IICD COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756589213 KFBMIEJXYJXKPG-DYZYQPBXSA-N 430.726 4.210 10 20 IICD C[C@@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)cc(F)c1O 756675895 HOKGNPRGTIBJIO-KOLCDFICSA-N 429.236 4.028 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Br 758164467 XZZSJDALLTUQHO-UHFFFAOYSA-N 442.074 4.171 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3c([nH]c4ccccc34)C2)c([N+](=O)[O-])c1Br 758281121 SLNANXSAGOBWNP-UHFFFAOYSA-N 447.245 4.318 10 20 IICD COc1ccc(CNC(=O)NCc2cccc(Br)c2O)c(C(F)(F)F)c1 764771236 VPJVFALYAZSIFR-UHFFFAOYSA-N 433.224 4.182 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c2ncccc12 766494250 AZPGMKNWMMTWAH-UHFFFAOYSA-N 430.442 4.206 10 20 IICD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 768235937 BELOJNQFDWHENW-QGZVFWFLSA-N 431.558 4.182 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 769024650 QGZBGAHGSHPENS-RPWUZVMVSA-N 447.608 4.164 10 20 IICD CNC(=O)[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c2ccccc2O1 772038339 ZHNLPQFVOGXYNR-QHCPKHFHSA-N 443.507 4.322 10 20 IICD COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1F 773264664 DUWHIHXNILVRRJ-UHFFFAOYSA-N 427.520 4.167 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc(-c2ccc(Br)cc2F)n1 773755834 GDOSYHKPZSTSCW-SNVBAGLBSA-N 435.249 4.015 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1O 774929874 PFFYCCMYGVMCJT-HUUCEWRRSA-N 427.501 4.348 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 775222064 KRFKQTTUHRRJGF-UHFFFAOYSA-N 437.443 4.323 10 20 IICD Cc1cc(Br)cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 777130090 NVGYZRJMNHNKTP-UHFFFAOYSA-N 444.373 4.345 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 779548378 RYKCMQHQEBHJFV-BENRWUELSA-N 443.547 4.114 10 20 IICD CCCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 782429157 KLGSBDKFHYRSGG-UHFFFAOYSA-N 435.524 4.302 10 20 IICD COc1ccc2cc(CNC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc2c1 785885255 SNLJKCYUKLRUHD-UHFFFAOYSA-N 445.563 4.017 10 20 IICD C[C@@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O 788611106 GEXCIUUMRDXGMB-NQIIRXRSSA-N 436.527 4.053 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2ccccc2C(N)=O)cc1 792159449 WEHZMJYPLVOCKR-UHFFFAOYSA-N 431.536 4.026 10 20 IICD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 792839136 SQVFWPYTULYBMS-UHFFFAOYSA-N 428.577 4.043 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4sc(N5CCCC5)nc4s3)CC2)cc1F 793631677 IZLBJJICQJFJKH-UHFFFAOYSA-N 446.573 4.068 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 799033600 HLJGBQCOZCOTOH-HSZRJFAPSA-N 435.499 4.403 10 20 IICD COc1ccccc1Nc1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 800500954 IBJRRRPKGSGSIY-UHFFFAOYSA-N 444.535 4.393 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 806670813 JMQIINMFHKTSAN-LBPRGKRZSA-N 432.348 4.145 10 20 IICD COc1ccc([C@@H](C)CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 807413079 BEQYIXGUKFQQSR-IBGZPJMESA-N 438.568 4.372 10 20 IICD COCCn1c(C)cc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c1C 814284654 UTRDYGYDGMLFMP-XSFVSMFZSA-N 430.595 4.204 10 20 IICD O=[N+]([O-])c1ccc(O)c(CNC2(Cc3ccc(F)cc3Br)CCOCC2)c1 815125360 XYCDLQUUGSKQKR-UHFFFAOYSA-N 439.281 4.084 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 914847015 IPQOEHLRNUVRBL-KRWDZBQOSA-N 434.367 4.228 10 20 IICD O=C(NCc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 915884502 XUCIOCCPYBMNSS-UHFFFAOYSA-N 427.854 4.195 10 20 IICD CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 917083883 GQWAZPVWZGKUKK-UHFFFAOYSA-N 448.658 4.054 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(F)cc1C(F)(F)F 918204041 NCTRIGUVTBSECS-UHFFFAOYSA-N 439.453 4.053 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 918308730 CUZXRPCSMDDNCW-UHFFFAOYSA-N 437.462 4.071 10 20 IICD CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)n1nnc(-c2ccccc2)n1 919694831 MTNBPFHOQAYDOI-QHCPKHFHSA-N 432.572 4.186 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920921352 CBOHHELJYIETHV-XMSQKQJNSA-N 443.975 4.491 10 20 IICD CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831382694 YXCYWDOEHTXHNY-LJQANCHMSA-N 436.980 4.421 10 20 IICD COc1ccccc1Nc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 19313276 KCOGWXPOWPUQTO-UHFFFAOYSA-N 443.598 4.107 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)CC2)cc1 110421973 RINFSCHBTHYXIP-SFHVURJKSA-N 434.540 4.394 10 20 IICD CN1CCCc2cc(CNC(=O)Cn3c(COc4ccccc4)nc4ccccc43)ccc21 302981656 KNEURIWSFDWEMR-UHFFFAOYSA-N 440.547 4.314 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(F)c(N4CCOCC4)cc3F)ccc21 552389897 ASLHVRAEVFVDKH-UHFFFAOYSA-N 443.494 4.272 10 20 IICD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Oc2ccccc2)cc1 725901744 WAAQBLSGLFHYSR-OAHLLOKOSA-N 426.494 4.047 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3)CC2)cc1 726702504 LNLSBHVKDHQIFX-QHCPKHFHSA-N 439.556 4.046 10 20 IICD CC[C@@H](C)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 727837851 XQPVPAPOVCNFDS-OPAMFIHVSA-N 426.517 4.044 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 741066309 MMLLCESHMQQYCQ-UHFFFAOYSA-N 429.402 4.453 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 742245932 PYAQOONIMDUJKP-KBPBESRZSA-N 444.576 4.067 10 20 IICD COC(=O)CCc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743149912 OHGMLAKSJRRLBZ-GOSISDBHSA-N 447.482 4.184 10 20 IICD CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 743322251 LZBVXIRYNQZTQS-SFHVURJKSA-N 434.540 4.029 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C2CC2)cc1 743895252 DQEGAHSFSUWHDD-UHFFFAOYSA-N 439.531 4.343 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2)c1 743956441 UQPWFHLDBWICCH-UHFFFAOYSA-N 446.503 4.327 10 20 IICD CCC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOCC1 744802236 RKTQQDOTTKQECT-SSZFMOIBSA-N 438.640 4.053 10 20 IICD Cc1cccc(CN(CC(C)C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 746951404 KMLPFYSKMMUQNZ-QHCPKHFHSA-N 436.600 4.065 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1c(Cl)cccc1Cl 751096688 GOEXDBOYOPHEIN-GOEBONIOSA-N 434.367 4.115 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl 752655998 KVMYBBQSNZTMMA-NRFANRHFSA-N 448.032 4.306 10 20 IICD CCOC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 752828757 AHCJJQDTFMIGIA-FGZHOGPDSA-N 449.599 4.252 10 20 IICD Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12 753637889 YNONAIXZYPWYMA-LBPRGKRZSA-N 425.485 4.307 10 20 IICD C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(Br)cc1O 756644048 YIIJEWUTMYIRSU-CYBMUJFWSA-N 446.370 4.392 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2ccc(Cl)cc2)CCOCC1 761150045 IZGYHOGKSQAEEY-UHFFFAOYSA-N 449.334 4.212 10 20 IICD COc1cc(Cl)cc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1O 761214699 FAZNDPAKRRDSOA-NRFANRHFSA-N 449.931 4.476 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1NCc1ccccc1 763924230 BBUFUVRSFRUSAX-UHFFFAOYSA-N 429.564 4.437 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)s1 764523591 BVHRXHDGAQWGLD-UHFFFAOYSA-N 431.568 4.124 10 20 IICD CCOc1ccccc1[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765277656 SRIBHFDAQOTLCC-IBGZPJMESA-N 435.547 4.192 10 20 IICD O=C(NCc1ccc(OC2CCCCC2)nc1)NCc1cccc(Br)c1O 765479391 NISMYLLUMSREPD-UHFFFAOYSA-N 434.334 4.261 10 20 IICD COc1cccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1O 769503465 JZGNBQWCSRWTFN-UHFFFAOYSA-N 433.327 4.146 10 20 IICD CC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)c(Cl)c1O 775556503 YWDRXQCSTSCIEN-QGZVFWFLSA-N 429.369 4.480 10 20 IICD Cc1cc(Br)cc(CNCc2cccc(C(=O)NCc3ccco3)c2)c1O 776024903 ZRTWBTVDIGYGKX-UHFFFAOYSA-N 429.314 4.276 10 20 IICD Cc1cc(Br)cc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O 776254556 ZGWIBMVKDVJHPA-RBUKOAKNSA-N 439.781 4.278 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@@H](c3cccc(F)c3)c3cnn(C)c3)cc2F)C[C@@H](C)O1 779020223 KLEJEAUXSHDDQO-OJLQRUNKSA-N 426.511 4.191 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 783117959 RKBBZUNHMTXDEC-UHFFFAOYSA-N 445.445 4.254 10 20 IICD CCc1nnc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)o1 784057709 BRFMNQZLCMKMRF-UHFFFAOYSA-N 433.512 4.186 10 20 IICD O=C1/C(=C/c2ncc(I)s2)SC(=S)N1c1ccc(F)cc1 794696634 VLBFCKVJJJXLQA-UITAMQMPSA-N 448.307 4.293 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 795678170 BBHFBAXTIYCCNM-NXCFDTQHSA-N 434.580 4.195 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 799200764 KKQVJZWEJNJONI-WJDWOHSUSA-N 432.479 4.009 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3nnn(Cc4ccccc4F)c3C)c2C)cc1 802143809 AZSGWIUWDAODDZ-UHFFFAOYSA-N 433.487 4.442 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802759422 LHMOXNDMCABWOJ-FCHUYYIVSA-N 449.599 4.252 10 20 IICD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807291088 FQOWQVCLLVPAQS-OAHLLOKOSA-N 432.351 4.205 10 20 IICD C[C@@H](NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc(N(C)C)cc1 807673437 SUIKYDAIJSJVFI-QVKFZJNVSA-N 439.606 4.227 10 20 IICD C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 808197078 BGGFXLKOFFWFOK-MRXNPFEDSA-N 432.524 4.155 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 809193936 HIZFLXPLVWQOFS-DNQXCXABSA-N 433.596 4.163 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CCC[C@H]5CCCC[C@@H]54)n3)CC2)cc1 809464626 JFKLIWLACCJFHB-BVYCBKJFSA-N 438.572 4.043 10 20 IICD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 810390264 CZEJXFJNJMWKKF-UHFFFAOYSA-N 435.446 4.414 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1)[C@@H]1C[C@H]1C 815593955 BWWHPADKTQRHMI-MZNJEOGPSA-N 448.567 4.335 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cccc(N2CCCC2)c1 917697726 LFCSWIJIBOYHBM-LJQANCHMSA-N 441.597 4.411 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)cc1 918007790 YVEPEFALAGYIQI-UHFFFAOYSA-N 425.426 4.275 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 918223129 DXEPJOSGTZXYCY-UHFFFAOYSA-N 436.531 4.233 10 20 IICD O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294898 MKWBPZMTFGIWNH-QFIPXVFZSA-N 442.515 4.110 10 20 IICD C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918781076 HDEGKSNHKCEYSZ-HXUWFJFHSA-N 439.600 4.430 10 20 IICD CCC(CC)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1 919653752 BMHQLUWMSZKOHW-KNQAVFIVSA-N 442.629 4.427 10 20 IICD COc1ccc2c(c1)c(C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c(C)n2C1CC1 1317772975 WQMXUVTYVPYVTO-UHFFFAOYSA-N 449.551 4.175 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H]2CCCC[C@@]21c1ccccc1 1323426576 DCBPNDIWDKQSPM-QFQXNSOFSA-N 437.559 4.398 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1Cc2ccc(O)cc2C2(CC2)C1 1324054377 QAQUUJXEIQMRJG-UHFFFAOYSA-N 443.494 4.219 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2[C@H]4C=CS[C@@H]42)C3)cc1 1800514014 CVVMEUBVPGYRKU-BLSGDLLQSA-N 447.604 4.221 10 20 IICD O=C([C@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740504 PUQYGOYDCGJXME-FXAWDEMLSA-N 446.975 4.341 10 20 IICD COc1ccccc1[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1nccn1C 25518797 XARYVXVNDXSTTA-QHCPKHFHSA-N 432.499 4.495 10 20 IICD COc1ccc(N2CCCN(C(=O)CCCOc3cccc(Br)c3)CC2)cc1 108428545 VVIKSFSEKVGKEK-UHFFFAOYSA-N 447.373 4.356 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 110354538 OLKFNIRQWFKZOX-UHFFFAOYSA-N 441.478 4.346 10 20 IICD CN1CCCc2cc(CNC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)ccc21 116153913 MOFMSYPHRYMHMG-UHFFFAOYSA-N 428.945 4.181 10 20 IICD N#Cc1ccccc1COc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 237858448 YWXMTQWAMFRVKM-UHFFFAOYSA-N 431.511 4.403 10 20 IICD O=[N+]([O-])c1cccc(-c2nc(CNCc3ccc(N4CCC(CO)CC4)cc3)cs2)c1 238176798 JUOLOGRTDMDPKC-UHFFFAOYSA-N 438.553 4.217 10 20 IICD Cc1cc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)c(C)n1-c1ccc(C#N)cc1 303205875 PTKCZCXKQKPHMN-XMMPIXPASA-N 426.564 4.260 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCSc4ccccc43)cc2F)CC1 303308322 OIRZJNJVCIAXGJ-FQEVSTJZSA-N 428.577 4.004 10 20 IICD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1c(C)c2ccccc2n1C 471203663 UGCPPKMUUCKMQJ-UHFFFAOYSA-N 432.446 4.409 10 20 IICD O=S(=O)(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cccc2nsnc12 609108309 ZFEMMLZUOXJRIJ-UHFFFAOYSA-N 441.972 4.148 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C1/CCn2c1nc1cc(C(=O)O)ccc1c2=O 613786333 GOUGINZXRFKEKX-PTNGSMBKSA-N 446.894 4.495 10 20 IICD Cc1csc(-c2ccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)n1 726078834 LNCKIJDZOKOPTL-LJQANCHMSA-N 449.580 4.142 10 20 IICD COCCN(CCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722698 VPINLFVHGYOOEM-UHFFFAOYSA-N 447.526 4.158 10 20 IICD Cc1ccc(CN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)CC2=O)cc1 728839377 DTZHMSLJPDYUPS-FQEVSTJZSA-N 447.501 4.001 10 20 IICD COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F 732423810 AOCFTHRFCAOGHZ-UHFFFAOYSA-N 437.418 4.004 10 20 IICD CN(c1ccc(CNC(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1)C1CCCCC1 732823826 FZHUYMKAJBGTOM-QHCPKHFHSA-N 426.605 4.142 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1F 737380920 KCOAABCZRQPQOH-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 740800924 IGYQDBMGTOCWRP-UHFFFAOYSA-N 435.977 4.223 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC1(c2cccc(Br)c2)CC1 741078436 KIHICKATAPOOGH-UHFFFAOYSA-N 446.414 4.491 10 20 IICD CSC1(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCOCC1 742110076 UFVCKXQVUBSUSG-UHFFFAOYSA-N 437.403 4.499 10 20 IICD O=C(NCCCOC1CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743518198 FPQNDMAHWWYECZ-QGZVFWFLSA-N 425.520 4.295 10 20 IICD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744474905 ZYHQLBDCPPMSOY-HNNXBMFYSA-N 443.455 4.045 10 20 IICD CC(C)(C)[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 745983759 VYAKCXWJBRVIBK-LJQANCHMSA-N 434.370 4.077 10 20 IICD COc1ccc(-c2cnc(CCC(=O)NCc3ccc(N4CCSCC4)cc3)o2)cc1 746393390 GUDCKUZEBDOFEU-UHFFFAOYSA-N 437.565 4.152 10 20 IICD Cc1cc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 748066645 HBSUEKOYWVWLAE-NRFANRHFSA-N 430.957 4.263 10 20 IICD Cc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1Br 756935612 BEFVLRLUGALFAO-HUUCEWRRSA-N 435.337 4.440 10 20 IICD CCOc1c(Cl)cc(CNC(=O)NCc2cccc(Br)c2O)cc1OC 764764324 OLNKZUJUACZYJV-UHFFFAOYSA-N 443.725 4.215 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nccc4ccccc34)cc2F)C[C@@H](C)O1 764925320 NAVQULXZOFECGA-IAGOWNOFSA-N 439.556 4.396 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H](CC(C)C)c3nc(-c4nc[nH]n4)no3)c2C)c1 765151133 XKQDWAOSVSGVHI-FQEVSTJZSA-N 447.543 4.396 10 20 IICD O=C(COc1ccccc1NCc1cccc(Br)c1O)Nc1cccnc1 767194658 LIYKLZBPLBOGPX-UHFFFAOYSA-N 428.286 4.179 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 769230034 WQNNNIAYLRSWON-UHFFFAOYSA-N 445.611 4.089 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769993503 MBDFLRVYAIQWTK-UHFFFAOYSA-N 446.550 4.013 10 20 IICD CC[C@@H](Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1cc(Br)ccc1O 775543638 BHWFDORJTDKMPZ-CQSZACIVSA-N 429.336 4.098 10 20 IICD CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(Br)cc(Br)c1O 775726217 QZHGFMQNHQPWFE-JOCHJYFZSA-N 447.192 4.287 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1OC 790069678 XWHWPNBECCZXHU-UHFFFAOYSA-N 427.906 4.073 10 20 IICD CN(CCOc1ccccc1C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 796526282 SXXVADGHLYODJF-UHFFFAOYSA-N 425.573 4.041 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797742853 CRNOJHHFHLWLGD-UHFFFAOYSA-N 431.529 4.056 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 799833551 YJXDMOATRRXQBY-UHFFFAOYSA-N 431.536 4.237 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnc1N1CCCC[C@@H]1C 804253006 UGFHFUYOISPABW-HNNXBMFYSA-N 428.920 4.097 10 20 IICD CC[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cn1 808946652 FKQMXIWCSPLTRI-GOSISDBHSA-N 434.379 4.212 10 20 IICD COc1cc(CCO)ccc1NCc1cc(Br)cc(Br)c1O 809655033 XSVAOCFQMUWMAI-UHFFFAOYSA-N 431.124 4.073 10 20 IICD CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCCCO1 812443224 KFAPHRYEFHWPAU-KNQAVFIVSA-N 427.593 4.086 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2F)CC1 813860043 DNLXFBJOHOLLLF-GBXCKJPGSA-N 429.555 4.364 10 20 IICD COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1OC(=O)c1ccc(F)cc1 814284889 LZTYKMTWFMSCGY-WOJGMQOQSA-N 429.494 4.417 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)sc2n1 856689241 QILZXPUEZYNDRP-OAHLLOKOSA-N 438.553 4.280 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccccn1 914613964 PUIYOWISCRSHSK-CQSZACIVSA-N 442.859 4.235 10 20 IICD O=C(NCc1ccc(CN2CCCCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 916216886 VWAFODYGQDTFGN-XMMPIXPASA-N 437.584 4.269 10 20 IICD C[C@@H]1CN(c2ccccc2CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1 917432408 YMVJBKRGISUHDE-GOSISDBHSA-N 449.517 4.057 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cccc4c3OCCCO4)SC2=S)cc1 917643356 FTNSAFDQVJGEPU-RGEXLXHISA-N 427.547 4.300 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OCc1ccc(F)cc1 917707289 ACQBCRXVPPRSMS-UHFFFAOYSA-N 438.474 4.310 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)cc1 918186728 IBJXZBOPKZJGFF-RUZDIDTESA-N 449.526 4.260 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1 918305156 FLFXGZQQIMFTSM-UHFFFAOYSA-N 436.600 4.114 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1ccsc1 1816357465 BLFCNDJGKYSRJP-OAHLLOKOSA-N 446.916 4.156 10 20 IICD CN(C)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)c1 71832320 UWKDKSWMAFGDCZ-UHFFFAOYSA-N 435.911 4.323 10 20 IICD Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 110524009 RQBFZTHIIIXOOA-CALCHBBNSA-N 438.547 4.271 10 20 IICD COc1ccc(N(Cc2cccs2)Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)cc1 110632493 PAYIZYGRIYCQSH-UHFFFAOYSA-N 445.548 4.167 10 20 IICD COc1ccc(N2CCCN(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 195709890 BBEDULAEAUVNFW-UHFFFAOYSA-N 444.531 4.044 10 20 IICD Cc1c(CO)cc([N+](=O)[O-])c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1[N+](=O)[O-] 301283223 YIETUPDLPCXKTI-UHFFFAOYSA-N 426.404 4.218 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C 471234361 BCWOOOXSWSOTGC-KRWDZBQOSA-N 444.622 4.467 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(N4CCCC4=O)ccc3Cl)CC2)cc1 726699061 TZCTVWSOXBZRPY-UHFFFAOYSA-N 442.947 4.266 10 20 IICD Cc1cc(C(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1ccccc1Br 726775450 MFWMJGUIRPSLGM-UHFFFAOYSA-N 433.346 4.082 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)c(C)c1 727250483 MBVRYOKJJIAHKO-UHFFFAOYSA-N 446.550 4.034 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3)ccc21 728637604 NYBNNDHMFQHBMO-UHFFFAOYSA-N 449.551 4.300 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(c2ccc(Cl)cc2)CCC1 728749308 FTZFWIQBVIYKGS-UHFFFAOYSA-N 431.939 4.319 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 728839244 JFRRRFVHGYDSDX-SFHVURJKSA-N 433.474 4.235 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(NC(C)=O)s3)c2C)cc1 729642479 CULOXPHTDPLWSH-UHFFFAOYSA-N 430.555 4.278 10 20 IICD O=C(Cc1coc(-c2cccs2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 729970228 WKZDFLLNWPPTEF-UHFFFAOYSA-N 433.480 4.332 10 20 IICD CC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 732195244 AUJVYINUOMYKCS-UHFFFAOYSA-N 447.878 4.124 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(Cl)c1 732918289 CIQRDLGXSKEXJW-KRWDZBQOSA-N 425.939 4.447 10 20 IICD Cc1cc(-c2csc(NC(=O)C(C)(C)S(C)(=O)=O)n2)c(C)n1-c1ccc(F)cc1 733089354 IBAKKQXIIGNMSI-UHFFFAOYSA-N 435.546 4.118 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3Cl)cc2F)C[C@H](C)O1 733342278 IVTWSOWNHCXQFH-GJZGRUSLSA-N 437.918 4.274 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cn2)cc1C 741097476 SARYDMMOKCDZMA-UHFFFAOYSA-N 442.519 4.122 10 20 IICD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1O 741282767 MDYJYTBJBYZGSI-HOCLYGCPSA-N 436.346 4.236 10 20 IICD CC(C)c1ccc(N2CC[C@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C2=O)cc1 741670781 JNXAJZQDNAZKEZ-HSZRJFAPSA-N 437.609 4.033 10 20 IICD CC(C)c1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccccc1F 743338888 LXAWVXXECNZMOG-SFHVURJKSA-N 438.503 4.057 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CSc3ncc(-c4ccccc4)n3C)cc2)C[C@H](C)O1 747365555 SPPORMRZJVATQE-ROUUACIJSA-N 436.581 4.432 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 750984977 UKVNTEMXFIKFKL-FCHUYYIVSA-N 429.630 4.141 10 20 IICD Cc1ccc([C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C2CCC2)o1 756447625 XCAYUHIKKZYKNO-XMMPIXPASA-N 435.547 4.475 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 756454950 GRYZTVFMGJRJHC-GJZGRUSLSA-N 433.346 4.118 10 20 IICD COCCSc1ccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761231681 NUGOCDINIHVYBA-AWEZNQCLSA-N 434.945 4.310 10 20 IICD COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 761660785 XXDYFHGXZNWHLS-IBGZPJMESA-N 427.614 4.269 10 20 IICD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 763284771 VGKOLEAOWQYGLQ-KRWDZBQOSA-N 443.503 4.320 10 20 IICD C[C@H](N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 765595543 MGAARMMPEVBSFZ-NSHGMRRFSA-N 435.584 4.349 10 20 IICD CN(C)c1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 767235124 BQRDKSJCXBRJIX-UHFFFAOYSA-N 435.746 4.128 10 20 IICD C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C 769424097 QZUXVMLXPCDVTC-IEBWSBKVSA-N 432.565 4.320 10 20 IICD CCS(=O)(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 770034023 HEWMQHFAJWTXFV-UHFFFAOYSA-N 430.614 4.299 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc21 773782875 DTJWBZUEJUVZAF-JXFKEZNVSA-N 443.588 4.422 10 20 IICD Fc1cc(Br)cnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775449453 CMERSINFOUOGQQ-UHFFFAOYSA-N 434.231 4.451 10 20 IICD C[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C[C@@H]1n1ccnc1 775737814 MPJAWTVMJGLCLC-NHYWBVRUSA-N 429.156 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(-c3ccccn3)oc2c1 777728285 LNNIGPWCXHIAOK-UHFFFAOYSA-N 429.480 4.048 10 20 IICD Cc1cc(Br)cc([C@@H](C)NC[C@@H](c2cccs2)N2CCOCC2)c1O 779005698 JYRZZYWWXMIMSZ-PBHICJAKSA-N 425.392 4.249 10 20 IICD Cc1cc(C)n(-c2ccc(CNC(=O)/C=C\c3ccc(O)c(O)c3)c(C(F)(F)F)c2)n1 779497086 DJECDNPUNDRCDY-YWEYNIOJSA-N 431.414 4.249 10 20 IICD C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 779498265 CPADRRTUHDYDKP-UILAEWCASA-N 434.467 4.309 10 20 IICD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783318342 XCEAKFSCVDUWOU-UHFFFAOYSA-N 425.577 4.138 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)cc1C 785191506 CVAVOUBQJYYDLW-UHFFFAOYSA-N 449.345 4.238 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O 785927290 YRUWUVHRNLLQBY-QHCPKHFHSA-N 426.605 4.142 10 20 IICD C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 804975531 OOAZRRXGOOQVJO-QGZVFWFLSA-N 435.490 4.315 10 20 IICD Cc1sc(=O)n(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1-c1ccc(F)cc1 807833749 FBPATLGBPRZDOK-UHFFFAOYSA-N 441.311 4.353 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S 915850026 OANFCGNELRMCPL-JXAWBTAJSA-N 441.578 4.291 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1cccs1)C[C@@H]1CCCO1 916624757 ONEQINAPLVHZOG-FQEVSTJZSA-N 431.627 4.192 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccccc1C(=O)N1CCCCC1 916625336 CSLNGYJKUNHCKT-UHFFFAOYSA-N 438.597 4.188 10 20 IICD CCOC(=O)/C=C/c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916625373 HCWRTVYCRJCKAT-KPKJPENVSA-N 425.554 4.138 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc4c(cc3Cl)OCCO4)cc2F)C[C@@H](C)O1 916672987 ANAUVANFDLSWKF-ZIAGYGMSSA-N 449.910 4.186 10 20 IICD Cc1cc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c(C)n1-c1ccccn1 917097224 ICBWPRCKIVQXCE-UHFFFAOYSA-N 425.492 4.066 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(NC(=O)C(C)C)CC3)c2C)c1 917109681 CLNWXCIIDZZJLQ-UHFFFAOYSA-N 427.614 4.235 10 20 IICD CCc1ccc([C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(C)C)cc1 918118430 SBJZIYHSFZBNPA-LADGPHEKSA-N 436.600 4.147 10 20 IICD O=C(NCc1ccc(Br)o1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1324313953 WGXMFLJPDVMBCV-LBPRGKRZSA-N 444.276 4.112 10 20 IICD COc1ccc(N2CCC(NC(=O)COc3ccccc3Cc3ccccc3)CC2)cc1 110354017 GLCZGOFCAOJWAV-UHFFFAOYSA-N 430.548 4.450 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl 614854903 NPLWPFIUHRJVRG-UHFFFAOYSA-N 438.962 4.064 10 20 IICD CCC(=O)Nc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726696072 XUKOUOCUCPWAGX-UHFFFAOYSA-N 432.471 4.427 10 20 IICD O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1CCc1cccnc1 727864027 QDGODIZZTSNOGV-APSNUPSMSA-N 449.351 4.017 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccccc3OC(F)F)ccc21 728637564 NMYFZNHGTRCSIL-UHFFFAOYSA-N 446.450 4.301 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1 729360143 NKJGWYSIMZGFKL-UHFFFAOYSA-N 425.916 4.331 10 20 IICD CCCO[C@H]1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 731120811 KZPWEIAZKCARFM-IBGZPJMESA-N 425.520 4.248 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1F 736631000 BGWUXGHRSHPBIG-UHFFFAOYSA-N 433.549 4.032 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSC3=Nc4ccccc4C3)cc2F)C[C@@H](C)O1 740766471 NLTQTSBAYOPASM-IYBDPMFKSA-N 427.545 4.075 10 20 IICD C[C@@H]1CCC[C@@H](OCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 742754195 NNLXOQYNVNZSLL-UIFIKXQLSA-N 433.593 4.030 10 20 IICD C[C@H](Sc1nnc(C2CC2)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746394708 PSGQQUANKJPKPU-NSHDSACASA-N 435.530 4.310 10 20 IICD Cn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C2CCCCC2)n1 749325495 UUFOLWUEANCQJC-IBGZPJMESA-N 430.980 4.221 10 20 IICD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1ccc(N2CCSCC2)cc1 750669785 IAEULJGANPJPKD-UHFFFAOYSA-N 435.380 4.053 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C2CCCCC2)no1 753000739 IQJGYHKYFWRFJG-VQIMIIECSA-N 428.533 4.275 10 20 IICD CC[C@H](N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1c(C)noc1C 754546579 UEPHMNNXAJPFKM-KUHUBIRLSA-N 431.492 4.135 10 20 IICD C[C@H](NC1CCN(CC(F)F)CC1)c1cc(Br)cc(Br)c1O 756500985 AGKPUFQSSUDNCG-VIFPVBQESA-N 442.142 4.297 10 20 IICD C[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(N2CCCCC2)c(F)c1 765253272 ZRRVOZKPXNKICS-IBGZPJMESA-N 439.575 4.367 10 20 IICD Fc1cc(CN[C@@H]2CCc3c(Cl)cccc32)ccc1N1CCN(c2ncccn2)CC1 765278827 CIBVCWFVGCJXHC-JOCHJYFZSA-N 437.950 4.373 10 20 IICD C[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(N2CCOCC2)c(F)c1 765529139 UDTBYXLYFGBGGE-SFHVURJKSA-N 434.515 4.160 10 20 IICD Cc1cc(N(C)C)ccc1CNCc1cc(Br)cc(Br)c1N 765926166 LSQFCCIZUCYGQP-UHFFFAOYSA-N 427.184 4.458 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](c3cccc(C)c3)c3ccccn3)CC2)cc1F 766269091 URZBFWDKTIKYBF-XMMPIXPASA-N 434.515 4.159 10 20 IICD C[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 766571267 DRGQFOCCTXFFNB-PZJWPPBQSA-N 442.003 4.061 10 20 IICD CCS(=O)(=O)c1ccc2oc(CN(Cc3ccco3)Cc3ccccc3O)nc2c1 766885850 XQXNPZZNOLIDHU-UHFFFAOYSA-N 426.494 4.122 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CC1)C1CCCCC1 769759601 PEJXZKFUSKCSFM-UHFFFAOYSA-N 434.583 4.439 10 20 IICD CCOC(=O)c1cc2cc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)ccc2s1 771858961 ISIBXZAWZOBDHH-UHFFFAOYSA-N 444.896 4.406 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1F 775051127 MRJDMQLIZUXHMO-UHFFFAOYSA-N 438.527 4.259 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1F 775051238 PNUBAPIFRBAWPR-UHFFFAOYSA-N 426.878 4.190 10 20 IICD CC[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O 775497714 CVJNRHUOCPAZOU-GOSISDBHSA-N 438.403 4.132 10 20 IICD CC(C)N(C)CC1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775657792 IFHFMRJIXKDMBG-UHFFFAOYSA-N 434.216 4.469 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)n3)cc2F)C[C@@H](C)O1 775751032 UEKFDBTYJRCWBV-CHWSQXEVSA-N 426.414 4.175 10 20 IICD O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(F)c1 776743085 BDSSDDKLKKDDPI-UHFFFAOYSA-N 444.465 4.307 10 20 IICD COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)cc1 782187608 DQMBHMHUEVBAAJ-UNOMPAQXSA-N 443.546 4.431 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 783944947 CUKXUMWGKYDZCW-UHFFFAOYSA-N 434.587 4.397 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Oc2ccccc2F)nc1 786202873 QEFDSQJBJATYCR-UHFFFAOYSA-N 440.450 4.310 10 20 IICD Cc1cc(C(=O)CN2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccc(OC(F)F)cc1 790361591 XZBOIQGBEMYZIT-KRWDZBQOSA-N 448.510 4.148 10 20 IICD Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 792410359 VYEIRAIZRRGFGY-UHFFFAOYSA-N 425.356 4.057 10 20 IICD CO[C@@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 794181856 UNFWOSYFTHNBRE-HZMYXVCSSA-N 438.640 4.147 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)cc2Cl)C1 799953682 WHNWQYZPJKPESK-PXNSSMCTSA-N 447.023 4.167 10 20 IICD C[C@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1nc2ccccc2o1 801323058 ZAZDPVIQQLJUPX-LBPRGKRZSA-N 444.490 4.314 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Oc2ccncc2)cc1 807511908 FDJRJGAJQBHQGU-UHFFFAOYSA-N 432.263 4.141 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 807837010 XSDQXEPDLADJLS-UHFFFAOYSA-N 443.277 4.146 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 807839817 RKYYNKRHJIGICO-SREVYHEPSA-N 433.335 4.267 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c1 815835568 XVOMSPXQGSXYOJ-CYBMUJFWSA-N 429.904 4.289 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CSCCS2)c(C)n1-c1ccc(OC(F)F)cc1 899051754 ZSUJBPYPJWTZMK-GOSISDBHSA-N 441.521 4.270 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Br)s1 912859442 TZPXWWXODXMHGH-LFIBNONCSA-N 435.368 4.480 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)ccc1OC 913514905 VPYHVSDSYYVALP-YBFXNURJSA-N 428.535 4.458 10 20 IICD CCCCn1nccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 915182043 AJEPJCNEUYOHAG-FYWRMAATSA-N 434.612 4.365 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 917697829 QOUUBBSFPGGDOC-UHFFFAOYSA-N 427.570 4.104 10 20 IICD CC(C)(C)c1nnc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 918053863 ZGTBPFQXMOEHFH-UHFFFAOYSA-N 443.495 4.013 10 20 IICD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 918250292 MVVBKFZNVGAHIR-UHFFFAOYSA-N 444.579 4.300 10 20 IICD Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N(C)Cc3ccccc3O)cc2)cc1 919913116 GZRYICVGETWYPK-UHFFFAOYSA-N 447.535 4.102 10 20 IICD Cc1nc(COc2cccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)cs1 920881330 MTCTZQLPMBSYHV-QGZVFWFLSA-N 437.565 4.358 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2)C3)cc1 1800512966 RAPQOLOUMKWIAZ-VILGAWFOSA-N 428.536 4.055 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2)CC1 1829876260 LSNBNGUERWDKLU-FQEVSTJZSA-N 442.943 4.298 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)c2C)cc1 11419382 AVUDKIWYINRRMK-UHFFFAOYSA-N 433.508 4.490 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 108291115 FLJYWORTUUWMCJ-IRXDYDNUSA-N 437.515 4.262 10 20 IICD Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c2C)no1 207756706 TZHMSSWEMPRQAB-LFIBNONCSA-N 433.555 4.237 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 303300224 CPGMIXBSBMJUII-UHFFFAOYSA-N 426.536 4.232 10 20 IICD O=C(Nc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc1)C1=S=CC=C1 518924585 MYEBGHAAHMQLCC-OAQYLSRUSA-N 442.544 4.277 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 542023906 SATNMQBOJWZSCV-UHFFFAOYSA-N 432.480 4.075 10 20 IICD COc1ccc(NC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 726494618 YRWBXXNLVXAWPS-UHFFFAOYSA-N 425.476 4.391 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)CC2)cc1 726561797 RYUGZZDFCIUFKH-OAQYLSRUSA-N 448.350 4.280 10 20 IICD O=C(NCCc1c(F)cccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611620 SOLQFZRXUFHURP-UHFFFAOYSA-N 425.426 4.077 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 727243726 DVRXARCCVHEPRK-UHFFFAOYSA-N 425.438 4.360 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3C(N)=O)ccc21 728462370 NJQPUXIHJDIPTQ-UHFFFAOYSA-N 448.567 4.246 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2F)CC1 730195042 YZBJYWVIUXDTCZ-UHFFFAOYSA-N 442.516 4.021 10 20 IICD C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(-n5cccn5)cc4)cs3)ccc2O1 732911233 SESYPRSCGZJJAC-CQSZACIVSA-N 438.534 4.120 10 20 IICD CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1Cl 734535995 YEMQPKQZBIKYSU-PGRDOPGGSA-N 442.991 4.238 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 734670137 FJVDZRWSCPFAME-FQEVSTJZSA-N 434.506 4.154 10 20 IICD C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 739949309 OYZBNRBCLVJYIU-CYBMUJFWSA-N 448.894 4.235 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCSc2ncccc21 741956427 AXDGPSYOPXXXMI-NTCAYCPXSA-N 447.632 4.263 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccccc2F)NC(=O)OC(C)(C)C)cc1 742753052 ILHHMXHKUBLHJD-OKULMJQMSA-N 427.520 4.287 10 20 IICD Cc1cccc2c(CCNC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c[nH]c12 743554386 CMOGABAYCNRXFK-QZTJIDSGSA-N 438.547 4.271 10 20 IICD COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743669537 BYAPDPOLAZGJMA-IRXDYDNUSA-N 449.498 4.032 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 744231691 MGOWCYAESQSJSS-OAQYLSRUSA-N 434.536 4.110 10 20 IICD CC(C)(C)c1ncc(/C=C/C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)s1 744357134 KUUILECIVQUNHQ-SGWGQVFISA-N 439.581 4.261 10 20 IICD CCN(Cc1ccc(OCc2nccn2C)cc1)Cc1cc(Br)ccc1O 744426283 QMNINNIVAUIXQR-UHFFFAOYSA-N 430.346 4.489 10 20 IICD COc1sc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1Br 746522893 QPHMQFICSMRJAO-JYRVWZFOSA-N 441.397 4.358 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@H](C(=O)N3CCCCC3)c3ccccc3)cs2)cc1 751929698 BIYOTAISMFANKJ-QFIPXVFZSA-N 435.549 4.227 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1C[C@H](C)C[C@@H](C)C1 751937631 SVEJWVKUFCXTRA-WHSLLNHNSA-N 429.586 4.002 10 20 IICD CO[C@@]1(C)CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 752843576 JTIBILXLYHTTKR-RLWLMLJZSA-N 449.599 4.394 10 20 IICD COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753639776 CLQKYHCSCYKBKL-QGZVFWFLSA-N 443.503 4.320 10 20 IICD C[C@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c2c(O)ccc(F)c21 756433699 XMCHZECZJIWJRX-GUXCAODWSA-N 432.561 4.290 10 20 IICD CC(C)COC(=O)N1CCC(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 756898467 VOWFDADWFGUMFF-SFHVURJKSA-N 425.520 4.103 10 20 IICD O=C(OCc1coc(-c2ccc(I)cc2)n1)c1cc(O)cs1 757708649 JFTQGRCTICJWBD-UHFFFAOYSA-N 427.219 4.070 10 20 IICD O=C(NCCCSc1nccs1)N1CCc2c(F)cc(Br)cc2C1 759600428 FHOMATDQYONOTO-UHFFFAOYSA-N 430.368 4.295 10 20 IICD C[C@@]1(c2ccccc2)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 760163744 GBMBHIVGDQFULG-DEOSSOPVSA-N 445.510 4.214 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3cc(Br)cc4c3OCC4)SC2=S)cn1 764884077 AXYPCEPBJGHYLI-VGOFMYFVSA-N 436.356 4.006 10 20 IICD COc1cc(C)ccc1[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765280920 LYHFMRHCHSPRHO-LJQANCHMSA-N 435.547 4.110 10 20 IICD C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N(C)C)cc1 765986772 GTRHDHKEEABEAX-IBGZPJMESA-N 434.584 4.358 10 20 IICD COC(=O)c1ccccc1-c1ccccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 767477872 LWLXGNPKBFLRQJ-UHFFFAOYSA-N 444.531 4.249 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)CC1 767880559 AQWWSHSIQPPABA-UHFFFAOYSA-N 432.524 4.315 10 20 IICD CCOc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc(Br)c1OC 768207362 GDBKVXPQCIMNFI-UHFFFAOYSA-N 449.389 4.325 10 20 IICD O=C(NC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1)c1ccccc1 769244772 OTWFCSMJMPVFGY-OAQYLSRUSA-N 436.556 4.227 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4cc(OC)ccc4nc3Cl)CC2)cc1 770077698 MMKAGQHUHMTTGM-UHFFFAOYSA-N 425.916 4.304 10 20 IICD COc1cc(SC)ccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 773058296 MXZKGTZJVQRMGF-UHFFFAOYSA-N 441.597 4.441 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773621523 BNRGARKBFFSDII-MGPUTAFESA-N 432.362 4.359 10 20 IICD CN1CCN(c2ccc(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2)CC1 775024003 PXSYSYQNONBQIV-UHFFFAOYSA-N 433.518 4.253 10 20 IICD CC[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1O 775510907 AQSOUVHNPJXWIX-QGZVFWFLSA-N 430.420 4.366 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)CN3CCC(c4nnc5n4CCCC5)CC3)c2C)c1 775823814 KGQSBFXGHAZPCG-UHFFFAOYSA-N 431.584 4.393 10 20 IICD COc1cc(O)c(CNC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1OC 776174347 JMCXMKZWNRCFLP-LJQANCHMSA-N 434.964 4.005 10 20 IICD C[C@H]1CN(c2ccc(CNC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2F)C[C@H](C)O1 778076075 NFOSPZMYNWRUEF-IMKFEJLOSA-N 447.595 4.459 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)cc(C)c2O)cc1-n1nnnc1C1CC1 779049061 NRQQHQXRUUIOPE-LBPRGKRZSA-N 444.333 4.498 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)c1 779220551 DXNFLJCZVZCUFS-LFYBBSHMSA-N 444.763 4.250 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OCc4cccc(C)c4)c3)c2)CC1 781047020 MVEBFSWBHXYXLY-UHFFFAOYSA-N 443.547 4.495 10 20 IICD O=C(Nc1ccc(Oc2cccnc2)nc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896046 LHHZMPODHLOMOC-UHFFFAOYSA-N 446.507 4.275 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 783460488 IWIIHRGHBXKHID-KRWDZBQOSA-N 429.538 4.226 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccc(N(C)C)cc1 787560751 WWRNRASIFWZYIH-AWEZNQCLSA-N 440.450 4.034 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788937920 OTEGLXZVWQZSAB-QHCPKHFHSA-N 447.604 4.373 10 20 IICD O=S(=O)(Nc1ccc(F)cc1)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1 790976688 LEOIIECTAQMYEH-UHFFFAOYSA-N 438.883 4.414 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(CC)c1C(F)(F)F 799237236 SUXYGRVVSWENFN-UHFFFAOYSA-N 435.244 4.444 10 20 IICD CC[C@](O)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1 800478005 RIYWLVPFICVSQH-JOCHJYFZSA-N 438.902 4.324 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(F)cc1OC1CCOCC1 806647087 KFENNOXQNYMEKF-UHFFFAOYSA-N 445.560 4.258 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC=C(c2ccncc2)C1 806877974 KDEDLLLDZKPKHL-LJQANCHMSA-N 428.483 4.151 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3cc(Br)ccc3O)c2)o1 807385322 IIPSIFUYEPMTPH-UHFFFAOYSA-N 443.297 4.286 10 20 IICD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 807581196 QZZZVVVMUHCYMV-MOPGFXCFSA-N 445.563 4.483 10 20 IICD O=C(NCc1ccc(-c2ccco2)cc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O 807991138 GXPVGDQGBXHQFI-UHFFFAOYSA-N 448.450 4.230 10 20 IICD C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 808780649 VWVXEMXFKGXKON-HOYKHHGWSA-N 432.520 4.344 10 20 IICD COCc1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 811823499 YXDWJQKQMMDEAC-UHFFFAOYSA-N 429.976 4.484 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCO2 814116954 KPKVFLSQGGIVND-MRXNPFEDSA-N 432.467 4.080 10 20 IICD O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NCc1ccccn1 814773461 SMAVCUQNBBRHJS-MFOYZWKCSA-N 425.560 4.316 10 20 IICD CNC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CCC2 817055647 JLXAEFXXQSECHS-PJCCXHTNSA-N 442.563 4.042 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCc2cscn2)c(OC)c1 913471146 DSGJOADDXLXFCT-UHFFFAOYSA-N 425.554 4.459 10 20 IICD COc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nccn1C 916227539 BYXIPNORWMTSBQ-DEOSSOPVSA-N 447.583 4.350 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnc(Cl)c(Cl)c1 916457423 CLXRWZAERHEVSG-UHFFFAOYSA-N 434.245 4.174 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 916483404 SJIHPTXRZNFPSI-QGZVFWFLSA-N 429.561 4.461 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 918209414 KBRXWTAGFQPOTL-UHFFFAOYSA-N 446.517 4.333 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 918303760 JAVXQHWFQWVMSV-UHFFFAOYSA-N 431.964 4.428 10 20 IICD C[C@@H](NC(=O)NCc1ccccc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 920866857 MZBXBFQFFAEQNB-MRXNPFEDSA-N 437.462 4.025 10 20 IICD Cc1nn(-c2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)c(C)c1Cl 920880294 BZJJXEPNDUBSSR-MRXNPFEDSA-N 438.959 4.470 10 20 IICD C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 920881808 ROYNODMJAZOZCL-KRWDZBQOSA-N 425.529 4.361 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920920239 KADYRBSGLLIFDQ-OAQYLSRUSA-N 436.600 4.416 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)cc1Cl 1318194898 FGJRTUBIRALCPI-UHFFFAOYSA-N 449.941 4.158 10 20 IICD C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 1343058210 ORNNQWTVIYPGAO-OAHLLOKOSA-N 429.927 4.132 10 20 IICD CO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157360 HGYIWSHOVLDQFP-XMSQKQJNSA-N 449.555 4.158 10 20 IICD CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736837 KQLIZTBISPMHIS-SFHVURJKSA-N 436.980 4.421 10 20 IICD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccc(N(C)C)cc1 302051026 CZORZXYANAAUFG-GKWUYRECSA-N 425.617 4.068 10 20 IICD Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)n1-c1ccccn1 726568143 XKRJAOXPNVASSB-UHFFFAOYSA-N 440.494 4.489 10 20 IICD CCN(CC)c1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 726595601 CZWUJJWWTOPRJL-UHFFFAOYSA-N 427.892 4.252 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 727034535 UJFYBTWXUOMPKR-WJMWBRGCSA-N 429.580 4.287 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)ccc21 728637762 PQSMBRUNOUGHLC-UHFFFAOYSA-N 444.915 4.362 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(-c4ccc5c(c4)OCO5)no3)ccc21 728637906 GHLYWEURBRTDKH-UHFFFAOYSA-N 449.463 4.040 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)c1C 729234971 OXMVCKXFJKJXDK-INIZCTEOSA-N 432.480 4.168 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2F)CC1 730133222 MHKAWWPWSUNNPY-UHFFFAOYSA-N 440.441 4.188 10 20 IICD CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 730682410 YBTDCPKOULFZOE-UHFFFAOYSA-N 430.512 4.026 10 20 IICD COc1ccc(NC(=O)c2cc(O)cs2)cc1S(=O)(=O)Nc1ccccc1Cl 731867831 XXGZDKGGSGMNKF-UHFFFAOYSA-N 438.914 4.169 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 732241110 AYVJHHBTSCSSRJ-LJQANCHMSA-N 442.629 4.448 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(CCCc2ccccc2)c1 741097757 XXXQBUPWFBLVFA-UHFFFAOYSA-N 439.559 4.493 10 20 IICD COc1cc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)c(SC)cc1OC 741269882 MAPUSYVZFYIJPO-UHFFFAOYSA-N 429.586 4.368 10 20 IICD CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 741548009 JNQZGTIZMCKIIR-UHFFFAOYSA-N 448.611 4.247 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NC(=S)Nc3ccc4c(c3)OCCO4)C2)cc1 743016059 RUFHNOJQFUMUNM-HNNXBMFYSA-N 435.496 4.015 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCc4c(cccc4N4CCOC4=O)C3)cc2)CC1 743599569 GOHLHDMVWVHJNV-UHFFFAOYSA-N 448.567 4.147 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 743905064 AHQVQKDRBDOCGF-ZDUSSCGKSA-N 441.871 4.057 10 20 IICD Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 745278757 CQZNKVPMEOGJQT-AWEZNQCLSA-N 425.504 4.188 10 20 IICD CCN(CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)C(=O)OC(C)(C)C 745577673 OZXQKWSEINCEAF-UHFFFAOYSA-N 444.620 4.465 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1 749009209 BDSYGBQKVTWUKB-UHFFFAOYSA-N 437.493 4.180 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCc3c[nH]nc3C2)sc(C)c1-c1ccccc1 750720669 JEPFIIIPRZNDSD-UHFFFAOYSA-N 438.553 4.010 10 20 IICD Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751930329 CRDOXOYALCZPQK-ZDUSSCGKSA-N 429.929 4.462 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C(F)(F)F)c1 753262911 AUNWRQIIZGPDCM-UHFFFAOYSA-N 425.426 4.436 10 20 IICD COc1ccc(CCN[C@H](C)c2cc(Br)c(F)cc2O)c(OC)c1OC 756535016 MVPIHUNYXXHXIT-LLVKDONJSA-N 428.298 4.213 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1ccccc1 760350700 NCLBNQAUTSZFFI-UHFFFAOYSA-N 446.595 4.345 10 20 IICD CN(Cc1ccc(O)cc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 760744050 PFQMFQWIMIJKGH-SFQUDFHCSA-N 432.592 4.094 10 20 IICD Cc1nc([C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccccc4Br)c3C)C2)n[nH]1 761067665 KMONVURCZIUJTL-MRXNPFEDSA-N 442.361 4.303 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1C[S@@](C)=O 762932201 UREMJSMPYNQXFB-RUZDIDTESA-N 425.348 4.087 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765498730 IVCBDMGBCVREJX-UHFFFAOYSA-N 435.490 4.273 10 20 IICD C[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCCCCC2)cc1 765730167 UNRZIVNJYBQARM-HSZRJFAPSA-N 436.648 4.110 10 20 IICD CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1Cl 765979219 JMLITHMZEOJILE-HXUWFJFHSA-N 427.397 4.469 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ncccc12 767935319 PBQOYEOROHZAIJ-UHFFFAOYSA-N 434.540 4.164 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)c2)CC1 770145910 BXKQILOBWQTTQD-UHFFFAOYSA-N 436.600 4.199 10 20 IICD CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 778619893 AYRBCPWVGFSJEQ-UYWGQIMJSA-N 435.584 4.222 10 20 IICD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 779491281 MLYLXYPWJOVWDC-LUAWRHEFSA-N 434.448 4.019 10 20 IICD CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784057734 DAHWXSFRHZNGGW-UHFFFAOYSA-N 436.556 4.102 10 20 IICD CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc(C)c1-c1ccccc1 788026471 XUGBGNIGKORATJ-UHFFFAOYSA-N 443.546 4.313 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCc4cc(Br)ccc4C3)CC2)cc1 790283016 CBKDKTPVCYFJNQ-UHFFFAOYSA-N 444.373 4.194 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 792037430 BCFPVNOSVIEDAK-AZUAARDMSA-N 429.511 4.061 10 20 IICD COc1ccc(CNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(O)c1 794379007 LSUFQGZCQRRTCW-UHFFFAOYSA-N 429.270 4.281 10 20 IICD COc1ccc(CNC(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c(O)c1 797638908 XLKLQVSCWZDHCD-UHFFFAOYSA-N 445.317 4.288 10 20 IICD COCCOc1c(Cl)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl 797639993 JQMJTWJGIYDWMG-NSHDSACASA-N 429.300 4.183 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H](OC)c2cnn(C)c2)sc(C)c1-c1ccc(F)cc1 798365846 ZPUYYNMIXJTARX-GOSISDBHSA-N 431.489 4.099 10 20 IICD Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 803911273 SFHPJNPVRVEVEH-AWEZNQCLSA-N 446.459 4.066 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 804758560 IEIWFQGSLMZYCD-QGZVFWFLSA-N 438.524 4.462 10 20 IICD C[C@@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(F)cc1F 805314243 DZIRRAYIBBDTPD-INIZCTEOSA-N 430.495 4.252 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 806101950 WFOWBIZEPUWOOO-UHFFFAOYSA-N 446.356 4.051 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Br 807513163 IIXXIDDPWOWERO-UHFFFAOYSA-N 432.101 4.025 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=N)Nc3ccc(OC(F)(F)F)cc3)cc2F)C[C@@H](C)O1 849069951 XSRPJQUSRINHCP-ZIAGYGMSSA-N 440.441 4.474 10 20 IICD CC(=O)Nc1cccc(OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914324116 OHULIJPEIDNEBG-ATVHPVEESA-N 446.575 4.294 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 917208721 PJIQKBKTQSOIHQ-OAQYLSRUSA-N 447.583 4.037 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 917710222 BTSWJSQZNUBQJW-FGTMMUONSA-N 426.532 4.012 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 918309058 TYJIOLQTTNXCRN-UHFFFAOYSA-N 434.565 4.398 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 919708995 LZXKMMLEGBYTGJ-QHCPKHFHSA-N 435.499 4.067 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(OC[C@H]2CCCO2)c1 919904957 RYGDNIGKPYPBMR-OAQYLSRUSA-N 441.597 4.428 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 920866995 LFPPTWMPRJAJLQ-HZPDHXFCSA-N 437.462 4.100 10 20 IICD COc1ccc([C@@H](NCc2cc(OC)c(OC)cc2O)c2ccc(OC)cc2OC)cc1 1254196314 GFMXKTNKTHBNAK-RUZDIDTESA-N 439.508 4.314 10 20 IICD CN1CCN(c2ccc(CNc3nnc(Cc4cccc5ccccc45)o3)cc2F)CC1 1324978490 IXDYZLSQAMTXLD-UHFFFAOYSA-N 431.515 4.317 10 20 IICD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cc1Cl 1800713614 VNNBCTOXZWHRSZ-MUJYYYPQSA-N 449.334 4.279 10 20 IICD Cc1ccc2nc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)cc(=O)n2c1 29072490 RPNJJTIVCTVPJZ-HXUWFJFHSA-N 432.549 4.338 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 542027324 XHSUHDXNQVZWRQ-HKBQPEDESA-N 435.549 4.491 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)ccc21 548642932 XUFMGLGUZMTWPF-HSZRJFAPSA-N 428.479 4.396 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)CC2)cc1 726713194 KSJGODQHNSCMAS-UHFFFAOYSA-N 425.548 4.467 10 20 IICD Cc1cccc(C2(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCCC2)c1 727034504 UBODARATOIVUNK-UHFFFAOYSA-N 439.575 4.406 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc2F)CC1 730133182 KVNAIARWLXHGTR-INIZCTEOSA-N 434.506 4.148 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 730541342 NXGPLHHUEKYROZ-UHFFFAOYSA-N 428.960 4.182 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1F 731346162 CKZVWOOXMVONEC-UHFFFAOYSA-N 426.536 4.232 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] 731991515 SJEQJPYKVWYMDF-UHFFFAOYSA-N 425.819 4.248 10 20 IICD CN(C)Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)oc2ccccc12 733933385 QVSYOXQLIRUPSF-UHFFFAOYSA-N 443.494 4.495 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 741088339 RGUMXEFFCMLFCX-IBGZPJMESA-N 441.535 4.271 10 20 IICD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 742416554 CABCBKYGBJPCPW-QGZVFWFLSA-N 444.601 4.129 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)NC(=O)OC(C)(C)C)cc1 742753943 MRLJEKDOIPADFF-HSZRJFAPSA-N 437.584 4.166 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)CCS1 742923450 KUUBIEPCTLTOBV-GOSISDBHSA-N 430.595 4.394 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)c1 743884489 ROIHHRMRHWWXDP-UHFFFAOYSA-N 444.535 4.346 10 20 IICD CC(C)CO[C@H](C)c1noc(CN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)n1 744441110 XXRPPSKWFGERTP-MRXNPFEDSA-N 439.512 4.077 10 20 IICD O=C1c2ccccc2N[C@H](c2cc(O)cc(Br)c2O)N1Cc1cccnc1 747039727 FTRWDRLGVIIRQW-IBGZPJMESA-N 426.270 4.022 10 20 IICD Cc1ccc(C)n1-c1nc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cs1 751302064 IMYKGRRCGIZCFA-UHFFFAOYSA-N 428.521 4.442 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)c[nH]1 753136303 DWSNKEUNFPDCCB-WLRTZDKTSA-N 444.868 4.462 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N([C@H]3CCOc4ccccc43)C1=O)OCO2 758818218 BDKCEIRLRXJYHJ-FRSZACSASA-N 427.503 4.149 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC(N3CCN(C(C)C)CC3)CC2)c1C 761123438 MYYZYFPWEHJYAP-UHFFFAOYSA-N 436.644 4.076 10 20 IICD Cc1ccc(CNC(=O)NCc2cccc(Br)c2O)c(OC[C@H]2CCCO2)c1 764797279 LBHCOGUCVZTAQV-QGZVFWFLSA-N 449.345 4.020 10 20 IICD COc1ccc(N2CCC(NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)CC2)cc1 764810607 OHTHAASXKCIWLM-UHFFFAOYSA-N 439.869 4.169 10 20 IICD CC[C@H](C(=O)N1CCC(NC2CCN(c3ccc(OC)cc3)CC2)CC1)c1ccccc1 765524822 KBXKBFLXIMKNLS-SANMLTNESA-N 435.612 4.438 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 765796942 ACXJGZIGCFYEMS-AHWVRZQESA-N 430.596 4.259 10 20 IICD COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772136544 OHWPMFUOVOFEQQ-FQEVSTJZSA-N 438.528 4.352 10 20 IICD CC[C@H](C)[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)Nc1cccc(N2CCCC2)c1 776164683 JPQSHOWXWYEVIB-BXKMTCNYSA-N 441.572 4.153 10 20 IICD CC(C)C[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 776937336 CVWQCEFWWGBPRA-PXNSSMCTSA-N 425.520 4.150 10 20 IICD COc1cc(OC)cc([C@H](NCc2cc(Br)cc(C)c2O)c2nccn2C)c1 777446084 TWSBEJFAGPAMAZ-IBGZPJMESA-N 446.345 4.093 10 20 IICD CC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCN(C(=O)OC(C)(C)C)CC1 784221748 GKHNECLVGDPBOU-UHFFFAOYSA-N 430.593 4.123 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ncn1 786109602 RUSGNNIKKKWMOT-OAHLLOKOSA-N 429.423 4.222 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)cc1 794859492 VDCKYGQINJPMJF-XSFVSMFZSA-N 439.537 4.464 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1 797018981 FWKPHQNOIUZKSJ-LLVKDONJSA-N 445.388 4.189 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1Br 798968064 ABSVPWXUDKLOSZ-UHFFFAOYSA-N 445.401 4.252 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@]4(CCCOC4)C3)cc2Cl)C1 799994831 GOSATDZYFJYOII-PMAPCBKXSA-N 435.996 4.056 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800493657 PFHHMNHHJJFNQC-IRXDYDNUSA-N 436.021 4.335 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802556788 COZPXRMIPNFFCO-UHFFFAOYSA-N 438.940 4.095 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 805544607 LBNIPHMQTBSJGU-UHFFFAOYSA-N 448.519 4.248 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 807403946 TYIUCGCVGYKIJQ-YWZLYKJASA-N 434.378 4.378 10 20 IICD COc1ccc(N2CCCN(c3nnc(CCOc4ccccc4)n3CC(C)C)CC2)cc1 812238833 FZECDVGYGYXBHM-UHFFFAOYSA-N 449.599 4.281 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCC1 815655537 VHRQPGPMCNEJOG-UHFFFAOYSA-N 436.596 4.422 10 20 IICD C[C@H](Cc1cnc2ccccc2n1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 815715809 VOEJMTZQLOUTQN-IAGOWNOFSA-N 440.494 4.195 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)c1 913517300 JMEOLYTYJMEGEG-JMIUGGIZSA-N 434.546 4.296 10 20 IICD CCCCc1noc([C@@H](C)S(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 915363247 UBBYSYHFKIIEBF-QGZVFWFLSA-N 429.542 4.178 10 20 IICD CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 917311294 AQPCAYZEPOZWMZ-UHFFFAOYSA-N 440.341 4.491 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 918304684 STRIWMXOWJDQQM-UHFFFAOYSA-N 442.991 4.384 10 20 IICD COc1ccc(N2CCCN(c3nnc(C4CCCCC4)n3C[C@@H]3CCOC3)CC2)cc1 1519186199 XBBDFFQDLVRCMH-FQEVSTJZSA-N 439.604 4.088 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825795946 CGZVYGQNYJDVKJ-GOSISDBHSA-N 448.972 4.360 10 20 IICD O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cc(Cl)ccc1F 10875782 MANMYJPBUFVKDW-UHFFFAOYSA-N 437.810 4.050 10 20 IICD Cn1cc(/C=C2\SC(NC3CCCCC3)=NC2=O)c(-c2ccc3c(c2)OCCCO3)n1 15661488 GPWATFKKFWVYPV-MOSHPQCFSA-N 438.553 4.141 10 20 IICD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 28336174 HACRRPRYZQOTOY-UHFFFAOYSA-N 449.576 4.042 10 20 IICD Cn1ccnc1SCc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 97576325 APLBJRBGZYCHTR-OAQYLSRUSA-N 437.565 4.239 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc2F)C[C@@H](C)O1 108286253 GROCISFUYQGXER-IYBDPMFKSA-N 442.922 4.208 10 20 IICD CN1CCCc2cc(CNC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc21 195738985 FTWBFHGKXNYFAF-OAQYLSRUSA-N 446.378 4.297 10 20 IICD CN(C)c1ccc(CNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1F 726249509 IMZSACBEHWGHHF-HSZRJFAPSA-N 431.515 4.367 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)c1 726627908 SGOVKZDULWIIMZ-YVLHZVERSA-N 447.534 4.135 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 726847991 QKHJHXDIBUXGGM-CQSZACIVSA-N 426.542 4.333 10 20 IICD O=C1/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC(=S)N1CCc1cccnc1 727864436 WHWRPBPDZMSOHN-GRSHGNNSSA-N 440.981 4.424 10 20 IICD O=C1/C(=C\c2ccccc2OCc2ccncc2)SC(=S)N1CCc1cccnc1 727864468 WSIZGBNVKYMDOC-KGENOOAVSA-N 433.558 4.500 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC3(c4ccc(F)cc4)CCC3)cc2F)C[C@@H](C)O1 728746548 WPDFXLOLOQUTIA-IAGOWNOFSA-N 429.511 4.457 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)c1 729061466 FILCAEPYIRUQDH-GOSISDBHSA-N 432.520 4.392 10 20 IICD CNC(=O)CCOc1ccc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 729443192 ITHIHXSQDLGHMY-UHFFFAOYSA-N 439.943 4.444 10 20 IICD O=C(N/C(=C\c1cccnc1)C(=O)N1CC2(CCC2)c2c(F)cccc21)c1ccccc1 733144394 OVKORBHWQVMJHI-QNGOZBTKSA-N 427.479 4.460 10 20 IICD Cc1ccc(Br)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 741910611 WZFRSRGLYGAWMR-GASCZTMLSA-N 435.337 4.440 10 20 IICD Cc1noc(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(N(C)C)cc2)CC3)n1 741958666 QCWXBSUBVYLKLW-JXAWBTAJSA-N 439.519 4.409 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)n2)s1 743045934 GPSWFZJAHLCUMX-UHFFFAOYSA-N 446.579 4.429 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 743084182 JJEDSPPRBMUPQY-UHFFFAOYSA-N 446.345 4.445 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H](C)C[C@H]2c2ccccc2F)c1 743374687 QYPPKWVCVTYAMB-XDHUDOTRSA-N 426.532 4.149 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Cl)nc(N2CCCC2)c1 743808085 PMYCNKLTQZYYPK-UHFFFAOYSA-N 438.753 4.466 10 20 IICD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 750670113 GBAGSJZPZIISEH-BXGKMRNVSA-N 431.602 4.137 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)C2CC2)cc1 755836444 GKUZJFIGWIJOJJ-UHFFFAOYSA-N 434.515 4.298 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCC[C@H]3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 756526807 GRCQGIAIBLNQJB-JWQCQUIFSA-N 442.625 4.347 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc4c5c(cccc35)CC4)CC2)cc(OC)c1OC 759932135 UCCXIUNMBWECHW-UHFFFAOYSA-N 447.535 4.318 10 20 IICD C[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(N2CCCCC2)cc1 765868653 RVEWXUWPBFORKF-PXDATVDWSA-N 434.628 4.225 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 768341355 HICGYOFDMAKTFP-IAGOWNOFSA-N 428.552 4.099 10 20 IICD COc1ccccc1CSc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 770250789 HKHPKRLEPYFPDO-UHFFFAOYSA-N 449.576 4.308 10 20 IICD CC(C)(C)[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21 770301688 SBDMVJGBONQQAV-KNQAVFIVSA-N 434.584 4.248 10 20 IICD CC[C@@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(F)cc1F 775451817 ZXFLRJPNOWEXPV-ZMPRRUGASA-N 449.517 4.075 10 20 IICD CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Br)ccc1O 775499791 WFONZLOECCMXLO-SCLBCKFNSA-N 441.391 4.207 10 20 IICD CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Br)ccc1O 775499793 WFONZLOECCMXLO-UGSOOPFHSA-N 441.391 4.207 10 20 IICD Cc1c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cccc1S(=O)(=O)NC(C)(C)C 775637460 QZOXEKMHDUVRSV-MRXNPFEDSA-N 432.590 4.021 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)CC2)cc1 776886443 GURJQRVGELHOJU-UHFFFAOYSA-N 438.568 4.309 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(Cc4cccc(F)c4)n3)CC2)cc1 779899856 PVOYQTKOXWQADN-UHFFFAOYSA-N 425.529 4.280 10 20 IICD CCNC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(C)c1 783486223 NDONKFUBMICEKL-SFHVURJKSA-N 444.535 4.060 10 20 IICD O=C(COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Cc1ccccc1 785147130 XWROXYXHPWOYPF-QGOAFFKASA-N 445.587 4.085 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl 785192910 RJGRUEKPQQUEIA-UHFFFAOYSA-N 446.128 4.449 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)cc2)CC1 787321985 LUFGBRUHCAZFOG-UHFFFAOYSA-N 444.579 4.035 10 20 IICD CCOC1CC(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 789688527 MNRFTTIFNAIUNO-LGMDPLHJSA-N 438.640 4.051 10 20 IICD COc1cc(OC)cc([C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)c2nccn2C)c1 793039484 CVSKZCRVHPATFU-OAQYLSRUSA-N 448.489 4.401 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1F 796309943 YZKAJJVPDMRSHC-UHFFFAOYSA-N 448.546 4.129 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(N(C)C)cc1 800626152 GTBGSQAHOZIEHB-CYBMUJFWSA-N 441.425 4.039 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 801550977 GATOGNVARNNMIT-UHFFFAOYSA-N 432.476 4.224 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)c(C(F)(F)F)cc1F 804389766 YEYWBERVEFXAON-UHFFFAOYSA-N 428.401 4.122 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 806855221 CTEZAZJCACUMQK-UHFFFAOYSA-N 439.309 4.419 10 20 IICD COc1ccc(O)c(CN[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 809713137 ZQJBQDMCQHQVKB-SFHVURJKSA-N 433.346 4.065 10 20 IICD CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1O 810215316 CVXDBDJCCZJQAY-FZKQIMNGSA-N 430.492 4.463 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OCC(F)(F)F)cn1 857455918 IYKLZDJWVUSOJY-CYBMUJFWSA-N 445.388 4.023 10 20 IICD COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 857758330 FYBKHCNKEMTEKG-FQEVSTJZSA-N 439.600 4.173 10 20 IICD CN(C)c1cc(F)c([C@@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)cc1F 877856447 SEIOSEWLSNAJGL-HXUWFJFHSA-N 446.498 4.122 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 913093318 PXFOLRAKRNXGRP-UHFFFAOYSA-N 442.440 4.416 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2ccccc2C1 913962281 NWLHREWMZIZXOH-AQTBWJFISA-N 428.604 4.314 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 914506066 WPIPJPNNAWCAFY-QGZVFWFLSA-N 431.577 4.389 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 916671805 SEZHCMYIYAGHKB-UHFFFAOYSA-N 433.556 4.020 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1Cl 916682148 UOWCLFUXZMEQEQ-OKILXGFUSA-N 449.910 4.201 10 20 IICD CN(Cc1ccccc1O)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 917309885 JCTABJIRWFHDRT-UHFFFAOYSA-N 442.475 4.354 10 20 IICD CC(C)N(C)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F 918296043 VWGXLUWKHMLZAS-UHFFFAOYSA-N 439.487 4.136 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 919655384 QOSAYSKUQXEVMW-UHFFFAOYSA-N 446.551 4.384 10 20 IICD C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 919792048 MXQYIVFOWWURCT-LJQANCHMSA-N 425.573 4.087 10 20 IICD Cc1cc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1cccc(Cl)c1 919981877 AXPPGTGLGUDSDW-HSZRJFAPSA-N 436.899 4.054 10 20 IICD Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920881498 NTPQFOBTWIIHGP-SFHVURJKSA-N 449.551 4.127 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(Cc2ccc(Cl)cc2)n1 1115842125 RKPMJQOBFPECJT-UHFFFAOYSA-N 441.984 4.496 10 20 IICD Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 10199899 BFKDCFKWGURXTE-UHFFFAOYSA-N 447.457 4.432 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 24779503 QWLNUKOLYRQHMV-UHFFFAOYSA-N 431.492 4.016 10 20 IICD CNS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1C 303048736 XQYYORJUWPNHBR-UHFFFAOYSA-N 431.945 4.216 10 20 IICD CSc1cc2c(cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)OCCO2 726078574 LKHMULKOMZOVLX-MRXNPFEDSA-N 430.526 4.098 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NC(Cc1ccccc1)Cc1ccccc1 726235864 HGIPWFUVJMBMTL-UHFFFAOYSA-N 429.564 4.176 10 20 IICD Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2cccnc12 726601956 WDKIIMKGKHYJEU-UHFFFAOYSA-N 447.507 4.092 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(C)n1-c1nccs1 727864057 QTDZSMRJDKWASD-BOPFTXTBSA-N 426.592 4.390 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc21 728471278 ZSFHNMUUYGQZJM-IBGZPJMESA-N 435.568 4.232 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cc2)CC1 731116985 MCSBHJJVCKXXDZ-XMMPIXPASA-N 434.584 4.086 10 20 IICD Cc1cc(C(=O)NCc2nnc(S)n2C(C)C)c(C)n1-c1cccc(Br)c1 731229709 PSGJTVRULDBINZ-UHFFFAOYSA-N 448.390 4.248 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3cccc4cccnc34)c2C)cc1 731453122 DGZPPEWSBISFBJ-UHFFFAOYSA-N 428.540 4.242 10 20 IICD Cc1noc(C)c1[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 733764780 PFIDPKDFLHQYDD-SAIXKJTDSA-N 435.596 4.212 10 20 IICD CC(C)c1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1cccc(F)c1 735516890 AENRGCOBHRSNRZ-HXUWFJFHSA-N 438.503 4.057 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)cc21 737380942 XDQUJVSUSDBFHE-UHFFFAOYSA-N 427.551 4.218 10 20 IICD O=C1CCC(=O)N1Cc1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 743126167 YHRAIFLEENCZNO-UHFFFAOYSA-N 435.524 4.408 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Cl)ccc1I 743719557 GVSKDQOQAWTJKO-UHFFFAOYSA-N 441.696 4.459 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nnc(-c2ccccc2)o1 743808030 NEUAMPMDTTZECV-UHFFFAOYSA-N 430.302 4.186 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)CCCN2C 745788858 SYUCLQPHPQJWAC-UHFFFAOYSA-N 432.362 4.269 10 20 IICD CC(C)CCOC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745903874 JNWSOYVSAZJIDV-GOSISDBHSA-N 439.547 4.494 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 753637377 UKPHLFHJRNFBSW-LBPRGKRZSA-N 430.913 4.426 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 755492896 LSOFEALBOXUFTC-LLVKDONJSA-N 425.254 4.354 10 20 IICD C[C@H](NCc1cn2ccccc2n1)c1cc(Br)cc(Br)c1O 756360474 DNCJNMDPAWFMRK-JTQLQIEISA-N 425.124 4.416 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 756890252 VKUISCKSTZKVPT-UHFFFAOYSA-N 443.547 4.072 10 20 IICD C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)cc(Cl)c1O 756895697 XCOBDTZYFMOTKW-SNVBAGLBSA-N 438.709 4.380 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2F)C[C@H](C)O1 758796106 PWPHCQBNJRQGOJ-RYUDHWBXSA-N 445.844 4.437 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O 761093923 WFMGVTANOJEVBE-QHCPKHFHSA-N 447.514 4.022 10 20 IICD C[C@H](c1ccccc1)N1CC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O 761158624 KTPVFNZJDCNQCZ-MRXNPFEDSA-N 429.467 4.282 10 20 IICD COc1cc(Cl)cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1O 761198004 LDIFZKJAKNUIMS-UHFFFAOYSA-N 430.854 4.199 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(Cc4nc(-c5ccccc5)n[nH]4)no3)ccc21 761935550 YYWQFFHNGUURPM-UHFFFAOYSA-N 428.496 4.330 10 20 IICD O=C(c1ccccc1Cl)N1CCC(NCc2ccc(N3CCSCC3)cc2)CC1 765077726 DVOWAMRINYXGMD-UHFFFAOYSA-N 430.017 4.288 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(SC(F)F)cc1 765980162 QIMXKZRLIPJZGL-HNNXBMFYSA-N 426.554 4.087 10 20 IICD CN(C)c1ccc(N2CCC(N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)cc1 765993848 NJSYYGGMAGOSCK-QFIPXVFZSA-N 443.035 4.335 10 20 IICD COc1ccc2c(c1)CCCCN2Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 766273791 ZOVZLCQXLRMESJ-UHFFFAOYSA-N 425.485 4.114 10 20 IICD CN1CCO[C@H]([C@H](NCc2ccc(N3CCSCC3)cc2)c2ccc(Cl)cc2)C1 769014456 YGAKLNIQZVOADJ-XZOQPEGZSA-N 432.033 4.055 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(CCOCc2ccccc2)CC1 770491014 MYXGAHANVMLATH-UHFFFAOYSA-N 437.584 4.052 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(F)cc(C(F)(F)F)c3)SC2=S)cc1 772800175 HIPOIKUNVNRVSH-AUWJEWJLSA-N 426.416 4.349 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccccc1Cl 776474843 IYCZNTRNTWXRNY-GOSISDBHSA-N 425.916 4.361 10 20 IICD COc1ccc(O)c(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 777481513 JWWRMDWYRZOACY-XMMPIXPASA-N 425.550 4.300 10 20 IICD O=C(c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)c1cccc(O)c1 780958316 KHCVAHZRBHIGSR-QHCPKHFHSA-N 431.488 4.150 10 20 IICD COc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423569 ATSCIQJHIFWYBY-UHFFFAOYSA-N 441.915 4.175 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C 784026276 VENCRXXIBGUQEX-UHFFFAOYSA-N 439.556 4.030 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cn1 790106390 GRJDBAZTQFXCFL-NBVRZTHBSA-N 445.635 4.158 10 20 IICD CN(C)c1ccc([C@@H](CNCc2nccn2-c2ccccc2)NC(=O)OC(C)(C)C)cc1 790982233 SPOYSPHGKRUQPF-JOCHJYFZSA-N 435.572 4.294 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc(-c2ccccn2)s1 791246781 RQVAFLQAUIWQQJ-UHFFFAOYSA-N 438.553 4.207 10 20 IICD O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 798113673 QLCFSZAXYKCWBF-SLFFLAALSA-N 445.357 4.401 10 20 IICD Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)C 807408790 UAXTYFGOQCHSCS-ZYKOEDHHSA-N 425.573 4.083 10 20 IICD C[C@@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 807624870 RULGGSQEBUOPBG-YKSBVNFPSA-N 429.564 4.073 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1 808356453 ZLNCYWQEHNYDLT-HXUWFJFHSA-N 444.579 4.431 10 20 IICD Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 914612843 BMRLUWYYJGGBKR-UHFFFAOYSA-N 442.313 4.356 10 20 IICD CCCCc1nnc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 916668603 HXROHPJQXAWLIV-UHFFFAOYSA-N 443.495 4.058 10 20 IICD Oc1ccc2ccncc2c1CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 917433680 SNXGONYEOKMLEH-HNNXBMFYSA-N 427.430 4.382 10 20 IICD O=C(CCCOc1ccccc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918323939 QTZSYLADMZFBLJ-UHFFFAOYSA-N 440.437 4.157 10 20 IICD CCCn1nccc1C1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 410251971 LHXURNVJAFFPIO-UHFFFAOYSA-N 447.627 4.421 10 20 IICD Cc1ccc2c(C3=CCN(c4ccc(S(N)(=O)=O)cc4C(F)(F)F)CC3)c[nH]c2c1 462773130 FPIRPWMQZJDNEI-UHFFFAOYSA-N 435.471 4.436 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(N(C)C)nc4ccccc34)ccc21 465082761 CBGPBNDXXDSAHH-UHFFFAOYSA-N 430.552 4.449 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)n(C)c2ccccc12 554644367 IEGJSOUUCGMIHQ-SFHVURJKSA-N 426.520 4.042 10 20 IICD CCOC(=O)c1ccc(N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)nc1 726960786 FTUKJLYSRRNTNI-UHFFFAOYSA-N 431.492 4.186 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCc2c(Br)cccc21 727842561 ZFRFKHJTDNSVQC-FQEVSTJZSA-N 446.414 4.489 10 20 IICD COc1cccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c1O 729859876 YQZQXARYOJNIIN-UHFFFAOYSA-N 425.916 4.439 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)cc2)CC1 731049655 INRMTVRRXMRZPB-UHFFFAOYSA-N 444.620 4.369 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1F 731346762 UOEUGTGOIRXOAY-UHFFFAOYSA-N 447.501 4.119 10 20 IICD COc1cc(Cl)c(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC 731509965 DRUBEIJQVNKAJZ-UHFFFAOYSA-N 428.872 4.199 10 20 IICD COc1cc(C)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 733842729 XLSDXTPWYASWQP-ZDUSSCGKSA-N 449.484 4.025 10 20 IICD C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Oc1ccccc1F 743677430 DGCAFLDXKIWUQR-CVEARBPZSA-N 437.462 4.163 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)c2C)c1 749343598 VBRXSJJBGYMHRL-UHFFFAOYSA-N 430.508 4.015 10 20 IICD Cc1cc(N2CCC(NC(=O)N(Cc3ccccc3O)C3CCCCC3)CC2)nc(C)n1 749616808 UNIDYFLFSINKAR-UHFFFAOYSA-N 437.588 4.312 10 20 IICD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 751238303 DISLSXXLKDHFGY-UHFFFAOYSA-N 435.977 4.269 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(OC(F)F)cc1 751931297 MWWHIIOUQUPJHJ-GFCCVEGCSA-N 447.463 4.102 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1F 752470896 INLVFLCEYGUQBZ-NSHDSACASA-N 436.370 4.139 10 20 IICD Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753641083 YHVDVUVVVXCYIB-GFCCVEGCSA-N 448.350 4.497 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 756077734 SYSUOJNNIIYSCZ-RDPSFJRHSA-N 434.584 4.119 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)ccc1[N+](=O)[O-] 759162535 YBTRCFBCFZKTAQ-UHFFFAOYSA-N 431.904 4.243 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H]3CCc4cc(Cl)cc(Cl)c43)cc2)CC1 760329851 LZOXUXVGTHKKIN-LJQANCHMSA-N 425.381 4.005 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccnc(Cl)c2I)cc1 763927154 VMGGCMHJIVNWCI-UHFFFAOYSA-N 443.716 4.116 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(Cc1cccs1)C1CC1 769667073 KPBUJFWVEDYTGE-UHFFFAOYSA-N 434.564 4.121 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CCc1ccccc1)C1CC1 769735712 NXMKMEGKFDTMFB-UHFFFAOYSA-N 442.562 4.102 10 20 IICD O=C(Nc1cccc2ccncc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769981565 IEPYEUXVHOERTE-UHFFFAOYSA-N 425.491 4.055 10 20 IICD CO[C@H](C)c1nc(CN2CCCN(Cc3cccc(Br)c3O)CC2)cs1 770288441 LVBAYOZSPKRCCT-CQSZACIVSA-N 440.407 4.027 10 20 IICD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1C 771134674 SHHNMJYIIZURNZ-UHFFFAOYSA-N 449.554 4.050 10 20 IICD COc1ccc(O)c([C@H](C)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1 775557809 KWHNVMFAEPTVBD-INIZCTEOSA-N 432.476 4.249 10 20 IICD COc1cc(O)c(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 775653815 BZTLRUAAZVUVLG-INIZCTEOSA-N 425.312 4.319 10 20 IICD Cn1cc(-c2ccc(F)c(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)cn1 782314590 TZWGRXVUAFUNRF-KRWDZBQOSA-N 444.457 4.226 10 20 IICD Cc1ccccc1-c1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2cnn(C(C)C)c2n1 782625654 BSCYDMYFEZXKQV-UHFFFAOYSA-N 445.475 4.439 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc2ccsc12 785196637 SYOAYKHYUMAIHY-UHFFFAOYSA-N 433.327 4.357 10 20 IICD COCCCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 792040388 RXFYKGXEQIWNHU-HSZRJFAPSA-N 443.563 4.144 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 792232888 WZRPXMXCWQMTNO-SFHVURJKSA-N 446.389 4.208 10 20 IICD O=S(=O)(Cc1ccc(Cl)c(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 795092572 HQUNPFAJVBWFOS-UHFFFAOYSA-N 448.894 4.169 10 20 IICD Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc(O)c(O)c2)c(Br)c1 799025151 MFXIGDAPCREXEX-YOCVDRLZSA-N 446.341 4.390 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1sc(N2CCOCC2)nc1-c1ccccc1 799556788 HLUJZHKMRLWXRV-UHFFFAOYSA-N 448.592 4.177 10 20 IICD O=C(N[C@@H]1CCOC2(CCCCC2)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 808118390 DGUPHGIFXLIVGQ-HXUWFJFHSA-N 428.573 4.052 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1 809144503 NVHQTTINVPDXFI-YBFXNURJSA-N 433.526 4.403 10 20 IICD CN(Cc1ccccc1O)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccs1 812355181 XQWWZZUQHXVFGI-NRFANRHFSA-N 434.521 4.242 10 20 IICD CCOC(=O)c1c(NC(=O)c2nc3nccc(C)n3n2)sc(C)c1-c1ccc(F)cc1 829927461 CHWZAEWUCOAPOH-UHFFFAOYSA-N 439.472 4.038 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccccc1Br 917931810 QQFMWTPLBGRJEJ-UHFFFAOYSA-N 440.297 4.440 10 20 IICD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293718 DTOZLHLHMFHZIG-UHFFFAOYSA-N 436.508 4.459 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3N3CCCC3)cc2F)C[C@H](C)O1 919907140 AHXZKCBGAFWRKL-OALUTQOASA-N 440.563 4.039 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 1323191556 OIBZMKWNYZUXGX-UHFFFAOYSA-N 439.556 4.324 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c(C)n1-c1cccc(F)c1 1339033104 LCBVYBFMJAOSER-OAQYLSRUSA-N 434.467 4.109 10 20 IICD C/C(=C\c1cccs1)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1785817194 NLOKQLYHGAAQSZ-NTCAYCPXSA-N 449.532 4.406 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1)c1cc(O)c(O)c(Cl)c1 1803519812 UDRJLABJVPLTHG-BJWYYQGGSA-N 440.927 4.194 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nc(-c3ccsc3)no2)cc1 302772737 RKIOFDUDHXRCSV-FQEVSTJZSA-N 440.569 4.005 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(=O)CCN(C)C)cc3)ccc21 303221463 VHKMEGYYCSDFKF-UHFFFAOYSA-N 436.556 4.047 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)CC2)cc1 726713138 KGIVKMANWNAEHL-HSZRJFAPSA-N 433.556 4.395 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1Cl 726985874 RDDJVZCCJUCXFN-SXGWCWSVSA-N 439.967 4.158 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@H](C)NC(=O)C2CCCC2)c(C)n1-c1cccc(F)c1 727201504 ZPAUDOGWSOHJGO-HNNXBMFYSA-N 428.504 4.044 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(NC(=O)Oc4ccccc4)CC3)c2C)cc1 727404638 DDSPVHGQGMCRNO-UHFFFAOYSA-N 447.535 4.496 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 728835531 DCHDFAVXMXHRPA-UHFFFAOYSA-N 444.535 4.025 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 728839243 JFRRRFVHGYDSDX-GOSISDBHSA-N 433.474 4.235 10 20 IICD Cc1cc(CC(=O)NCC2(N3CCCC3)CCOCC2)c(C)n1-c1ccc(Cl)cc1 729440587 ITPQCZAMFYHPST-UHFFFAOYSA-N 429.992 4.051 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc(-c2ccccc2)cs1 730580453 RURWSJGMYUAQPM-INIZCTEOSA-N 440.544 4.346 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 731044822 QTNBBIUOFLYFCO-RUZDIDTESA-N 449.526 4.260 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)c1 732704288 NMVKAFVEDFDRKV-QGZVFWFLSA-N 434.492 4.104 10 20 IICD Cc1cc(CC(=O)NCCNC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(Cl)cc1 732944004 YJFLHLUAOKCXTI-UHFFFAOYSA-N 445.897 4.114 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccc3C(F)(F)F)cc2F)CC1 741927175 NRONJOGURWUIIF-MRXNPFEDSA-N 437.481 4.406 10 20 IICD CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 743901021 UOSXWXXWCWTUTH-UHFFFAOYSA-N 435.524 4.093 10 20 IICD CCCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccccc1 746146959 IHUQTJRVFJCJGI-HXUWFJFHSA-N 427.564 4.142 10 20 IICD C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)c1ccc(N2CCOCC2)cc1 747366733 LFNUULUOPFZJTH-KRWDZBQOSA-N 441.622 4.350 10 20 IICD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 748441920 DIIBATXZAQOXLS-UHFFFAOYSA-N 438.597 4.106 10 20 IICD O=C(NCc1ccccc1O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 748459913 KZKGTAFGPCYSMZ-UHFFFAOYSA-N 427.863 4.436 10 20 IICD Cc1cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 752367813 WVRCFPNUPTXXGD-CEWLAPEOSA-N 438.572 4.255 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1 753419155 JWLCOIQFIRIILL-HXUWFJFHSA-N 427.451 4.469 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)CC2)cc1F 753886729 SJHKJXCDDGGJLC-UHFFFAOYSA-N 429.883 4.028 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3cc(C)ccc3O)c2)cc1 756583647 PKNBNFLCUDZHCG-QGZVFWFLSA-N 426.538 4.361 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)cc1F 757261264 OWNIRKMPXYYONL-UHFFFAOYSA-N 439.453 4.422 10 20 IICD C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758815705 SFXVQSKLHSDNTJ-HGHGUNKESA-N 433.499 4.068 10 20 IICD Cc1coc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2)n1 759032978 SRIZTKBGEPIJNU-UHFFFAOYSA-N 432.524 4.141 10 20 IICD CC[C@@H](Cc1ccccc1Br)NC(=O)NCc1ccc(N2CCOCC2)cc1 759732677 UIJJPJILAXEMEN-IBGZPJMESA-N 446.389 4.106 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(F)c1I 760000574 COHGMRIMACBSHE-UHFFFAOYSA-N 427.261 4.126 10 20 IICD CCO[C@@H]1C[C@H](N[C@H](C)c2cc(Br)cc(Br)c2O)[C@]12CCCO2 760881066 NHMPWEIUSYBKGB-PMKSDBMWSA-N 449.183 4.294 10 20 IICD CC1CCN([C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2cccs2)CC1 760947368 FIQAFOHHFFTWHI-GOSISDBHSA-N 447.988 4.345 10 20 IICD COc1cc(Cl)cc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)c1O 761198915 WWVNGOCYRBQMGY-JTQLQIEISA-N 428.710 4.439 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1 762734958 NXJHDEVOBFTCKI-DNVJHFABSA-N 429.605 4.181 10 20 IICD CC(C)(C)c1noc(-c2ccccc2C(=O)NCc2cccc(Br)c2O)n1 765758225 UHJQKVDBTUKBGM-UHFFFAOYSA-N 430.302 4.432 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](c3ccco3)c3ccccc3OC)CC2)cc1F 769203771 RYOQGYLYZJHUNY-QHCPKHFHSA-N 439.487 4.057 10 20 IICD CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1 769516003 HHKIXEIAQLLDLB-OAHLLOKOSA-N 432.537 4.246 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 769732742 IZGMRAPCAJAKBD-LJQANCHMSA-N 428.558 4.207 10 20 IICD Cc1cccnc1[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(C)C 769857930 AUVSOZLKKQJLOB-IBGZPJMESA-N 445.566 4.085 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(Cc2cccc(F)c2)n1 781015887 YZQHKXLNAVNYPM-UHFFFAOYSA-N 448.903 4.047 10 20 IICD Cc1ccccc1-c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n(C)n1 782895884 HBKFXRBTPPABLH-UHFFFAOYSA-N 446.551 4.401 10 20 IICD CCc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1Cc1ccc(F)cc1 786768424 ZYNPRLWCPPVLPB-UHFFFAOYSA-N 435.547 4.290 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 786873557 BEHWCYXXMCMBHT-UHFFFAOYSA-N 436.530 4.392 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 794852980 IEIMHNZNLNVTQH-UHFFFAOYSA-N 447.501 4.414 10 20 IICD CCOc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 796393521 DOVMQNALSXJNNJ-UHFFFAOYSA-N 443.613 4.472 10 20 IICD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)NCCCSc2nccs2)cn1 797476039 LHFAKPLCVPHAFV-UHFFFAOYSA-N 436.006 4.424 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(Cc4cscn4)CC3)cc2Cl)C1 799994303 PVAXFKJYGZSZFR-QGZVFWFLSA-N 448.036 4.060 10 20 IICD COC(=O)[C@@H]1CC12CCN(C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)CC2 800719960 PTTWLNOZQQFTRT-AEFFLSMTSA-N 433.980 4.061 10 20 IICD COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)O1 801600327 OITLIPXAOWPKBW-XXMUNEJQSA-N 436.512 4.224 10 20 IICD C[C@H](CC(C)(C)c1c[nH]c2ccccc12)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 812719545 UQLLSZYAOIGDNZ-LJQANCHMSA-N 439.625 4.249 10 20 IICD Cc1cccc(CN(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1C 816788360 DMGAXEDISZJTNZ-UHFFFAOYSA-N 430.551 4.144 10 20 IICD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1 916194321 TXVSDICQSRWLHL-SFHVURJKSA-N 446.931 4.098 10 20 IICD CCOc1cc2c(cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)O[C@@H](C)C2 916672990 ANPPCBVQMFONPR-QFBILLFUSA-N 426.513 4.327 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2ccc(F)cc2)[nH]n1 917380676 KWNLPENMGIHCQW-UHFFFAOYSA-N 448.420 4.001 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccc(F)cc1 917714804 OVITUITWPZDAKM-HZPDHXFCSA-N 440.494 4.003 10 20 IICD Cc1cccc(-n2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2C)c1 917715366 PTFPXGWJSWQCBN-ROUUACIJSA-N 436.531 4.172 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)cc1 917752104 RUKOKMGRMZISKO-UHFFFAOYSA-N 448.566 4.189 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(COc2ccccc2)c1 918019191 WLXUTDKEKHSPFO-UHFFFAOYSA-N 445.563 4.444 10 20 IICD C[C@@H]1CCc2c(sc(NC(=O)CSc3ncc(-c4ccccc4)n3C)c2C(N)=O)C1 918060755 PXRGHVDAFUTEMF-CYBMUJFWSA-N 440.594 4.103 10 20 IICD COCC(=O)Nc1cccc(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 918069998 XJXVMXJUTJZPFR-UHFFFAOYSA-N 425.916 4.262 10 20 IICD COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(C)C 920872695 WYYRHQVOCBDBQL-RBUKOAKNSA-N 441.572 4.440 10 20 IICD COCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1123723620 TWMFYUZBFYLOCD-UHFFFAOYSA-N 446.956 4.420 10 20 IICD COc1cc(N2CCN(C(=O)c3[nH]c4ccc(C)cc4c3Cl)CC2)cc(OC)c1OC 1320163989 DPPSJYBTADVCDP-UHFFFAOYSA-N 443.931 4.118 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc3nc(C)oc3c2)nc1-c1ccccc1 1320651284 VPLFMLSPKKIIPT-UHFFFAOYSA-N 443.506 4.237 10 20 IICD COCCS(=O)(=O)c1ccc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc1 1322659594 DVFANNGMCMUZCX-UHFFFAOYSA-N 437.521 4.231 10 20 IICD O=C(c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740592 SCERSFPDYPXTQS-FQEVSTJZSA-N 442.943 4.298 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)c2ccsc2)cc1 98077706 KRMZDPHMYBVKQW-UHFFFAOYSA-N 437.565 4.176 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 105375096 HUJDVVJHQNWBPE-MRXNPFEDSA-N 432.362 4.188 10 20 IICD C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Br)cc1 302833595 PNWUYEJGVLAZJL-JXFKEZNVSA-N 447.373 4.013 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@@H](c4ccccc4Cl)C3)ccc21 669917117 KBSFYYYBWKMSSI-JOCHJYFZSA-N 425.960 4.345 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccccc2Br)C1 725864569 QVKPCCVOQJGPCI-OAQYLSRUSA-N 444.373 4.332 10 20 IICD CCN1CCc2nc3ccccc3c(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)c2C1 726561394 SKICWEUVMXQPKH-UHFFFAOYSA-N 444.579 4.020 10 20 IICD O=C1CCc2cc([N+](=O)[O-])c(NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2N1 726594723 OAMNWWCIMRBINX-UHFFFAOYSA-N 432.427 4.162 10 20 IICD COc1ccc(N2CCC(N[C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1 726603932 CCDIVJPGXNNQCB-SANMLTNESA-N 429.564 4.311 10 20 IICD Cc1cc(CC(=O)N2CCCN(Cc3cscn3)CC2)c(C)n1-c1ccc(Cl)cc1 727404739 LDIFUDVAWSHPEK-UHFFFAOYSA-N 443.016 4.481 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)ccc21 728637777 PXZNSDPLJDMBGA-UHFFFAOYSA-N 428.916 4.031 10 20 IICD CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 729575822 PFDCNDYLPZITAX-HOTGVXAUSA-N 431.508 4.168 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)CC1 731131720 KZPVCDLZBWBYHC-UHFFFAOYSA-N 442.563 4.164 10 20 IICD CCOc1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC 734011009 AMKSBWYTUOSQBW-UHFFFAOYSA-N 449.498 4.164 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(Cc2ccccc2F)n1 735463085 AHQSCEJSZVYDEQ-UHFFFAOYSA-N 427.570 4.356 10 20 IICD Cc1cc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 735481539 AMTKGAYCQLXJGU-UHFFFAOYSA-N 431.945 4.049 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)ccc21 740828031 CYCNIWKQTIOAMP-IERDGZPVSA-N 443.588 4.280 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)c(F)c1 742271371 KUXBBGUJFGMZDZ-UHFFFAOYSA-N 441.366 4.399 10 20 IICD CN(c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)C1CCCCC1 742417129 VCUBCCYKSZOUIC-UHFFFAOYSA-N 425.485 4.065 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCN1Cc1ccccc1 742798560 PMFCIWNOFFMEAK-SIKLNZKXSA-N 429.511 4.038 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCOC2=O)c1 743091819 QYTMXDNBEZUCLO-UHFFFAOYSA-N 434.290 4.165 10 20 IICD CCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 745083019 WIKCJFKJKVXGPL-CQSZACIVSA-N 444.443 4.260 10 20 IICD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 745267723 PTVKNATXDZNREQ-UHFFFAOYSA-N 436.556 4.194 10 20 IICD C[C@@H](c1ccccc1Br)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 746213918 CJEFNKWOAFCSLK-INIZCTEOSA-N 432.362 4.188 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)ccc1F 747859470 YUSILKNRABJSKP-UHFFFAOYSA-N 440.905 4.498 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccccc3OCC(F)(F)F)CC2)cc1F 753865305 JLRVWJIKSUFGHM-UHFFFAOYSA-N 427.398 4.130 10 20 IICD COc1cc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc(OC)c1OC 759872003 GAAGVEWUNNTSFT-UHFFFAOYSA-N 443.931 4.343 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 760890360 HPCACTJZSBVNQF-UHFFFAOYSA-N 436.325 4.033 10 20 IICD O=C(Cn1c(C2CCCCC2)nc2ccccc21)NCc1ccc(N2CCOCC2)cc1 761384833 LYPUAXCMKRSMNC-UHFFFAOYSA-N 432.568 4.237 10 20 IICD Cc1ccc(Cc2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)cc1 761567197 NWEPDZMCMPDYSU-UHFFFAOYSA-N 427.507 4.204 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc2ccccc2c1Br 763281537 VQKHHOYJVFBUJH-CYBMUJFWSA-N 430.298 4.140 10 20 IICD COC(=O)CCSc1cccc(NC(=O)NCc2cccc(Br)c2O)c1 765317463 CZQUADPOHPBBDC-UHFFFAOYSA-N 439.331 4.132 10 20 IICD Cc1nc(CN2CCC(CN[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)CC2)oc1C 765933093 VXSNSNJAZQTYRU-SFHVURJKSA-N 447.023 4.344 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCCCC1 766400385 DXMIKAQPVHEMOV-UHFFFAOYSA-N 439.579 4.165 10 20 IICD O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 767920635 QXVNMWHMSFQQFW-QGZVFWFLSA-N 427.455 4.469 10 20 IICD CC[C@@H](Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1)c1ccc(C)cc1 771065631 GCRJDHKESFINCC-FQEVSTJZSA-N 448.567 4.014 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc(N(C)C)cc1 773615386 WVCPHBQMYQLTSQ-XLIONFOSSA-N 434.540 4.164 10 20 IICD C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(Cl)c(Cl)cc1O 774354485 BCKGXXAXBLXQJR-LLVKDONJSA-N 433.332 4.229 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nc1-c1ccccc1 775209042 QNRFKHDJBMEWND-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H]1Oc1ccccc1 776532811 HDIPQHJHASBANS-QPTUXGOLSA-N 436.508 4.322 10 20 IICD CCN(CC)CCCC1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 782720010 XYSYLINBUFFWJV-UHFFFAOYSA-N 430.637 4.208 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 784027398 PPJMHKCGMZUDDY-UHFFFAOYSA-N 448.567 4.312 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ccc(Br)s3)C3CC3)cc2)C1 784040491 GBOXDEMLWHVOKX-JXFKEZNVSA-N 448.430 4.453 10 20 IICD Cc1cnc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 787442099 NWHNGYAAGXDJGB-UHFFFAOYSA-N 428.842 4.221 10 20 IICD C[C@@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(N2CCOCC2)cc1 788740613 BVJLWGHDYYBABV-MRXNPFEDSA-N 439.462 4.480 10 20 IICD CSC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1 790080128 PSOWXUQHUIJZDW-SDNWHVSQSA-N 426.654 4.131 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790562668 ZVCDTPUWQNEFSS-GMAHTHKFSA-N 434.584 4.206 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@]4(C)[C@@H](C3)C4(Cl)Cl)cc2F)C[C@@H](C)O1 790671515 HFOURZGLZIMIJS-WMTXDGDDSA-N 444.378 4.165 10 20 IICD CCCOc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 792881617 LRGWIZQDXFRTKN-UHFFFAOYSA-N 443.563 4.310 10 20 IICD COc1ccc(CNCc2cc(Br)cc(Br)c2OC)c(O)c1 793387207 APSJWBYKDOHUGK-UHFFFAOYSA-N 431.124 4.224 10 20 IICD O=C(CN1CCC(CNC(=O)C(F)(F)F)CC1)Nc1ccc(N=Nc2ccccc2)cc1 799173772 YQZNFNQXPIEUKT-UHFFFAOYSA-N 447.461 4.431 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCOCC3CCOCC3)cc2Cl)C1 799933695 XDWXWFNQUHHCNZ-GOSISDBHSA-N 438.012 4.209 10 20 IICD CCOC(=O)c1c(NC(=O)Cn2cnc(C(F)F)cc2=O)sc(C)c1-c1ccccc1 813579529 FSYKSDKNVZCRTR-UHFFFAOYSA-N 447.463 4.033 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1O 814177373 ZUTXRIIVVRSDDT-PXAZEXFGSA-N 426.391 4.290 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)sc2n1 815180809 CZFDNMLCJWKFBY-XJKSGUPXSA-N 427.501 4.153 10 20 IICD CC(C)(C)NC(=O)CN1CCC(CN[C@@H](CCc2ccccc2)c2ccccc2O)CC1 815586907 VIHKUBXVQOHVAH-DEOSSOPVSA-N 437.628 4.282 10 20 IICD O=C(CCc1nc(O)c2c3c(sc2n1)CCCC3)NCc1ccc(N2CCCC2)cc1 915082232 WEIKZUHTLOLDDG-UHFFFAOYSA-N 436.581 4.125 10 20 IICD Cc1ccccc1-n1ccnc1SCC(=O)NCc1ccc(N2CCSCC2)cc1 917386568 BYEIJVHQXYBYBP-UHFFFAOYSA-N 438.622 4.142 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnc4c(c3)c(C)nn4-c3ccccc3)CC2)cc1 917822109 CEOHUNUCEXPEFO-UHFFFAOYSA-N 441.535 4.090 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 918024126 VPYIHEMECUBDEP-UHFFFAOYSA-N 425.466 4.224 10 20 IICD CCOc1c(Cl)cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 918235847 WZPUXAAGQCROQV-GOSISDBHSA-N 448.947 4.344 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3C[C@@H](C)c4c(C)ccc(O)c43)CC2)cc1 1116565271 NEYHRZPNTJYNMM-UTKZUKDTSA-N 428.598 4.301 10 20 IICD Cc1ccc(Cl)cc1N1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1251727564 UXTFQKORPGJMNS-FQEVSTJZSA-N 430.999 4.155 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc[nH]2)cc1 1796231664 BGTJIUDZMRQLSO-RHHYMUMYSA-N 444.579 4.307 10 20 IICD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CCC1 1823709869 QDQOVNMXGDEIHE-GOSISDBHSA-N 434.964 4.175 10 20 IICD O=S(=O)(c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1)N1CCCCC1 17317707 PESBRHGLBVDPOE-UHFFFAOYSA-N 427.614 4.141 10 20 IICD O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccc(N2CCOCC2)cc1 105404486 URUBBOPTFYYQNY-WSUXWNOTSA-N 447.417 4.263 10 20 IICD O=C1CN(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c2ccccc2N1 109622412 YPRKWMKTOCPOHS-UHFFFAOYSA-N 446.454 4.190 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1=O 110357483 QLDAUIYFEGFMQY-VQTJNVASSA-N 449.595 4.347 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(C)n1-c1ccc(C#N)cc1 303144207 DJVMQJQWBMURNA-UHFFFAOYSA-N 432.549 4.016 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 542942186 NVTORFSPOAKMBL-UHFFFAOYSA-N 448.498 4.253 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 725868764 YLTLLXFFBXCVMV-LPHOPBHVSA-N 437.437 4.036 10 20 IICD CN(CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)OC(C)(C)C 727895390 SQOKJGSUGOYGBB-UHFFFAOYSA-N 426.473 4.451 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 730663520 KZKWGEQPAVIYKQ-DEOSSOPVSA-N 440.632 4.362 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnn1-c1ccc(F)c(Cl)c1 731164479 DYWWVVBEZIHLRV-UHFFFAOYSA-N 427.911 4.239 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1F 731402958 AEDRLKPIOOBRBO-UHFFFAOYSA-N 449.530 4.319 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cn3)SC2=S)cc1 733813543 UTLLCWVGYSTJHR-DHDCSXOGSA-N 449.351 4.427 10 20 IICD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NCc3cc(OC)ccc3O)s2)cc1 734070630 XKKBPUVIAITQTA-CQSZACIVSA-N 427.526 4.402 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 734701810 IWIFMUQPSPZMEC-UHFFFAOYSA-N 447.379 4.354 10 20 IICD O=C(NCc1nc(Cc2ccccc2)no1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737262683 VOATZGBPFCUURC-UHFFFAOYSA-N 440.463 4.331 10 20 IICD CN(c1ccc(CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1)C1CCCCC1 742415967 GEVNGGXAQORLSR-UHFFFAOYSA-N 434.584 4.019 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)cc1 743475250 PUQLGDCDQUSAQG-QFIPXVFZSA-N 445.510 4.051 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccco1)N(CC)CC 745784302 RTKSPDIQWYTTPC-KRWDZBQOSA-N 438.366 4.362 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OCCN2CCCC2)cc1 745813360 BEAGWVQUXFXPJQ-UHFFFAOYSA-N 438.616 4.347 10 20 IICD CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C2/SC(=S)NC2=O)cs1 745997803 LUFLVHRKSGZAFD-WUXMJOGZSA-N 429.470 4.335 10 20 IICD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 746762121 LREGMUIDTIKSFT-IAGOWNOFSA-N 426.536 4.332 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cccc1C(=O)Nc1ccccc1 748451007 MLPRQLSKQPHXEH-UHFFFAOYSA-N 444.535 4.406 10 20 IICD Cc1nc(O)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1-c1ccccc1 749912240 XBHZGSRQMCKJTI-IRXDYDNUSA-N 449.526 4.445 10 20 IICD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 751076383 GAVPMCQXBNXVKX-FPOVZHCZSA-N 425.573 4.159 10 20 IICD CC1(C)C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc21 751135919 BAWZFQJVBLMHIB-UHFFFAOYSA-N 428.554 4.146 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 751146640 JVSYIUODYDUZHJ-HXUWFJFHSA-N 430.552 4.451 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 751306374 VPVXCTGVQNMAPM-UHFFFAOYSA-N 439.523 4.175 10 20 IICD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 752003746 CGXWLHQTLSGPHV-IXDOHACOSA-N 444.507 4.216 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)cc2)CC1 752966835 MEKKABZNLUPISH-LJQANCHMSA-N 433.556 4.457 10 20 IICD COc1ccc(N2CCN(CCN[C@H](c3cccnc3)c3ccc(F)c(C)c3)CC2)cc1 753641734 ZYOMCAYJPQDWCB-SANMLTNESA-N 434.559 4.039 10 20 IICD COc1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3Br)CC2)cc1F 753739801 KVINGWRXZLVVNF-UHFFFAOYSA-N 432.293 4.041 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccc(Br)cc1 755643835 OESGNLQZEYSKBA-UHFFFAOYSA-N 442.313 4.005 10 20 IICD O=C(N[C@H](c1cccc(F)c1)c1ccccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 766294017 GSXDXLDDWKLLEV-XUZZJYLKSA-N 435.499 4.407 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767303546 HMGXUPWXVXQNOX-IBGZPJMESA-N 433.474 4.241 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1SC(F)F 768916311 PACMIYDFPZCUAB-CQSZACIVSA-N 427.904 4.150 10 20 IICD COc1cc(Br)cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c1O 769224665 WVEVPZAVRFXWIP-UHFFFAOYSA-N 443.345 4.328 10 20 IICD C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccc(N2CCOCC2)cc1 771254427 WOTUDBSZTVQOBH-AWEZNQCLSA-N 437.765 4.359 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 772049287 WWYQLRFXAZMSSG-UHFFFAOYSA-N 444.539 4.330 10 20 IICD COc1ccc(O)c(CN[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 777483452 QZLRYNFBYWPKMS-JOCHJYFZSA-N 431.941 4.337 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(N)cc1 783484537 FELKZSQRXPEHPL-KRWDZBQOSA-N 442.519 4.350 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 783504361 JWQWEWBXKIYRIK-QWFCFKBJSA-N 435.584 4.319 10 20 IICD CCC1(CC)Oc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2O1 787485406 BLXNENKDAJCVAR-UHFFFAOYSA-N 443.519 4.396 10 20 IICD C[C@@H](NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1ccc(N2CCOCC2)cc1 788715662 ZVNFLSCHEQXYMU-OAHLLOKOSA-N 441.482 4.085 10 20 IICD Cc1ccc(-n2ncc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2C(C)C)cc1 792235828 DADOAUPECXAHQE-UHFFFAOYSA-N 446.551 4.143 10 20 IICD COc1cccc(C(=O)CCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 794238496 LMZHBGDCHFSMEN-QZTJIDSGSA-N 442.531 4.117 10 20 IICD Cc1noc(C2CCN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)CC2)n1 799994555 QLVNALKNXWJCCP-HNNXBMFYSA-N 431.968 4.357 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Cc3cncc4ccccc34)cc2F)C[C@@H](C)O1 805167373 DVIYEUBJBJIMRO-GBESFXJTSA-N 435.543 4.483 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)c1ccc(N(C)C)cc1 805308955 INXMLMCANVCQRI-NZQKXSOJSA-N 436.600 4.127 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)c(Br)c(Cl)c1 806722418 XFQKYHCQAKFYMX-UHFFFAOYSA-N 442.716 4.400 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 807914200 DIJJWQLELYHVJL-TZIWHRDSSA-N 447.501 4.182 10 20 IICD COc1ccc(CN[C@H](C)c2cc(Br)cc(Br)c2O)c(OC)n1 810261762 YRNDXNVFMWJVEU-SECBINFHSA-N 446.139 4.180 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@](CO)(c4ccccc4)C3)cc2Cl)C1 813159223 XVQLXOTZSQAFGP-UQBPGWFLSA-N 442.003 4.422 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2F)CC1 813860060 DNLXFBJOHOLLLF-HYBUGGRVSA-N 429.555 4.364 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1 815406423 HXRBUVRXYHMOBY-OAQYLSRUSA-N 447.535 4.017 10 20 IICD CC(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCO1 819417001 NECOTWUOUMBQEI-WLSWZUKCSA-N 438.640 4.003 10 20 IICD CC(=O)N[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(C)cc1 914456095 PDTNCYYALYVWCK-RUZDIDTESA-N 433.552 4.450 10 20 IICD CC(C)NC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 914718650 NHIALWYHVNBSIL-CYVLTUHYSA-N 442.563 4.042 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1ccc(Br)cc1 915267808 SYNAKFIAGKZSJM-MRXNPFEDSA-N 442.361 4.005 10 20 IICD COc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916025668 JGYHEZSNIUSQOI-UHFFFAOYSA-N 425.476 4.037 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 916252916 JSBXBGDXGSKMRC-UHFFFAOYSA-N 434.584 4.255 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(Cc2ccccc2)s1 916668527 BNEGEYJZYKOAPI-UHFFFAOYSA-N 425.583 4.004 10 20 IICD CCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 916680782 OSNJKFACBJTPMV-IYBDPMFKSA-N 428.508 4.110 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 917619413 KFZSZSMICRRACS-MHWRWJLKSA-N 435.958 4.209 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 917698123 MQUGTOFQLOONFZ-UHFFFAOYSA-N 447.560 4.291 10 20 IICD COc1ccc2oc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c(C)c2c1 917708755 FXNHZZWOZDYEAL-GJZGRUSLSA-N 426.488 4.433 10 20 IICD COc1cc(-c2ccccc2)sc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917836688 RGAGMWZYSNRTOM-LJQANCHMSA-N 449.576 4.055 10 20 IICD Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(C)n(-c3ccccc3Br)c1C)C2 918048467 VICGNNUXXLRFNM-KRWDZBQOSA-N 439.357 4.242 10 20 IICD CCCOCc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918216856 UPOPVWXFTISPBC-KDURUIRLSA-N 443.563 4.365 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OCc2ccccc2)cc1 919970563 LZDRJKRVBCYKOP-UHFFFAOYSA-N 434.511 4.296 10 20 IICD C[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920867126 NZZRKHSSSGQQMX-LEWJYISDSA-N 436.600 4.191 10 20 IICD C[C@H]1CCCN(Cc2csc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)C1 920869458 YIGAVNPNALCYQA-ZWKOTPCHSA-N 443.617 4.094 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(OC[C@H]2CCCO2)cc1 920964929 QUPNYTVLJKQZMM-LJQANCHMSA-N 427.456 4.272 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1 1261211658 DAHOTXUBUMIHCV-OAHLLOKOSA-N 443.345 4.086 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)CC2)cc1 1320951170 XRLQOZOEFSYNMM-UHFFFAOYSA-N 439.556 4.072 10 20 IICD C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 237524384 LDJUPQXGFCAEFL-OAHLLOKOSA-N 439.453 4.188 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 301687541 QPJQPAXDNMRYBW-DEOSSOPVSA-N 430.504 4.076 10 20 IICD CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 302997267 MHHUKRXQMQBVAI-UHFFFAOYSA-N 435.572 4.001 10 20 IICD O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCc2c1cccc2[N+](=O)[O-] 513836644 KWILHZVWTVZXKZ-UHFFFAOYSA-N 425.448 4.436 10 20 IICD COc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1OCC(F)(F)F 726456685 KUMKWXOZHZQFQL-UHFFFAOYSA-N 427.492 4.449 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)Cc3cccc(Br)c3)CC2)cc1 726613486 FXUPERVMQVTXIG-INIZCTEOSA-N 446.389 4.357 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(C)n1-c1ccccn1 728216544 AQHGBWXGOMOGDJ-IBGZPJMESA-N 449.530 4.302 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(I)cc2C)c1 729037582 ZQAFCZPYXROLLS-LLVKDONJSA-N 426.254 4.197 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1 731859166 UBSJDIQJGVURAI-FUHWJXTLSA-N 448.357 4.438 10 20 IICD C[C@H](Oc1ccccc1Br)C(=O)NCc1ccc(N2CCSCC2)cc1 732758532 PTHPVEFQGRYOGH-HNNXBMFYSA-N 435.387 4.086 10 20 IICD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCCSc1nccs1 733884261 OOMNXHBXBMRRET-UHFFFAOYSA-N 426.976 4.237 10 20 IICD CC(C)c1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1-c1cccc(F)c1 735464355 WHKIYNGFSBGHIN-UHFFFAOYSA-N 439.560 4.013 10 20 IICD Oc1cc2c(cc1CN[C@@H](c1ccc3c(c1)OCCO3)c1ccccc1Cl)OCO2 742383023 RTBRAYQSZYRDEL-QHCPKHFHSA-N 425.868 4.425 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)CO1 745592908 MJUXOCPKPJYGPZ-XXBNENTESA-N 425.598 4.220 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 747536852 HHMDRAOMMSTKNN-ZCNNSNEGSA-N 438.572 4.020 10 20 IICD Cn1c(SCC(=O)N(Cc2ccco2)Cc2ccccc2O)nnc1-c1cccs1 752086582 MHPGYEYERBDXHJ-UHFFFAOYSA-N 440.550 4.163 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1cccc(F)c1)C1CCCC1 757178434 ZCSBRHHHZFDDSJ-UHFFFAOYSA-N 429.511 4.456 10 20 IICD O=C(NCCCSc1nccs1)N1CCc2c(Br)ccc(F)c2C1 758584136 UKASIAZUWNCALA-UHFFFAOYSA-N 430.368 4.295 10 20 IICD COc1ccc(C(=O)CCCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 759369292 GMHBVIXITHBBBF-UHFFFAOYSA-N 426.582 4.308 10 20 IICD Cc1cc(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c[nH]1 762906313 HEUIGGOKEVZPOM-UHFFFAOYSA-N 433.291 4.437 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c2ncccc12 768011062 NJXOJAYBLWSGCG-UHFFFAOYSA-N 445.475 4.100 10 20 IICD COc1cc(O)c(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC 768444655 MXCVVODULVVGEL-OAHLLOKOSA-N 429.904 4.492 10 20 IICD COC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 769011560 YBQIUEYMLHJJEE-UHFFFAOYSA-N 430.464 4.186 10 20 IICD Cc1cc(C(=O)CN2CCOC3(CCOCC3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 769229127 WVIMPZRCUOEZLT-UHFFFAOYSA-N 448.510 4.150 10 20 IICD COc1ccc(NC(=O)Cc2noc(-c3ccc(-n4c(C)ccc4C)cc3)n2)cc1OC 771033831 CWCKDFZPFFAZNC-UHFFFAOYSA-N 432.480 4.343 10 20 IICD CC[C@@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccc(N(C)C)cc1 773002543 WGDRTDQHOWOLQO-JOCHJYFZSA-N 425.573 4.115 10 20 IICD CC[C@@H](CSC)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 773972051 JCYQSOOYPCIIHI-JMRXEAOASA-N 428.670 4.330 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c2ccccc12 774126072 JSOHHOGGARLQQS-UHFFFAOYSA-N 440.341 4.265 10 20 IICD C[C@H](NCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc(N2CCOCC2)cc1 775257987 NVXHFIBQAMANLO-SFHVURJKSA-N 436.581 4.012 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3cc(OC)ccc3O)[C@@H](c3ccco3)C2)cc1 775370485 VQDLTUTXGHWWCW-KSFYIVLOSA-N 449.507 4.031 10 20 IICD COc1ccc(-c2nc(NC(=O)CN[C@H](C)c3cc(OC)ccc3O)sc2C)cc1 775371530 ZSCAQEQPWAVBQH-CYBMUJFWSA-N 427.526 4.131 10 20 IICD CCN(CC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1)C(=O)OC(C)(C)C 776239561 ULMUQKIFPJEQPR-GOSISDBHSA-N 432.609 4.492 10 20 IICD CC(C)N(Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)C[C@@H]1CCCCO1 781897127 CLGVVXKMAZBHKG-QFIPXVFZSA-N 441.572 4.242 10 20 IICD Cc1ccc([C@@H](CCn2cncn2)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 783221955 JXGFFMRWZMCFLW-JXALWOEJSA-N 437.563 4.260 10 20 IICD COCCOCc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783482511 HVXCUUZXCYXCAG-IBGZPJMESA-N 447.535 4.165 10 20 IICD COc1cc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1OC 783484683 FVVJFRBAEFCQMG-QGZVFWFLSA-N 433.508 4.327 10 20 IICD CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 795547201 GHJOYSQOCSIQDY-UHFFFAOYSA-N 434.514 4.164 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 799452631 PUMVBAVRZCSMMI-ZVZYQTTQSA-N 444.576 4.469 10 20 IICD COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 802188523 MGIOQVDYJDEVBJ-UHFFFAOYSA-N 446.463 4.022 10 20 IICD CCOC(=O)[C@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 802300367 FOKVGJHKDLKQHI-JTHBVZDNSA-N 426.532 4.058 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 802610199 VDIAMCYKGYONGV-UHFFFAOYSA-N 426.847 4.414 10 20 IICD O=C(N[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1)c1ccccc1 807837649 ZFKSRUDRKQMUHV-LJQANCHMSA-N 429.303 4.487 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@H]1OCCc2sccc21 813871673 QCNMCIPHSYDUTP-KPZWWZAWSA-N 439.375 4.450 10 20 IICD CN(Cc1cccs1)c1ccc([C@H]2NC(=O)c3cc(N4CCOCC4)ccc3N2)cc1 877848381 LMKZXLWGYZEPSV-HSZRJFAPSA-N 434.565 4.075 10 20 IICD Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 914485803 ZRAXXFCZMHCYMK-GOSISDBHSA-N 425.598 4.312 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2)n1 915067263 JPAVWUNRAREARH-UHFFFAOYSA-N 429.524 4.386 10 20 IICD CC(C)N(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(N(C)C)cc1 917075111 QHFWQTCDIMUMME-UHFFFAOYSA-N 431.964 4.416 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3ccccc3C(F)(F)F)cc2F)C[C@@H](C)O1 917200592 GNWJZVWOEOPDDL-GASCZTMLSA-N 440.437 4.153 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cc2F)C[C@H](C)O1 917708355 AMUYEMPLDXLCPY-GJZGRUSLSA-N 445.585 4.483 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)c(C)n1-c1ccccc1Br 918069666 RZWOIFSYZQCRGS-INIZCTEOSA-N 431.330 4.031 10 20 IICD Cc1ccc(OCCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918207822 JSGJTCXTTCMMDK-PMACEKPBSA-N 443.563 4.406 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(F)cc1Br 919895353 JKKBVBYZOLHRFP-UHFFFAOYSA-N 432.337 4.373 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1c2ccccc2Oc2ccccc21 919970414 AJFNPVHQFOFWTO-UHFFFAOYSA-N 432.495 4.341 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3nccc4c(Br)cccc34)cc2)C1 1254028434 ZQOGLKUGLPHFEB-INIZCTEOSA-N 439.357 4.311 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccc(Cl)s4)C3)CC2)cc1 1322197489 LZILKACXLXFAJW-GOSISDBHSA-N 435.977 4.162 10 20 IICD CCO/C=C/C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1791741295 NMTQHEPNIOOBIV-DHZHZOJOSA-N 430.888 4.049 10 20 IICD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)nc1 1800513890 ZCYBEKPOVRKANV-VILGAWFOSA-N 442.563 4.363 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(C2CC2)cc1 1800718476 VLNKIJBGPOXACT-REPLKXPHSA-N 440.927 4.194 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCn2c(S)nnc2-c2cccs2)cc1 24187613 BDTAPBHVFXZYBM-UHFFFAOYSA-N 429.615 4.190 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc3c(c2)c(C)nn3C)cc1 97037316 GLGYDYSGGSKWTE-UHFFFAOYSA-N 429.524 4.198 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1 107530054 NLEYLIFMYUABKJ-UHFFFAOYSA-N 437.503 4.204 10 20 IICD COc1ccc(N2CCC(NCc3ccc(OCc4ccncc4)c(OC)c3)CC2)cc1 237574621 IGQAYQGYMFAVTE-UHFFFAOYSA-N 433.552 4.436 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 248085356 WIJHTPHSVKGFII-UHFFFAOYSA-N 434.367 4.372 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)ccc21 409453215 NINFMRYIXJUEKI-OAQYLSRUSA-N 433.552 4.030 10 20 IICD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)oc12 559487518 JVKCMXGHMQJKBB-INIZCTEOSA-N 433.508 4.125 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 725866113 CHAVPMSSFPWXPK-UNMCSNQZSA-N 447.501 4.269 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)CC2)cc1 726708896 GXYNPWXIUHPVCM-RUZDIDTESA-N 436.600 4.109 10 20 IICD Cc1cccc(N2CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)c1 726718743 OTZDJYMPJKWNHS-UHFFFAOYSA-N 444.526 4.097 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 727157663 OIVNXMWXTNXHBK-QFIPXVFZSA-N 439.556 4.046 10 20 IICD Cc1noc(CNC(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)n1 727225947 SPBPVSHWKAGVEB-KRWDZBQOSA-N 433.434 4.373 10 20 IICD CCSc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 728959659 IQZYYKZHYLAZOC-INIZCTEOSA-N 431.577 4.459 10 20 IICD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 730417053 LFAADSVYKDGEKB-UHFFFAOYSA-N 442.609 4.001 10 20 IICD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731015172 REDIPRSCHGVLFT-FQEVSTJZSA-N 435.634 4.186 10 20 IICD Cc1ncc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1 732865759 DGZUWTCXXRYNNN-FNORWQNLSA-N 438.505 4.070 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1F 740496154 ULCQBAQHUIJRMX-UHFFFAOYSA-N 440.563 4.163 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cc1F 741096353 ZDTNFPHBPRDLPI-UHFFFAOYSA-N 429.561 4.322 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1COCc1ccccc1 741097397 PWCOXQCTTKYGNR-UHFFFAOYSA-N 441.531 4.035 10 20 IICD CCSCC[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 742959590 RRPCMEATDQHPNA-MLJWKTOOSA-N 428.670 4.377 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N(C)C)c(F)c2)nnc1-c1ccc(Cl)cc1 746798660 MOQVKXDYOFTHLV-UHFFFAOYSA-N 447.967 4.232 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(F)c(F)cc1Br 749903940 PFBLCDDSRJVLCM-UHFFFAOYSA-N 427.314 4.211 10 20 IICD O=C(N[C@H]1CCSc2ccccc21)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751058674 IWLYGVAQZLCULM-INIZCTEOSA-N 446.575 4.221 10 20 IICD CCOc1ccccc1[C@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)NC(C)=O 751303559 ZSFASRTYFWALLF-FQEVSTJZSA-N 443.507 4.001 10 20 IICD CCSc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 752296501 REKWGNRGNMGXFG-MRXNPFEDSA-N 431.989 4.084 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(F)c1C(=O)OC 752712865 DXUSTCDVTSGBHZ-UHFFFAOYSA-N 425.254 4.134 10 20 IICD C[C@H](NC[C@H]1CSCCS1)c1cc(Br)cc(Br)c1O 756649929 SJEWACJPQMWNAB-WPRPVWTQSA-N 427.227 4.416 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3ccnc3[C@@H](O)c3ccccc3)c2C)cc1 763176846 ZKJNONSNIVJYAN-DEOSSOPVSA-N 443.503 4.042 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(C)CC2(C)C)sc(C)c1-c1ccccc1 766999483 MMSTYAKRQNVRCK-UHFFFAOYSA-N 443.613 4.255 10 20 IICD O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1C(F)(F)F 768012440 LXCZFPCFUVRVPP-UHFFFAOYSA-N 439.503 4.038 10 20 IICD COc1cc(Br)cc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c1O 769234574 VYIPODDZYJONJL-UHFFFAOYSA-N 437.309 4.153 10 20 IICD CCCn1c(CO)nnc1SCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 769873656 HSOSPRVXULLHCA-UHFFFAOYSA-N 436.940 4.355 10 20 IICD COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)OC(C)C 770358073 JGCLOMYZKLJKAY-DVECYGJZSA-N 441.572 4.058 10 20 IICD O=C(CCN1CCCCC1)Nc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1 770546826 UUHCYLUUAYBPAX-UHFFFAOYSA-N 432.908 4.380 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)c2C)c1 777836884 UBMKNINJOLEHNA-UHFFFAOYSA-N 431.536 4.252 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC3 778629396 GPJJTLYTTBWONJ-UYAOXDASSA-N 432.568 4.231 10 20 IICD C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 780276102 CJQMMRSTLUQGQH-VXGBXAGGSA-N 446.381 4.173 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1Br 783315118 UQACKFKBINQAEU-UHFFFAOYSA-N 436.325 4.030 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N)cc1 783484529 FBVPVBQXLAHNNQ-MHECFPHRSA-N 445.519 4.169 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 784107175 PTTLEXYBYSFODZ-UHFFFAOYSA-N 427.455 4.245 10 20 IICD Cc1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nc1 789865534 PSWWHUXSBDQKGM-BOPFTXTBSA-N 431.608 4.092 10 20 IICD C[C@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3cc(C(C)(C)C)on3)cc2Cl)C1 790332327 OBUIAUBBRUJPFQ-HNNXBMFYSA-N 440.009 4.481 10 20 IICD OCCn1nc(-c2cccnc2)cc1NCc1ccc2c(c1)CCN2Cc1ccccc1 796357020 AEEPQPDRJCVIQZ-UHFFFAOYSA-N 425.536 4.112 10 20 IICD COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)cc1F 797073803 DUPROYNYSQLNGV-UHFFFAOYSA-N 448.420 4.001 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C)c2cc(Br)cc(C)c2O)s1 797139890 KGTCOIZZYNQVJU-IJLUTSLNSA-N 441.395 4.191 10 20 IICD CSc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 799186661 FXSLIDYYVADHJK-UHFFFAOYSA-N 446.579 4.310 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 800700423 DYTFCEYURAJINP-HSZRJFAPSA-N 446.016 4.094 10 20 IICD Cc1sc(NC(=O)c2ccnc3c2nnn3C)c(C(=O)OC(C)C)c1-c1ccccc1 800830658 AUQRNVHSFSKEQX-UHFFFAOYSA-N 435.509 4.218 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 807639721 FOTCSGBXHOWXMD-UHFFFAOYSA-N 448.567 4.146 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc2ccccc2cc1Br 809549187 FTHPRNGSZJYZEW-UHFFFAOYSA-N 440.341 4.106 10 20 IICD Cc1cc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812393898 KUMMWWOBDHIJRH-PZJWPPBQSA-N 449.599 4.393 10 20 IICD C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(N(C)C)cc1 814321306 IWCRFCYOAUUHAU-SFHVURJKSA-N 430.593 4.246 10 20 IICD C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCO)c2C1 914531432 RHYPYJMDZBCTIJ-FBKQIBBUSA-N 429.564 4.488 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 917712400 YBCGBYGRJOQBJO-OWCLPIDISA-N 447.532 4.145 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3cc4c(s3)CCCC4)cc2F)C[C@@H](C)O1 918220405 XJCIOQJUXZIUCX-HZPDHXFCSA-N 431.577 4.379 10 20 IICD CNC(=O)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 918313410 QZKRBPHTJYSGBI-UHFFFAOYSA-N 429.480 4.059 10 20 IICD COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4ccc(N5CCOCC5)cc4)CC3)c2c1 919790074 FRPBVVLSCZVESU-UHFFFAOYSA-N 446.551 4.012 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(Cl)n1 1123429481 QNWGKIIJNCYPKW-UHFFFAOYSA-N 428.842 4.221 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1cccc(F)c1F 1319629770 WFTNYUPFFAEJEB-BOPFTXTBSA-N 436.480 4.346 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)CC2)cc1 1323193530 QJHOCESLZJETHH-UHFFFAOYSA-N 427.520 4.171 10 20 IICD C/C=C/C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811273897 SRJLZXUTATYTCT-KNFWRMDSSA-N 442.563 4.385 10 20 IICD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c(O)c1 1846789462 GBLSZQPXDJQMOI-UHFFFAOYSA-N 443.547 4.239 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4ccc(Cl)cc4)[nH]c3=S)CC2)cc1 108226651 MAEVOZGVRWUAHV-UHFFFAOYSA-N 429.977 4.439 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 108281967 XWMUMSMNWWBBPN-BETUJISGSA-N 425.426 4.092 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 108291112 FLJYWORTUUWMCJ-CALCHBBNSA-N 437.515 4.262 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(C)n1-c1ccccn1 108478655 SSJIOFCRHHEBDJ-QGZVFWFLSA-N 437.931 4.028 10 20 IICD Cc1c(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)n(C)c2ccccc12 527183782 FPVDBYMVQJWPFK-YADARESESA-N 432.499 4.206 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(SC(F)F)c3)cc2)C1 727597572 ICKASJZQNHCMMW-HNNXBMFYSA-N 434.512 4.025 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2c(c1)C[C@@H](C)O2 728439275 GOBBTLYMDYJLRT-KZKLBEMASA-N 426.563 4.490 10 20 IICD CC[C@@](C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 730759841 RCOBZCFTSCWFMR-RUZDIDTESA-N 428.444 4.425 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3oc4ccccc4c3CS(C)(=O)=O)cc2)CC1 731015290 LXVIUNTWPZYZQH-UHFFFAOYSA-N 440.565 4.144 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(Sc2ccccc2)CCCC1 731684363 XONKOZCQBQZPOP-UHFFFAOYSA-N 425.598 4.428 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC(C(=O)Nc3ccccc3)CC2)c1O 738021483 IJBXZEMNNUXCAI-UHFFFAOYSA-N 430.504 4.180 10 20 IICD Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 738982031 AZIQRCMPEIQKEV-XRODADMRSA-N 448.611 4.380 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804403 YALHIOPCNJRMFD-HOTGVXAUSA-N 434.458 4.421 10 20 IICD C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C(=O)N1c1ccccc1 743954980 NEDSSRVSUOPIMX-VGOFRKELSA-N 441.491 4.351 10 20 IICD C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NCCC(N)=O)c2C1 744595081 XOCGOLPYTWMVSH-KAKMCVKYSA-N 442.563 4.029 10 20 IICD CC[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Oc1ccccc1Cl 748960620 PPRFMYBQUVUYPO-NRFANRHFSA-N 445.991 4.206 10 20 IICD C[C@H](N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)C(F)(F)F 749773586 YWCMJNGMNQGMDF-HNNXBMFYSA-N 433.434 4.136 10 20 IICD Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C(=O)N(C)C 751554706 DHUPCLOOPWYGFU-QGZVFWFLSA-N 446.498 4.089 10 20 IICD CC(C)OC1CCC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 752663879 IIAUASNBKQPTHO-UHFFFAOYSA-N 425.520 4.292 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)c2C)c1 753015885 DOLDOZJEQIBIFY-DEOSSOPVSA-N 430.552 4.027 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3cncc(SCc4ccccc4)n3)cc2)C1 754051652 GGHLOKIVRVMJOJ-FQEVSTJZSA-N 433.581 4.083 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc1 754365192 XISNHJQPLMTNQL-UHFFFAOYSA-N 440.588 4.336 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 754921263 KBEICAYHCVJGBK-UHFFFAOYSA-N 438.915 4.190 10 20 IICD O=C(O)[C@H](CNCc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccccc2)cc1 756309427 WTNDGFCRJBURLJ-VWLOTQADSA-N 430.548 4.223 10 20 IICD C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756774848 LQOYELYXJVVGQS-YGRLFVJLSA-N 447.142 4.311 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1CC(C)C 757905045 PNNZNQZYPJRWDH-IRXDYDNUSA-N 431.556 4.176 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(C(F)(F)F)nc1 761900731 JCCGRQLRWMFRLD-UHFFFAOYSA-N 448.367 4.278 10 20 IICD O=C(Cc1cc(-c2ccccc2)on1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761983034 QDPMNLOPFQPDQM-IBGZPJMESA-N 425.916 4.024 10 20 IICD CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CCC2 765228429 GKNFKTLDLJXZQH-FVJLSDCUSA-N 443.567 4.094 10 20 IICD C[C@@H]1CN(Cc2cccc(CN[C@H](C)c3ccc(N4CCOCC4)cc3Cl)c2)CCO1 765326826 WHIWCHGIKDXEHZ-WOJBJXKFSA-N 444.019 4.248 10 20 IICD Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3cccc(Br)c3O)cc12 765729162 YROUNFWERNUKAK-UHFFFAOYSA-N 437.297 4.127 10 20 IICD CC(C)N1CCN(c2cccc(NC(=S)Nc3ccc4c(c3)OCCCO4)c2)CC1 767915128 OSWHDLLCVNFPTC-UHFFFAOYSA-N 426.586 4.187 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c(C)n1-c1cccc(C(C)C)c1 770173266 LTHUTNBBZAUNTI-QHCPKHFHSA-N 444.535 4.220 10 20 IICD COc1ccccc1-c1csc([C@H]2CCCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 773341905 AFLFGMKJCIHDON-YCRPNKLZSA-N 438.549 4.330 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F)c1ccc(N(C)C)cc1 773850253 YMZSMKSGCYQLFU-CQSZACIVSA-N 444.507 4.055 10 20 IICD CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(Br)cc(Br)c1O 775726218 QZHGFMQNHQPWFE-QFIPXVFZSA-N 447.192 4.287 10 20 IICD CC(=O)c1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(F)c1 777406633 GVNBHRJZNCPCPN-NRFANRHFSA-N 443.519 4.090 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 779350428 LETKNLFSTFBDOI-UHFFFAOYSA-N 447.360 4.467 10 20 IICD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1(C)C 781036249 PXPYZCQREXHXGY-SWWFSWNPSA-N 433.593 4.028 10 20 IICD COc1ccc(C[C@H](C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 781162750 OPAYNXAXVCFNNO-WMZOPIPTSA-N 448.510 4.269 10 20 IICD CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 783017108 OPLCAYGGRQSDHE-HZPDHXFCSA-N 427.504 4.097 10 20 IICD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784059882 SFRZPEIJZIWXBY-UHFFFAOYSA-N 434.540 4.230 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C)c1ccc(N)cc1 787559292 CNUUCFAOCMFQCH-MRXNPFEDSA-N 445.548 4.464 10 20 IICD C[C@@H](O)CSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 788097316 IMYMEHVPRJPHAT-VCRXTVNUSA-N 447.507 4.212 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1cc(C)cc(C)c1 791250574 SMUOIQPPKSZVPO-UHFFFAOYSA-N 426.557 4.461 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(O)ccc1C(F)(F)F 793348467 ZZJZISHDLXDEOU-UHFFFAOYSA-N 430.373 4.411 10 20 IICD COC(=O)Cc1csc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 800000393 DAZPXDVEERCNMZ-CYBMUJFWSA-N 436.965 4.070 10 20 IICD O=C(Nc1ccc(OC(F)F)cc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1 802570311 MKKSOANKVXFWGW-UHFFFAOYSA-N 436.430 4.433 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1F 807292564 SWIBTGMPYBGUKZ-UHFFFAOYSA-N 443.522 4.047 10 20 IICD CN(C)C[C@H](NCc1cc(Br)cc(Br)c1O)c1ccc(F)cc1 809769971 OQRRFGBXNJFCGO-INIZCTEOSA-N 446.158 4.449 10 20 IICD CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N[C@]2(C)CCOC2=O)cc1 813296728 XYLYRXQWFCVHPW-WVDYZEMSSA-N 441.531 4.223 10 20 IICD C[C@@H](NCc1cccc(N2CCOCC2)c1)c1cc(Br)cc(Cl)c1O 815639063 MRGJSCBNYGXJDD-CYBMUJFWSA-N 425.754 4.496 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncccc1OCC(F)(F)F 857455982 KDZZFFXSVCXITP-CYBMUJFWSA-N 445.388 4.023 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccccn1)C1CC1 914445700 LGANIUHDZOCIQW-QGOAFFKASA-N 443.619 4.316 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 915264859 ITNBLDGBGRGOLF-OAQYLSRUSA-N 446.389 4.131 10 20 IICD CCCCOc1ccc(-c2nnc(CN(C)Cc3ccc(N4CCOCC4)cc3)o2)cc1 917020472 OXIBXKIINOCOBQ-UHFFFAOYSA-N 436.556 4.384 10 20 IICD Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccc(Cl)cc1 917901162 SKKDWURGFSEBQC-UHFFFAOYSA-N 431.945 4.250 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)F 918207392 WUZCYHLWEUJEQQ-INIZCTEOSA-N 433.499 4.057 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(c2ccc(F)cc2)CCCC1 918211317 JMWSSIKLDJORQI-UHFFFAOYSA-N 443.538 4.237 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(N2CCCCCC2)cc1 918219636 MEABZGVADYLWLH-UHFFFAOYSA-N 440.563 4.489 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Cl)c2ncccc12 918308977 AZFQOPWHPFMLPC-UHFFFAOYSA-N 436.943 4.476 10 20 IICD C[C@@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccc(N2CCOCC2)cc1 920888554 PLLXKZVANGMZLJ-CQSZACIVSA-N 428.330 4.258 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)CC2)cc1 1319496563 OCNPPGOGUZVXKR-UHFFFAOYSA-N 427.520 4.171 10 20 IICD Cc1cc(-c2nnc(-c3ccc(N4CCCS4(=O)=O)cc3)o2)c(C)n1-c1ccccc1 1322661385 WJPQXLSDFKSBKQ-UHFFFAOYSA-N 434.521 4.351 10 20 IICD COc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 1325026272 KYNPRKKXTBCZGI-FHWLQOOXSA-N 443.563 4.221 10 20 IICD COc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1C 1340495568 SQLXPRUDVVQXAE-YBFXNURJSA-N 425.535 4.492 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccsc2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291221 VQGCITZYCHBWFO-HNNXBMFYSA-N 446.916 4.156 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1-c1ccc(F)cc1 109701715 HHSVFCLEBKYJDK-HSZRJFAPSA-N 436.531 4.207 10 20 IICD CCN(CC)c1ccc(CNC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1F 236958046 VPGPKEMLIZLWTF-UHFFFAOYSA-N 443.563 4.084 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 303796125 RKIAHOOFMQYUGR-VGSWGCGISA-N 431.964 4.094 10 20 IICD COc1cc(OC)cc(OCCCN(C)C(=O)NCc2c(C)c3ccccc3n2C)c1 472284809 IDJJRRXKGCTPBY-UHFFFAOYSA-N 425.529 4.114 10 20 IICD COC(=O)c1ccccc1-n1ncc(NCc2c(C)c3ccccc3n2C)c(Cl)c1=O 480507110 UXTXAVIIZYQDRA-UHFFFAOYSA-N 436.899 4.085 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OCc4noc(C)n4)cc3)ccc21 521716815 NXIBUIXZJGMXRE-UHFFFAOYSA-N 434.496 4.427 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cn(-c2ccc(F)cc2Cl)nn1 535904456 HFBUJZVWKKOCSY-XFFZJAGNSA-N 428.254 4.367 10 20 IICD CCCOc1c(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cccc1OCC 726628621 ZOOROEMXEDZRSK-AQTBWJFISA-N 442.562 4.379 10 20 IICD COc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1NC(C)=O 726694904 KZLSQADPDJNUGL-UHFFFAOYSA-N 448.470 4.046 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 726701014 UIWHKNAUIZLJEA-UHFFFAOYSA-N 426.494 4.252 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)ccc21 726709401 OAMJNOFEVHCMTR-HXUWFJFHSA-N 449.530 4.347 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc4ncccc34)c2C)cc1F 731345893 NJBCJSZLNVGNAV-UHFFFAOYSA-N 432.503 4.039 10 20 IICD Cc1ccc([C@H]2CSCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 734941555 FRFKEIPZRHULEJ-WMZHIEFXSA-N 425.598 4.392 10 20 IICD FC(F)Oc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1Cl 735623535 LKDLOEFXFINIFG-UHFFFAOYSA-N 427.904 4.265 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2ccccc2Br)C1 740919635 FEHXDGMZMKILRD-OAQYLSRUSA-N 442.357 4.108 10 20 IICD O=C1CCSc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 742800285 QJKHOQRMFQWKSX-OAHLLOKOSA-N 447.507 4.121 10 20 IICD O=C(Cc1csc(-c2ccccn2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801864 TXHPZBMNZDHCTP-OAHLLOKOSA-N 444.507 4.134 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1C 743046263 SLXWFBRTPWPVJI-UHFFFAOYSA-N 434.564 4.428 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)o1 748091595 DOUNTSLYAYGVLU-UHFFFAOYSA-N 434.451 4.234 10 20 IICD C[C@@H](N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)C(F)(F)F 749773587 YWCMJNGMNQGMDF-OAHLLOKOSA-N 433.434 4.136 10 20 IICD CC(C)n1ncc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1-c1ccccc1 753615036 BNRZOTSMMUISCF-UHFFFAOYSA-N 434.540 4.012 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@@H](Cc2ccc3c(c2)OCO3)C(=O)O)cc1 756359818 FWNTYACZYXZXCA-QHCPKHFHSA-N 432.520 4.227 10 20 IICD C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)c(F)cc1O 756512422 XZROZPYOWLHZHF-KUHUBIRLSA-N 435.337 4.178 10 20 IICD CCc1cc(N2CCC(N[C@@H](C)c3cc(Br)cc(Cl)c3O)CC2)ncn1 756636697 GDYOFKNCZREVSX-LBPRGKRZSA-N 439.785 4.480 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3COc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 757633645 VLKUDIKCYDUGRH-LPMFXHHGSA-N 433.911 4.026 10 20 IICD Cc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(O[C@@H]2CCOC2)c1 758752383 AIAYZNDAOHPLNE-XMMPIXPASA-N 437.584 4.398 10 20 IICD CC[C@@H](C)[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759221362 PMMLEHPOFWPXPB-JPYJTQIMSA-N 426.557 4.191 10 20 IICD C[C@H](Cc1ccccc1Br)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 759730959 JLJHLZWOLXGWFR-IAGOWNOFSA-N 446.389 4.277 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c(C)nc(C(C)(C)C)nc3SC)CC2)cc1 760376844 BTAGXYSJOFNGDQ-UHFFFAOYSA-N 428.602 4.166 10 20 IICD CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl 764458114 QJYZGBQTLKHKKI-NTKDMRAZSA-N 444.019 4.307 10 20 IICD C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(Br)cc1 764758776 UWMPUCRSTLDEKZ-JTQLQIEISA-N 428.124 4.478 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)ccc1F 765281829 POUYLAWYFRIBGO-JOCHJYFZSA-N 441.501 4.461 10 20 IICD C[C@@H](NCc1ccc(OCCCN(C)C)cc1)c1ccc(N2CCOCC2)cc1Cl 765703662 ABVWOBCKZKNJEK-LJQANCHMSA-N 432.008 4.358 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc2oc3ccccc3c2c1 765903309 JBAWNOUROYJUPK-UHFFFAOYSA-N 439.265 4.309 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3cnccc3-c3ccccc3)cc2F)C[C@@H](C)O1 766115588 WURNITHJBKAVLP-RTBURBONSA-N 449.526 4.197 10 20 IICD CC(C)(C)n1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C1CC1 768912573 ORQSKAGLCUJEAZ-GOSISDBHSA-N 430.980 4.269 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 772569655 YWNONUIUYNEUKM-UHFFFAOYSA-N 445.350 4.288 10 20 IICD COc1c([N+](=O)[O-])ccc(CN(C[C@H](O)COc2cccc3ccccc23)C(C)C)c1O 774818676 FWFITUBTDVZTKP-IBGZPJMESA-N 440.496 4.113 10 20 IICD CC[C@@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(Br)ccc1O 775548393 YMEAWRGFHDVFOT-LJQANCHMSA-N 432.362 4.420 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC[C@@H](CN2CCCCC2)C1 775720227 JCZTUZASXDZHPT-ZDUSSCGKSA-N 432.200 4.225 10 20 IICD Cc1ccc(C)c([C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc2)c1 779058751 BIQNJZPDZKDINI-AREMUKBSSA-N 434.605 4.417 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1CCN(C)C)c1ccc(N)cc1 783482762 KAFYFFXPAWIZIW-LJQANCHMSA-N 430.552 4.106 10 20 IICD CCN1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)CC1=O 787235811 OEVYYLHPRGLOET-UHFFFAOYSA-N 440.927 4.182 10 20 IICD CN1C(=O)Cc2cc(N[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)ccc21 788331367 MEHZXXMDWFZXAP-NRFANRHFSA-N 439.475 4.365 10 20 IICD COc1ccc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(O)c1 794376214 CRDNPZOHLRZTHT-UHFFFAOYSA-N 430.460 4.258 10 20 IICD C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1O 798181486 VRNYLGZYLMEVIV-ZDUSSCGKSA-N 430.492 4.339 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@@H]1CCCC(F)(F)C1 799887568 CIZFPNXEISPRED-CQSZACIVSA-N 435.437 4.167 10 20 IICD Cn1nccc1[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 800796729 LWYZTMJGSFOFRN-WZONZLPQSA-N 442.523 4.347 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3c(F)cccc3F)C3CC3)cc2)CC1 805022716 BINDHXVWMCLNNM-UHFFFAOYSA-N 441.522 4.009 10 20 IICD COc1cc(OC)cc(Oc2cccc(CNC(=O)NCc3cccc(OC)c3O)c2)c1 807421858 CWCNEQJVUJWRAB-UHFFFAOYSA-N 438.480 4.210 10 20 IICD CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2O1 807513275 XGEKFUWXVUFCHY-UHFFFAOYSA-N 439.295 4.241 10 20 IICD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O 807837316 LKANMKRLOWFQRW-CYBMUJFWSA-N 435.373 4.058 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 808266678 RDJKLHLIBXSLJT-HOTGVXAUSA-N 436.474 4.458 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)ccc21 813612560 AOHFJLXRMONLLF-HXUWFJFHSA-N 442.604 4.190 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](CO)(Cc4ccc(F)cc4)C3)c2C)cc1 813894214 UIAOWWYSSQGBTI-AREMUKBSSA-N 436.527 4.309 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c([N+](=O)[O-])c1 817999713 UOCNXKIMRGTVIR-UHFFFAOYSA-N 431.451 4.274 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1Cl 918308633 PCFVEKYMXUPBKH-UHFFFAOYSA-N 429.948 4.326 10 20 IICD C[C@@H]1C[C@@H](C)CN(CCCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 919657048 PQNSNEVINUHQGH-NHCUHLMSSA-N 426.605 4.425 10 20 IICD Cc1cc(CC(=O)Nc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1251364146 BVAVQIOTKVZDEF-UHFFFAOYSA-N 430.957 4.473 10 20 IICD Cc1c(I)cccc1NC(=O)NCCCSc1nccs1 1337515630 RZGCOHKCXUJAIL-UHFFFAOYSA-N 433.340 4.360 10 20 IICD CCC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811263176 BUTZHLYAPDCNGS-RDGATRHJSA-N 430.552 4.219 10 20 IICD Cc1c(CNC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n(C)c2ccccc12 473281560 ZUFCCUOYLNFZSR-UHFFFAOYSA-N 445.592 4.412 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)ccc21 592685177 QRJFOYBIIIRFFF-LJQANCHMSA-N 427.495 4.191 10 20 IICD COc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC(F)F 726566658 YRJPGQRXFYQKIZ-UHFFFAOYSA-N 442.409 4.297 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 726705454 LFPNHIRKHNYMBW-QGZVFWFLSA-N 436.556 4.073 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC1=S 727177060 VUKWWTIIJYBTHP-GIJQJNRQSA-N 449.045 4.374 10 20 IICD Cc1cc(-c2csc(N3CCN(c4ncccn4)CC3)n2)c(C)n1-c1cccc(F)c1 728593565 YHEPUNHBVWCKEH-UHFFFAOYSA-N 434.544 4.473 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 728950486 QEKKVPAMPNCUOU-CABCVRRESA-N 448.361 4.050 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3occc3COc3ccccc3)cc2F)CC1 730193184 YFEXCHPEJQFVIG-UHFFFAOYSA-N 437.515 4.070 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 731346240 RXZKDCHQDQJNJQ-UHFFFAOYSA-N 429.580 4.011 10 20 IICD C[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(N2CCOCC2)cc1 733314347 RCAAZBLGXZFYKD-AWEZNQCLSA-N 429.369 4.011 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)n2)c1 739383596 ZYPCZYMIQFDFBL-UHFFFAOYSA-N 446.337 4.330 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 741097162 MXCSMRFYRCKNJV-UHFFFAOYSA-N 429.545 4.469 10 20 IICD Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742751064 RCFXAGSEJNUZQL-PGRDOPGGSA-N 441.572 4.211 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc3ccsc3[nH]2)NC(=O)OC(C)(C)C)cc1 742751489 UUWGFBFYHUMJMX-SFHVURJKSA-N 428.558 4.291 10 20 IICD COC(=O)c1cccc(-c2nc(CN3CCCN(c4ccc(OC)cc4)CC3)cs2)c1 743843192 PTQVDCHRHAOWSP-UHFFFAOYSA-N 437.565 4.318 10 20 IICD C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1nnc(-c2cccs2)o1 744474038 NVOLJLBRHDFBJX-LBPRGKRZSA-N 430.441 4.492 10 20 IICD COc1ccc(C[C@H](NC(=O)NCc2cccc(OC)c2O)c2ccc(OC)cc2)cc1 745314327 HOJXGKJKWSIWBD-QFIPXVFZSA-N 436.508 4.201 10 20 IICD Cc1cnc([C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C2CC2)s1 745799108 GRUZOXBIZIFMQN-SFHVURJKSA-N 436.528 4.472 10 20 IICD CCOc1c(Br)cc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1OC 746012614 PRNKGDHSDQQZTI-YBEGLDIGSA-N 447.354 4.114 10 20 IICD C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 747304190 SKLXZORWVLJLFQ-OAHLLOKOSA-N 431.499 4.147 10 20 IICD O=C(CN1CCC(OC2CCCCC2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 747837259 FKRHTBBJJZHZAI-UHFFFAOYSA-N 446.547 4.214 10 20 IICD Cc1noc(C)c1[C@@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 752294629 ZSHYQHYRJKPFDM-KPENOIPVSA-N 449.623 4.254 10 20 IICD COc1cccc(C2(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)c1 758815626 RRBGHJWDUBDUTH-KRWDZBQOSA-N 431.483 4.254 10 20 IICD C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O 761160649 PYWGGTKNKATDLJ-RCDICMHDSA-N 448.350 4.358 10 20 IICD CC(=O)Nc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(C(F)(F)F)c1 761565295 SRAMNYZKALNTEK-IBGZPJMESA-N 436.430 4.191 10 20 IICD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 764191187 FLBGQYVPJNPSEI-UHFFFAOYSA-N 443.569 4.500 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1-c1ccc(F)cc1 765286242 JOUHDZCRTMWYNQ-MRXNPFEDSA-N 426.511 4.271 10 20 IICD C[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCCC2)cc1 765329951 JIZZIIBFAJMVSL-WMZHIEFXSA-N 437.584 4.042 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 765783557 PZIJVGSQLSVJPY-UHFFFAOYSA-N 431.939 4.189 10 20 IICD C[C@@H]1CN(Cc2ccccn2)CC[C@H]1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238051 OHDMYQBYOVDTNF-QMHWCDLVSA-N 430.543 4.152 10 20 IICD C[C@H]1c2ccsc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769628826 SLQLXJTZYXDRLC-LBPRGKRZSA-N 434.564 4.076 10 20 IICD CCCOc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 770151858 BAGGKPNDPDWYHD-UHFFFAOYSA-N 436.474 4.190 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 770266597 XHSFOHWAZUBDGG-UHFFFAOYSA-N 429.274 4.401 10 20 IICD Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCc1ccc(O)c(O)c1 770632667 ZKFOMRWIFUZTAT-UHFFFAOYSA-N 434.323 4.109 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ccccc2OC)cc1 771855102 HECYNOJNPSQTPG-HHHXNRCGSA-N 431.580 4.335 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 773759967 CIYPOADTRHZOHI-BFUOFWGJSA-N 434.920 4.064 10 20 IICD Cc1cc(Br)cc(CNCc2cc(Br)c3c(c2)OCCO3)c1O 776094364 PODBROORRXYSAI-UHFFFAOYSA-N 443.135 4.287 10 20 IICD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1cc(Br)ccc1O 777441573 BQOOALSEFSENAX-YOFSQIOKSA-N 429.358 4.422 10 20 IICD C[C@@H]1CN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)cn2)C[C@@H](C)O1 777705895 XAXFSDQBCZCFRI-KZNAEPCWSA-N 430.980 4.358 10 20 IICD Cc1cc(C(=O)NCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] 782773627 LVSPUVGTKJPNGM-SFHVURJKSA-N 447.491 4.129 10 20 IICD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 784474168 GKAAZZGHVXZWSG-UHFFFAOYSA-N 438.597 4.010 10 20 IICD O=C(NCCSc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 785407248 JVJHVTJMPFGXMY-UHFFFAOYSA-N 444.940 4.076 10 20 IICD CCSc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 786661066 NOOWAMMQSIXKDZ-UHFFFAOYSA-N 431.989 4.051 10 20 IICD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 788092357 WWZUUPANRMCBHA-TZIWHRDSSA-N 446.494 4.194 10 20 IICD COc1c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)oc2ccccc12 788744732 ZYWVAPVJNSMHMZ-IYBDPMFKSA-N 441.503 4.194 10 20 IICD CCOC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccc(OC)c(Br)c1 792175433 SSLAPMUVNRBNJO-KRWDZBQOSA-N 446.700 4.350 10 20 IICD Oc1c(Br)cc(Br)cc1CNCCc1ccc2c[nH]nc2c1 793610679 VWGNWJBIQLOIAK-UHFFFAOYSA-N 425.124 4.126 10 20 IICD CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804330205 OOWRSYDKQKIOJU-HXUWFJFHSA-N 435.490 4.387 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)cc1F 806282008 FIXNHISJWCVFMH-HNNXBMFYSA-N 429.970 4.048 10 20 IICD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 807099033 IQVDGYIUYHPTHC-LJQANCHMSA-N 445.563 4.230 10 20 IICD COc1ccc(-c2nnc(SCC(=O)NCc3cc(Cl)cc(Cl)c3O)o2)cc1 807836997 XFDKKXOUJOWWPI-UHFFFAOYSA-N 440.308 4.166 10 20 IICD CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)S(=O)(=O)c1ccc(Cl)cc1 807839604 PXBBUJAURJTYKP-UHFFFAOYSA-N 436.744 4.221 10 20 IICD CC[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1O 810234083 XDPKUCVJDZQMAK-LJQANCHMSA-N 437.462 4.245 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCc3ccccc31)c2[N+](=O)[O-] 915862365 JNHPQCIZRCOZKI-UHFFFAOYSA-N 426.428 4.353 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)cc1 916226938 GPEXZDPUXWKITO-QHCPKHFHSA-N 435.572 4.206 10 20 IICD O=C(NCCN1CCc2sccc2C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 919797876 HNZVRVIPJMJSOD-UHFFFAOYSA-N 433.537 4.277 10 20 IICD Cc1ccc(N2CCC(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)CC2)nc1 919812185 NWSZTRNWBWIDDF-UHFFFAOYSA-N 432.568 4.494 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)c(F)c3)n2)cc1 1256244343 HFJCCXADJRVXNY-UHFFFAOYSA-N 435.502 4.107 10 20 IICD Cc1nnnn1[C@H](Cc1ccccc1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1325759551 FCFFZHQXOPAHRB-JOCHJYFZSA-N 425.496 4.271 10 20 IICD COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 108288410 LTJPWLYXVNKLIY-BRWVUGGUSA-N 432.561 4.245 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 303332529 JYNPGXARWAQJSK-UHFFFAOYSA-N 425.573 4.041 10 20 IICD CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486978520 UEANVNZFBPSRHN-DYESRHJHSA-N 427.589 4.062 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3nnn(Cc4ccccc4F)c3C)ccc21 584482502 WXGDFIAHEDIKHT-UHFFFAOYSA-N 435.503 4.244 10 20 IICD O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCCc2c1cccc2[N+](=O)[O-] 611093725 QLYPSFOOFKOPFS-UHFFFAOYSA-N 439.475 4.495 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccccc2Br)C1 725864566 QVKPCCVOQJGPCI-NRFANRHFSA-N 444.373 4.332 10 20 IICD O=C(NCc1nc2ccccc2s1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610022 GNCKOQRAMXDTJH-UHFFFAOYSA-N 432.496 4.366 10 20 IICD COCCN(Cc1cccs1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722639 UMUSGSPBOQTJDU-UHFFFAOYSA-N 439.528 4.177 10 20 IICD COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1 728838184 CUEARCPWQLVTPG-UHFFFAOYSA-N 446.473 4.460 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@H](C)CSc3ccccc3OC)CC2)cc1 728958114 SRROMZFIPSCARN-IBGZPJMESA-N 443.613 4.354 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)c1 728982737 PVOWHQOOKBFXRI-AWEZNQCLSA-N 443.507 4.207 10 20 IICD O=C(Cc1ccccc1Br)NC1CCN(c2ccc(OC(F)F)cc2)CC1 729360485 RBYAPRLYSREYRH-UHFFFAOYSA-N 439.300 4.378 10 20 IICD O=C(Nc1nc(CN2CCOCC2)cs1)N(Cc1ccccc1O)C1CCCCC1 729491897 JTPORFLZIWDVDU-UHFFFAOYSA-N 430.574 4.048 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c3cccnc23)cc1F 731408828 XJTOROZFRDQWRU-UHFFFAOYSA-N 428.895 4.128 10 20 IICD COc1ccc(CCN(CC(C)(C)C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 734523695 BBTRBZWPAAWGDQ-UHFFFAOYSA-N 439.600 4.332 10 20 IICD C/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 742566908 RIVWQPLLKCNBLK-KVVHSQDJSA-N 445.485 4.127 10 20 IICD CC(C)c1ccc(N2CC[C@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2=O)cc1 743339723 WPYLYVBGSYMRJI-DHIUTWEWSA-N 436.552 4.076 10 20 IICD CCOc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 743537151 YZLUJSOFVHIMDQ-QGZVFWFLSA-N 449.498 4.164 10 20 IICD C[C@@H]1CCCCN1CCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743547241 BUHZGLTYJRTMBM-RTBURBONSA-N 438.563 4.211 10 20 IICD O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745796346 RGJAKTZVJXNORF-QIJUGHKUSA-N 445.510 4.476 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N(Cc1ccco1)C[C@H]1CCCO1 745906211 YOMOMNYSQCPMOV-LAUBAEHRSA-N 449.498 4.241 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N(CCc3ccccc3)C3CCCC3)cc2)C1 746954320 ZBHGSQANFHTCGG-HSZRJFAPSA-N 448.611 4.085 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)ccc1F 747859499 ZTAAMQWFBLPPHC-UHFFFAOYSA-N 438.527 4.259 10 20 IICD Cc1cc(C(=O)Cn2c(-c3cccnc3)noc2=O)c(C)n1-c1cccc(C(F)(F)F)c1 749358536 SEJSTAXFVDHRBW-UHFFFAOYSA-N 442.397 4.208 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 749702209 GVKLDQSVQQMSBI-NRFANRHFSA-N 441.491 4.242 10 20 IICD O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 753952712 QSKUOCBKYOKJNF-UHFFFAOYSA-N 435.351 4.499 10 20 IICD COc1ccccc1[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1O)c1nccn1C 756394375 VZSBNVXVZMUMIE-HXPMCKFVSA-N 434.309 4.476 10 20 IICD C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756713886 WFPKOEOAXXDUIF-RFAUZJTJSA-N 433.115 4.441 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 757791614 DXHCPQBGZGZVHB-SFHVURJKSA-N 446.345 4.184 10 20 IICD CN1CCN(CC2(C)CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)CC1 758263990 JQHOTRPHBRBHJQ-UHFFFAOYSA-N 446.433 4.157 10 20 IICD C[C@H](c1ccccc1)N1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 764786026 XJERWDYXZKEVON-OAHLLOKOSA-N 432.362 4.180 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(N2CCCC2=O)cc1 765125427 DQUYTUSFNWXIFY-QRVBRYPASA-N 425.548 4.417 10 20 IICD CCOc1c(OC)cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1OC 765512832 CRFTXKFIJMHTBI-INIZCTEOSA-N 434.964 4.443 10 20 IICD O=C(NCCc1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 765899775 NSGAHXFTPVDNES-UHFFFAOYSA-N 447.554 4.496 10 20 IICD CSCc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 767689595 NPYFBPPWBOMYOP-UHFFFAOYSA-N 427.526 4.007 10 20 IICD O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1 769166652 LHTWSASZIMJNEB-VWNXMTODSA-N 429.605 4.004 10 20 IICD COCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(Cl)c1 769871284 JLPJIZPSRUEGOC-UHFFFAOYSA-N 435.863 4.393 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccc2nc(O)oc2c1 771369237 IAQKBNICHSQTHY-UHFFFAOYSA-N 442.519 4.150 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2oc(C(F)(F)F)nc2c1 771931111 KTUMSJGHNPQCEJ-UHFFFAOYSA-N 425.750 4.174 10 20 IICD O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H](NCc2cccc(Br)c2O)C1 775148105 XXTLLWHCCAWBKG-CVEARBPZSA-N 443.341 4.242 10 20 IICD C[C@@H](NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(N2CCOCC2)cc1 775258309 XCHVBSDKXYCADW-NIYFSFCBSA-N 439.575 4.361 10 20 IICD C[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)C1=O 777822722 KGOFMCBHWAZQPX-MOPGFXCFSA-N 430.504 4.296 10 20 IICD C[C@H]1CN(c2ccc(CNCc3cnn(Cc4ccc(F)cc4)c3)cc2F)C[C@H](C)O1 780508145 GDJKEONYCGELIS-ROUUACIJSA-N 426.511 4.113 10 20 IICD COC(=O)c1c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)sc(C)c1C 782895842 FZFMUJQCDVSDFX-UHFFFAOYSA-N 444.553 4.157 10 20 IICD CSc1nnc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)s1 783878195 ZSLKXNYBLGEFMA-UHFFFAOYSA-N 437.388 4.360 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2ccccc2n1CC(F)(F)F 787191879 NGJHCTUQLTXCGL-UHFFFAOYSA-N 447.457 4.085 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 787463512 HTRAKGJCMSQADD-SJORKVTESA-N 447.963 4.473 10 20 IICD CCCNc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 790871543 YQESYMAYOHZKDN-UHFFFAOYSA-N 431.539 4.329 10 20 IICD COC(=O)c1nc([C@H]2CCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc1C 793236686 VGJWWOOEGCGXDR-GOSISDBHSA-N 444.557 4.474 10 20 IICD CNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1 794412623 GOIAXHUOPRFOGG-UHFFFAOYSA-N 425.916 4.433 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(O)c1 797388952 HXXBQUFDMJGVOR-UHFFFAOYSA-N 426.856 4.101 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)c(F)c1 798155233 FLWSBMBTJNDFPR-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 806101536 IRUQHDCJCNZJGU-VXKWHMMOSA-N 434.544 4.307 10 20 IICD Cc1ccc(-c2nnc(S)n2CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 807833929 HONBEWXJAILBDL-UHFFFAOYSA-N 437.352 4.261 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(F)c(C(=O)OC)c1F 810337138 HVSKTPZOOHWLOO-UHFFFAOYSA-N 443.244 4.274 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1cccc(C(F)(F)F)c1 812604372 MUVVAFFKTQZTDO-UHFFFAOYSA-N 431.414 4.262 10 20 IICD CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 917697821 QGAZGNFOMOWXMI-UHFFFAOYSA-N 435.549 4.364 10 20 IICD Cc1cc(CC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 917800509 OMVWFUSDFXARFC-UHFFFAOYSA-N 444.984 4.151 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)CC2)cc1 917821655 KKIUXXLFDTUDAK-UHFFFAOYSA-N 433.556 4.251 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc2c(c1)OCCCO2 921205921 KWQNCXBSACLQGG-UHFFFAOYSA-N 428.535 4.261 10 20 IICD Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)cnn1-c1cccc(Br)c1 1117551650 PYCPAGDNLPHNKD-UHFFFAOYSA-N 432.665 4.385 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cccc(-c3cnn(C)c3)c2)C1 436043360 JFWVQJMFVCDCDU-UHFFFAOYSA-N 441.579 4.125 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 725866106 CHAVPMSSFPWXPK-RBBKRZOGSA-N 447.501 4.269 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ncccn4)cc3C)CC2)cc1 726699164 KKPOPUKBEGRTRL-UHFFFAOYSA-N 433.512 4.376 10 20 IICD NC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)s2)SC1=S 727176444 RZLCHXXNVOTUOH-MLPAPPSSSA-N 429.375 4.408 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1 727249846 CAFOLQSGFBKXKS-UHFFFAOYSA-N 426.878 4.190 10 20 IICD Cc1cc(-c2csc(NC(=O)CCN3CCCC3=O)n2)c(C)n1-c1ccc(F)cc1 727706359 RGSINAPXHQNDCB-UHFFFAOYSA-N 426.517 4.308 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 729035243 HBQPXOFCQIIUJP-HNNXBMFYSA-N 437.471 4.353 10 20 IICD CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1 731059130 VMRJRJTYEKOXMN-UHFFFAOYSA-N 443.594 4.242 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2)oc1C 731131039 BTLMSDYOEAMHBA-UHFFFAOYSA-N 446.551 4.450 10 20 IICD CCOC[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 733763797 CQVCXURSPPEJIO-UHVIJJLKSA-N 438.640 4.005 10 20 IICD Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(Br)cc1 734145059 JGJZLIGEHCVQCF-WMZOPIPTSA-N 446.389 4.233 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 734407277 LIMDUMWVYOIVHF-UHFFFAOYSA-N 447.922 4.445 10 20 IICD CC(C)n1ccc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 735131927 PFTHZIRRRYTBDP-WJDWOHSUSA-N 435.596 4.250 10 20 IICD CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 735379634 URXMEFXLTZLGRL-DOTOQJQBSA-N 431.524 4.015 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 740800992 MIIVRGMFOOVILW-UHFFFAOYSA-N 429.586 4.350 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 740916368 CFOLNSUHXIGMBI-GOSISDBHSA-N 446.473 4.040 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3C)n2)cc1 743046091 OUXDESXLJMQDGC-UHFFFAOYSA-N 447.557 4.127 10 20 IICD Cc1sc(NS(=O)(=O)c2cncc(Br)c2)nc1-c1ccc(F)cc1 747858958 UIYFWBHUCHCEMO-UHFFFAOYSA-N 428.308 4.216 10 20 IICD O=C(Nc1cc(F)ccc1C(=O)NCc1ccccc1O)c1cccc(Br)c1 748345943 SFAYJBNCQRYDAC-UHFFFAOYSA-N 443.272 4.476 10 20 IICD CCc1nc(COc2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)no1 751308146 RBVBQMAMIJVZIN-UHFFFAOYSA-N 440.463 4.173 10 20 IICD O=C(OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1N=Nc1ccc(O)cc1 753429490 JVHXRDJYPNGOAP-UHFFFAOYSA-N 446.419 4.462 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)OCC(C)C)c3)CC2)cc1F 753885076 NOJPNFJMEFEUMG-UHFFFAOYSA-N 444.507 4.393 10 20 IICD O=C(CCc1nc(-c2cccs2)no1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754548928 SKGLWRCBRWWUGK-UHFFFAOYSA-N 429.457 4.145 10 20 IICD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 759022185 HRKFPYQABADOOV-FQEVSTJZSA-N 434.584 4.229 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3oc4ccc(F)cc4c3C)n2)o1 760303352 AXFLLFCNWBNGCG-UHFFFAOYSA-N 449.485 4.034 10 20 IICD CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 764353886 RVOCLEGJDVTAHI-VQTJNVASSA-N 437.531 4.246 10 20 IICD O=[N+]([O-])c1ccc(N2CCC(NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)cc1 765642500 BZJSBTSFPKBCBZ-UHFFFAOYSA-N 446.498 4.424 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CC[C@H]3n3ccnc3)CC2)cc1 769097336 ZCKCFQQCDMVWKJ-JWQCQUIFSA-N 445.567 4.089 10 20 IICD C[C@H](Cc1ccc(O)cc1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769440328 JYALFXBQCIAVRL-QFGUUYLXSA-N 446.619 4.183 10 20 IICD O=C(Nc1ccc(F)cc1NC1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769982298 CWTQGWKCXYUAMC-UHFFFAOYSA-N 447.513 4.220 10 20 IICD CCOC(=O)c1c(NC(=O)CCN[C@H](C)[C@H]2CCOC2)sc(C)c1-c1ccccc1 771815538 WFBFUXIJLFCNCS-QAPCUYQASA-N 430.570 4.243 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773615325 CTOXJNVPXQYJKF-HNNXBMFYSA-N 432.952 4.112 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1O 775030875 WLQYKUSDAHTEGQ-UHFFFAOYSA-N 427.501 4.215 10 20 IICD CCN(CC)Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC 775380216 WAVYQPRHGZZHGL-IBGZPJMESA-N 429.580 4.364 10 20 IICD Cc1cc(NC(=O)CSCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 777827061 WCXLHTGBVUKJKR-KRWDZBQOSA-N 439.537 4.150 10 20 IICD Cc1cc(C(=O)CN2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(OC(F)F)cc1 781345066 WXUKUWGGEBXLSA-UHFFFAOYSA-N 447.526 4.069 10 20 IICD CNC(=O)CCOc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 784533703 KLDZVNZJAWLKTF-UHFFFAOYSA-N 445.479 4.194 10 20 IICD CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 799123681 COLUIKQMXIHJDO-UHFFFAOYSA-N 438.221 4.177 10 20 IICD COC(=O)Cc1csc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 800000395 DAZPXDVEERCNMZ-ZDUSSCGKSA-N 436.965 4.070 10 20 IICD CCCCN(CC(=O)Nc1ccccc1I)Cc1ccccc1O 801598383 YOORUXIIXAEUIP-UHFFFAOYSA-N 438.309 4.238 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)cc1F 802610264 XTHJSCBVNXAXJP-UHFFFAOYSA-N 441.272 4.200 10 20 IICD O=C(CCCCNC(=O)OCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O 807839924 MXVRYDBTENFMQO-UHFFFAOYSA-N 425.312 4.412 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 808527970 RYPGDDSPBRCQCP-UHFFFAOYSA-N 441.534 4.449 10 20 IICD Cc1cnc(Br)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 812983236 ZSSQHWUUOLQNHP-UHFFFAOYSA-N 446.345 4.158 10 20 IICD C[C@H]1CN(c2ccc(CNCc3c(Cl)cccc3N3CCOCC3)cc2F)C[C@@H](C)O1 815115345 HHYQWXXMXMPVKU-HDICACEKSA-N 447.982 4.219 10 20 IICD CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822003914 NJYDNKVNSKNPSV-UHFFFAOYSA-N 434.835 4.296 10 20 IICD CCOc1cccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 916076642 UXLWIYYBAOGMLF-QGOAFFKASA-N 446.619 4.445 10 20 IICD COc1ccc(Cl)cc1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456969 ZZVUVJFHMJOBGE-UHFFFAOYSA-N 442.865 4.063 10 20 IICD CCC(CC)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 918116808 AOKNDEUEXXDKEF-LADGPHEKSA-N 436.600 4.365 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)cc1 918227878 APQGRJKDBDXPSX-QHCPKHFHSA-N 425.573 4.432 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(c2ccccc2O)CC1 918290442 SLXTYZRYOHBYME-UHFFFAOYSA-N 429.480 4.095 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 919823562 LGKPHMYZBLFZMJ-UHFFFAOYSA-N 447.988 4.367 10 20 IICD Cc1cc(-c2nnc(-c3ccc(=O)n(-c4ccccc4F)n3)o2)c(C)n1-c1ccccc1 1327885159 NRYISNUCXVTRDL-UHFFFAOYSA-N 427.439 4.496 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1)c1cc(O)nc(O)c1 1790224386 RXRMFNAZQHIXKU-UHFFFAOYSA-N 437.883 4.208 10 20 IICD CCOc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 108466688 MQGLRQZGIFJDJA-ROUUACIJSA-N 429.536 4.180 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccccc2CN(C)c2ccccc2)n(C)c2ccccc12 472803272 ABQVMVCXWLMIED-UHFFFAOYSA-N 440.547 4.378 10 20 IICD CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 583960941 CKDHTBKQWWNSKQ-SFHVURJKSA-N 446.532 4.142 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 726264845 ATAJUPALNWYJFP-FQEVSTJZSA-N 432.609 4.321 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(Cc2ccc(F)cc2)n1 726937258 NVSRSAXMSDUPBM-UHFFFAOYSA-N 427.570 4.356 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COc2cccc(Br)c2)cc1 728839905 XEWZVWFJTAHOBG-UHFFFAOYSA-N 445.279 4.485 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c1 728945763 IOVYGUSEDVAVII-QRVBRYPASA-N 425.573 4.439 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)c(C)n1-c1ccc(F)cc1 732171179 YZIYUVLCWJVFOA-INIZCTEOSA-N 439.560 4.468 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 735887773 VNKKFUPXUYMXSS-LJQANCHMSA-N 430.543 4.477 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(F)c(-n4nnnc4C4CC4)c3)c2C)cc1 742132873 WDPPCFCFKCHDJX-UHFFFAOYSA-N 446.486 4.347 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1Br 742411797 WMBZRMMJHYBTRO-CYBMUJFWSA-N 436.262 4.343 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1 743284451 MXLAPPVZBLKSFX-HJHGFDQJSA-N 427.547 4.437 10 20 IICD COc1ccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1[N+](=O)[O-] 743340886 DISDFPYQJGKABT-UHFFFAOYSA-N 426.517 4.372 10 20 IICD O=C(N[C@H]1CCCOc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743577832 JQCXYOORHLUSIS-UZLBHIALSA-N 431.483 4.470 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cncc(C)c2)sc(C)c1-c1ccccc1 745509458 ZLMDSGVYKBDSTN-UHFFFAOYSA-N 438.505 4.399 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)s2)cc1 753730360 IATASCIOCKHTIJ-UHFFFAOYSA-N 441.528 4.237 10 20 IICD C[C@@H](NCCNC(=O)OC(C)(C)C)c1cc(Br)cc(Br)c1O 756515087 BULCSQXJRCWKGN-SECBINFHSA-N 438.160 4.093 10 20 IICD O=C1C[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CN1Cc1ccccc1 759683625 OYMIJVZDOATHMF-NRFANRHFSA-N 435.568 4.285 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)ccc1OC(F)F 765978039 BSGZUOPJQRRGRG-AWEZNQCLSA-N 444.931 4.027 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2csc(S(C)(=O)=O)c2)cc1 766883361 JRKHXAPCTMQYCZ-UHFFFAOYSA-N 444.578 4.073 10 20 IICD C[C@H]1c2ccccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769776206 JKPBPKFRJWPPJY-AWEZNQCLSA-N 428.535 4.014 10 20 IICD C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769899626 JPBIVSRDNCDDPN-CYBMUJFWSA-N 446.525 4.153 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3ccc(Br)c([N+](=O)[O-])c3)cs2)cc1 773460722 GGKAZLOFOLJHEB-UHFFFAOYSA-N 448.298 4.344 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(Br)c(F)c3)CC2)cc1 775380233 WOKVCUVJXBPQKB-UHFFFAOYSA-N 426.261 4.090 10 20 IICD CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1C 776042741 UTORGHBKYJDALH-KRWDZBQOSA-N 425.577 4.186 10 20 IICD COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1-n1nnnc1C1CC1 782789672 UAKRBPUVTAKTJU-UHFFFAOYSA-N 449.559 4.057 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cc1 786054524 XZWQJLLGHGZBFW-NRFANRHFSA-N 446.016 4.023 10 20 IICD CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(Br)c1OC 790410867 DXVUSLBIOPAGHQ-UHFFFAOYSA-N 436.711 4.016 10 20 IICD Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 795555325 UZVCWWNGXPLACN-UHFFFAOYSA-N 440.550 4.232 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 799938148 BIFUOEXOFWSEQY-IVOCFDLISA-N 440.053 4.455 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 801546816 ZLHUAIXAGZFVPT-UHFFFAOYSA-N 444.475 4.225 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 807838580 YATDZYYAQPMXPY-ZDUSSCGKSA-N 425.287 4.007 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1F 812036517 IHBXISJPAFVUDZ-WOJBJXKFSA-N 445.539 4.343 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1 812858914 FAYWYZMWSYIMPA-CVEARBPZSA-N 442.453 4.216 10 20 IICD Cc1cc(Br)cc(CN[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1O 814172324 IPFTZERQSFPFND-INIZCTEOSA-N 425.367 4.342 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(OC)c1OC(C)=O 814277541 KYXXFSVBSQBRLL-YVLHZVERSA-N 433.482 4.174 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(F)c1 915221627 BPHCLMQVTOSPPF-UHFFFAOYSA-N 425.894 4.362 10 20 IICD Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457785 MMTXLUAKUWWXOX-UHFFFAOYSA-N 447.432 4.468 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 916631906 MLVQTCKCAPZDMX-UHFFFAOYSA-N 427.398 4.011 10 20 IICD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc(N4CCCC4)cc3)c12 917116831 CNRDUTVNBQPMIH-UHFFFAOYSA-N 425.536 4.474 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCSc2ccc(Cl)cc21 918203519 WBYPDESOGTWIJI-IBGZPJMESA-N 449.979 4.477 10 20 IICD CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)c1ccccc1OCC(=O)NC 918634222 KBJXEFOYQBYZQO-QHCPKHFHSA-N 433.552 4.408 10 20 IICD Cc1cc(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 918688261 BZWSOIZVPGWKSA-QHCPKHFHSA-N 429.992 4.003 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@@H]1c1ccccn1 919870901 LVAJGUYFFGNHFS-OLCHLOJWSA-N 443.619 4.488 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C2SCCS2)cc1 919968639 MALMEAASAZFKIL-UHFFFAOYSA-N 428.623 4.304 10 20 IICD Cc1cc(C(=O)NCCc2nccn2C(F)F)c(C)n1-c1ccc(Br)cc1 1263847487 HAZZFEVGYFTMCR-UHFFFAOYSA-N 437.288 4.421 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnoc3C3CC3)C2)cc1 1842582696 FWTFTXXLIDUWPJ-UHFFFAOYSA-N 444.535 4.090 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cccc3ccccc23)C1 1843623852 BWSDTAKYZDEESQ-UHFFFAOYSA-N 436.895 4.035 10 20 IICD COC(=O)c1sc2nc(C)nc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 65280542 KZYKCAKPDMSATD-AWEZNQCLSA-N 426.542 4.104 10 20 IICD COc1cccc([C@H](CNC(=O)Cc2ccc(N)cc2)c2c[nH]c3ccccc23)c1OC 237546713 SZNDRJHJKMECPW-QFIPXVFZSA-N 429.520 4.258 10 20 IICD O=C(COc1ccccc1-c1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 302974092 IPAAOKHVONBCJN-UHFFFAOYSA-N 430.548 4.258 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4c(Cl)cccc43)cc2F)CC1 303269526 FMNXTDANHUGRHN-NRFANRHFSA-N 430.955 4.108 10 20 IICD COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1OC 303347846 GPUCWMRZAWBDML-KRWDZBQOSA-N 436.346 4.353 10 20 IICD Cc1c(CNC(=O)c2cc(F)c(F)cc2I)n(C)c2ccccc12 471242446 IWZTZXDSSBLUPW-UHFFFAOYSA-N 440.231 4.300 10 20 IICD CC(C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 725868971 GYJOCLQARBFVST-UHFFFAOYSA-N 443.563 4.211 10 20 IICD CCOc1cccc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)c1OC(F)F 726196884 FRVGOQZLTWNAGD-ZSOIEALJSA-N 425.482 4.309 10 20 IICD COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1O 729859111 JBMHMHHOBDSDKJ-UHFFFAOYSA-N 440.293 4.324 10 20 IICD O=C(c1cc(O)cs1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 732273080 VQWAVCLPKQTWCZ-UHFFFAOYSA-N 429.523 4.048 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 734653665 LIBDOOMLAZJRRE-JGCGQSQUSA-N 449.576 4.153 10 20 IICD CC(C)OC(=O)NCc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 735178165 IVTSCOSZLJTPSN-SFHVURJKSA-N 440.544 4.041 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)C3CC3)cc2F)C[C@@H](C)O1 736653064 IMQLQZMNBHHOQD-IEGUWTFLSA-N 425.548 4.260 10 20 IICD CCN(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C1CCC1 737587702 AQALKRDUBLYTKY-XNTDXEJSSA-N 439.400 4.051 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cccc3cccnc23)NC(=O)OC(C)(C)C)cc1 742750545 DURMOMGMOYKLQS-NRFANRHFSA-N 434.540 4.297 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1)C1CCCCC1 743286642 PKMWUXNQUKMSQR-UHFFFAOYSA-N 448.567 4.426 10 20 IICD CN1CC(=O)N(c2cccc(NC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c2)C1=O 743299580 SURRLWBYXTUXRS-UHFFFAOYSA-N 449.555 4.176 10 20 IICD O=C(NCc1ccccc1OC(F)F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743521981 UQSPQDYEBMMSOA-OAHLLOKOSA-N 441.425 4.358 10 20 IICD O=C(NCc1ccccc1CN1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 745333582 OWYAXPILOPXSJD-UHFFFAOYSA-N 437.584 4.269 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903638 IIRQMPIBLCBAFQ-GOSISDBHSA-N 433.499 4.497 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2sc(N3CCCC3)nc2Cl)cc1 746594611 FEDBCIAVGLOOPV-GOSISDBHSA-N 449.020 4.284 10 20 IICD COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 747858727 XWDXQOIJJBYDHE-IXDOHACOSA-N 429.536 4.257 10 20 IICD Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 751136765 MMLQNMXSQJUULM-KRWDZBQOSA-N 429.460 4.089 10 20 IICD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c1 751931897 VQDZPBPFQBEUIF-CYBMUJFWSA-N 427.551 4.222 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(CCC(F)(F)F)cc1 753546318 CFMUEDALIUPVJN-UHFFFAOYSA-N 425.426 4.479 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)CC2)cc1F 753882783 ZIDHGTAUZYMGMX-LJQANCHMSA-N 443.519 4.136 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CC[S@](=O)C[C@H]2c2cnn(CC)c2)cc1 754154383 NMPOHARRSBLBLT-FKAPRUDGSA-N 436.625 4.235 10 20 IICD CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NC(C)(C)CC(N)=O)cc1 754796117 CKHWXTFLNSMHOO-SDXDJHTJSA-N 442.563 4.171 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3ccc(C)cc3O)c2)cc1 756582501 JJJVAEHYYCKFLL-QGZVFWFLSA-N 426.538 4.361 10 20 IICD CC(C)[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)C(=O)N1CCCC1 756707230 XBTZYVCQAPGYMM-ABAIWWIYSA-N 448.199 4.215 10 20 IICD COc1c(N[C@@H](C)c2cc(Br)cc(Br)c2O)cccc1C(N)=O 757656693 BWTXJUZKGKZKRY-QMMMGPOBSA-N 444.123 4.198 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1C 760352033 PZIAWLLOEIHSCI-UHFFFAOYSA-N 446.595 4.272 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 760948123 PMCATCIUBKBUOM-UHFFFAOYSA-N 448.548 4.185 10 20 IICD O=C1/C(=C\c2cc(Br)ccc2OC(F)F)SC(=S)N1Cc1ccon1 764413280 ZCWNEXZPBCBEOJ-WUXMJOGZSA-N 447.282 4.440 10 20 IICD Fc1cc(CN[C@H]2CCc3c(Cl)cccc32)ccc1N1CCN(c2ncccn2)CC1 765278831 CIBVCWFVGCJXHC-QFIPXVFZSA-N 437.950 4.373 10 20 IICD CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 765767713 NHKGMNNGEKZRLT-KRWDZBQOSA-N 431.606 4.462 10 20 IICD Cc1c(Cl)cc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1Cl 765926694 PFJPYTIZRNVHDB-UHFFFAOYSA-N 432.101 4.025 10 20 IICD COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1c(Cl)ccc(C)c1Cl 767423226 HFDJPIGTSOYTFM-UHFFFAOYSA-N 434.370 4.027 10 20 IICD O=C(Cc1ccc(F)cc1Cl)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 767880512 FXHWNPHBQYHRTK-UHFFFAOYSA-N 430.829 4.193 10 20 IICD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 775727141 KHKDXBKUYIUNGH-IPPNXFFKSA-N 447.526 4.154 10 20 IICD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccccc1O 776184645 JOJAGNKTIRKBEP-IBGZPJMESA-N 435.362 4.334 10 20 IICD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCSc1nccs1 777744788 QJJDGMZYVWJWPV-DFNIBXOVSA-N 444.626 4.103 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(-c3cccc(Cl)c3)nn2)cc1 782436957 GMVGCZBLQYCHSM-UHFFFAOYSA-N 437.853 4.191 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(Cn2cccn2)c1)c1ccc(N)cc1 783482754 JYQIHXQINHPELR-IBGZPJMESA-N 439.519 4.247 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccnc1Br)c1ccc(N)cc1 783485540 IREMXYXWDUZISP-CQSZACIVSA-N 439.313 4.159 10 20 IICD C[S@](=O)Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Cl 784057726 CPLVGHXZARRVFA-PMERELPUSA-N 447.988 4.105 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 784107876 BXBIHORIYJKIHQ-UHFFFAOYSA-N 431.496 4.013 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2CCc3ccc(Br)cc32)cc1 784109927 ZNDVIYLOLWAQJC-UHFFFAOYSA-N 442.357 4.144 10 20 IICD CCC(CC)(C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(Cl)cc1 786660477 YKMNEIXKRRRKIL-UHFFFAOYSA-N 442.003 4.383 10 20 IICD C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1ccc(N2CCOCC2)cc1 789631214 VKKKFOYNHMOSKC-CQSZACIVSA-N 430.961 4.130 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(N(C)C)cc1 789744197 PACYIECNFMLRKS-AWEZNQCLSA-N 440.450 4.034 10 20 IICD COCCC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 792065864 DHECYODCSLGGQJ-QFIPXVFZSA-N 425.573 4.001 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c(Br)c1 795613190 XPLGYOYSXJCYCH-UHFFFAOYSA-N 431.358 4.444 10 20 IICD COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1NC(=O)C1CCCCC1 797628450 YLUCSQNNBXFOMQ-HNNXBMFYSA-N 441.528 4.378 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(CC(F)F)CC3)cc2Cl)C1 799916195 KILOALRXJAIBES-HNNXBMFYSA-N 428.955 4.105 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 799938150 BIFUOEXOFWSEQY-SIFRGLGKSA-N 440.053 4.455 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ccn(C)c4c3)cc2Cl)C1 800636565 LBDPPYQADTURBZ-MRXNPFEDSA-N 438.959 4.323 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OCCCOC)CC1 801846450 JAYJRTWCSBPPKU-UHFFFAOYSA-N 437.588 4.394 10 20 IICD CC[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(C(F)(F)F)cc1O 810215994 AWXYMSBNILIOLO-RXVVDRJESA-N 449.517 4.349 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC2(CCOCC2)CC1 812162346 NMWNKIHBWBEQIY-UHFFFAOYSA-N 449.599 4.396 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C2CC2)cc1 915146756 YMMZFCOGUFYCFZ-UHFFFAOYSA-N 429.446 4.157 10 20 IICD CN(Cc1ccc(Br)s1)C(=O)NCc1ccc(N2CCSCC2)cc1 916624785 QAFYSXDFQHLMRH-UHFFFAOYSA-N 440.432 4.405 10 20 IICD CCN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 919912052 XKTMFMPDGAMMSL-XMMPIXPASA-N 444.579 4.273 10 20 IICD CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 919981665 OAUSZTCZXTYEDT-UHFFFAOYSA-N 441.915 4.377 10 20 IICD C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1 920181803 BMASDLMNSYWFHE-QGZVFWFLSA-N 449.517 4.421 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 920869844 BKCQKTWSIXPALJ-WZONZLPQSA-N 439.556 4.148 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)cc1 1319381762 UAAPWAHPTCBVCZ-UHFFFAOYSA-N 425.529 4.234 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccnn3C[C@@H]3CCOC3)cc2Cl)C1 1339935738 BDOVOGDPOGVRTE-WMZOPIPTSA-N 431.968 4.131 10 20 IICD OC1CCN(c2ccc(CNc3nn4cc(-c5ccc(F)cc5)nc4s3)cc2F)CC1 301095089 NYVVLEOBGBECBJ-UHFFFAOYSA-N 441.507 4.309 10 20 IICD CC(=O)N1CCN(c2ccccc2CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 725745141 WUPHUTNNCZGEEV-UHFFFAOYSA-N 444.579 4.001 10 20 IICD CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726719996 SXOKCEJGIOGQCN-UHFFFAOYSA-N 434.443 4.007 10 20 IICD CN(CCCOc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726721722 HDYSKESBBCZQRM-UHFFFAOYSA-N 433.499 4.367 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCCCS(C)(=O)=O 728441971 XWRMBXQIKAEKSC-UHFFFAOYSA-N 431.421 4.495 10 20 IICD CC(C)Cn1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ccccc2c1=O 731015151 JZGKXVJUBSPTLV-UHFFFAOYSA-N 432.568 4.219 10 20 IICD CN(CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)Cc1ccccc1O 731843521 NFAWUNNXVOBBOV-UHFFFAOYSA-N 440.547 4.052 10 20 IICD Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 734217056 RSXVGUPYHFMMST-NRFANRHFSA-N 425.548 4.012 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2cc(OC)ccc2C=O)cc1 734436946 GTPKDAZMVJHZFR-UHFFFAOYSA-N 448.519 4.195 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 734687133 JWSJBHSFHIEZSP-QFIPXVFZSA-N 444.620 4.382 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)n2)cc1 734740094 KEWNTZYYLUTDIV-UHFFFAOYSA-N 427.551 4.082 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C2CC2)cc1 740454647 WRYPHOSHRLWSEH-UHFFFAOYSA-N 444.601 4.026 10 20 IICD CC[C@@](C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1 744424225 IUVPRQBANBOWTH-XMMPIXPASA-N 433.533 4.080 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCc3ccccc3)C3CC3)cc2F)C[C@@H](C)O1 746946999 SXLBCLBCPYQQMX-KDURUIRLSA-N 425.548 4.356 10 20 IICD CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCCCC2 748625419 LTFWITUZMUBUJB-WWPVKYPJSA-N 429.605 4.354 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)ccc21 749010190 SINVMLYTZGOMDW-NRFANRHFSA-N 444.373 4.115 10 20 IICD CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751936511 IWZWTAMGKRXVCI-JKSUJKDBSA-N 437.565 4.301 10 20 IICD C[C@@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 752157558 XLGPVYQUURXHKM-XLIONFOSSA-N 429.948 4.101 10 20 IICD Cc1cc(Cl)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1[N+](=O)[O-] 752192084 RTWPGQYVKYHTOE-UHFFFAOYSA-N 437.886 4.373 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(=O)n(-c2cccc(F)c2)c1 754545801 WEVDPXMJDBOYDL-UHFFFAOYSA-N 438.414 4.004 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NC2CCN(Cc3ccc(Br)cc3)CC2)c1 756657260 BXHRHWJWLKVSIG-HNNXBMFYSA-N 447.373 4.257 10 20 IICD C[C@@H](NCCCOC1CCOCC1)c1cc(Br)cc(Br)c1O 756731576 CDJJOQMWCDGVMM-LLVKDONJSA-N 437.172 4.154 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 758532841 QDGMTRYGGJQQOM-UHFFFAOYSA-N 425.601 4.163 10 20 IICD CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 759578773 JVBQVWFXHZPDFZ-ANVLDHPDSA-N 433.460 4.433 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(OCCN(C)C)c1 765124557 BKQLIYCXBNPAGZ-AQNXPRMDSA-N 429.580 4.231 10 20 IICD C[C@@H](NC[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 765699041 AQWBQABPZAYFAL-IFMALSPDSA-N 428.020 4.392 10 20 IICD O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 767965532 XUUAVSFBCHVUIE-YPAWHYETSA-N 427.495 4.142 10 20 IICD Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 768197637 LBWYEQDRVWRXJU-UHFFFAOYSA-N 429.564 4.432 10 20 IICD C[C@@H](NC(=O)Nc1ccn(-c2ccccc2Cl)n1)c1ccc(N2CCOCC2)cc1 769010951 XTRHMGRTDSVISE-MRXNPFEDSA-N 425.920 4.245 10 20 IICD CC(C)(COc1ncccc1Br)NCc1cccc(Br)c1O 772952922 HKJXSMGVSMEBJQ-UHFFFAOYSA-N 430.140 4.259 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773846269 JFIPZPUNFSYIGT-IBGZPJMESA-N 431.536 4.456 10 20 IICD Cc1ccccc1-c1nc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 775872822 VCHLYHUPTREONT-UHFFFAOYSA-N 439.556 4.457 10 20 IICD COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(F)(F)F)cc1 775992481 SOMUTHJAPCYRPB-QRWLVFNGSA-N 437.462 4.196 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCO[C@@H](C)C2)sc(C)c1-c1ccccc1 776407301 DEQKFIKZXXGVPT-WMLDXEAASA-N 445.537 4.197 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 778231342 GMSONZLYVPIDCL-CQSZACIVSA-N 440.535 4.035 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1F 778266320 OCBOISGEAGLGSS-CYBMUJFWSA-N 428.474 4.467 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4c(F)cccc43)cc2F)C[C@@H](C)O1 778621380 VRWCUICNIMOXOD-ZOCZFRKYSA-N 445.510 4.292 10 20 IICD Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)c(C)n1-c1cccc(Br)c1 779447682 PJFQRZUVSVWESB-UHFFFAOYSA-N 430.350 4.039 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 785548943 PPBRQJHIWVBGNV-UHFFFAOYSA-N 444.506 4.354 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1 788938843 FFQUWAGTMQPUOY-UHFFFAOYSA-N 448.567 4.005 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3cc(Br)c(Cl)s3)SC2=S)CC1 790108165 NHZQOMGILLSYNT-YRNVUSSQSA-N 437.837 4.459 10 20 IICD CC(C)c1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1Cl 790490565 PUPRUMMMBNWLQE-UHFFFAOYSA-N 438.959 4.416 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3nnc(-c4ccccc4)n3C)cc2Cl)C1 800050272 RJHNEUMTBGODKT-QGZVFWFLSA-N 437.975 4.231 10 20 IICD Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 805166375 JXJWAHXMUQTEPF-UHFFFAOYSA-N 448.272 4.482 10 20 IICD CCOc1ccc(OCc2nnc(SCC(=O)C(C)=O)n2-c2ccc(Cl)cc2)cc1 808010603 FGHPEEQKXZCQBN-UHFFFAOYSA-N 445.928 4.149 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(-c2cccnc2)cc1 808353640 BXBCSNRBULHSJL-LJQANCHMSA-N 442.563 4.183 10 20 IICD CN(C)CCCOc1cnccc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 812396237 NNRNJVGZSCRFGU-UHFFFAOYSA-N 440.588 4.162 10 20 IICD CS(=O)(=O)c1ccc(OCCN[C@H](CCc2ccccc2)c2ccccc2O)cc1 815577448 QPBIAGCJPZUVND-HSZRJFAPSA-N 425.550 4.138 10 20 IICD CC(C)Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C(F)F)n1 857473063 SMTDXBHAJIBMAE-MRXNPFEDSA-N 440.922 4.230 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2F)C[C@@H](C)O1 917708367 AOPIYMHJZAUQCM-OKILXGFUSA-N 443.500 4.492 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2F)C[C@@H](C)O1 917712545 POIKWCQADCHJRS-QZTJIDSGSA-N 448.542 4.432 10 20 IICD CCOc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC 918174162 VMNRMGQZQQYWHA-KRWDZBQOSA-N 445.535 4.020 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 918429978 RGVXCHWJQNIIRJ-UHFFFAOYSA-N 444.535 4.040 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 919860153 OIMMEJGTOGKUNW-SFTDATJTSA-N 433.577 4.499 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1cccc(F)c1 920090110 ZTTCGOCHNIPEKZ-OALUTQOASA-N 445.554 4.105 10 20 IICD C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 920881812 ROYNODMJAZOZCL-QGZVFWFLSA-N 425.529 4.361 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1116954302 SMFGMHHLSHRXIV-NFBKMPQASA-N 435.572 4.004 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1ccccc1Br 1255918988 HRAZHKUHIULXHY-SFHVURJKSA-N 449.389 4.012 10 20 IICD CC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(O)c(O)c4O)CCC3)cc2)CCC1 1785815232 SPQFBHVGUUYJDW-VZUCSPMQSA-N 436.508 4.141 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291696 ZTMSIFMBRBHTAN-QGZVFWFLSA-N 446.935 4.361 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1F 303384324 WSPJBMRHJJKXDB-UHFFFAOYSA-N 442.535 4.238 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4ccc(O)cc4)n3)cc2F)C[C@@H](C)O1 726381758 QAMYITMCSPYRSK-GASCZTMLSA-N 441.528 4.198 10 20 IICD CN(CCCNC(=S)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 726476963 OHESQHZPZMCVRK-UHFFFAOYSA-N 432.593 4.430 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)cc1 726694633 ACHRLGUKYYGIJQ-UHFFFAOYSA-N 430.499 4.364 10 20 IICD CCOc1ccccc1[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)NC(C)=O 728264257 AGWUUBIRUKKXJQ-DEOSSOPVSA-N 437.584 4.302 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)ccc21 728604574 TYHIKTMQQHAYCT-OAQYLSRUSA-N 434.458 4.387 10 20 IICD Cc1ccccc1COc1cccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 729948056 REGORRMAOOZUGP-UHFFFAOYSA-N 448.538 4.409 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3C(=O)OCc3ccccc3)ccc21 731582750 ATITWVVZFKAPGS-DEOSSOPVSA-N 434.536 4.253 10 20 IICD COc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 731844431 HIBLCYPDYWEAQX-MRXNPFEDSA-N 438.427 4.092 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 734687690 QYTWHXSLTFQFAO-UHFFFAOYSA-N 436.522 4.353 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H]1CN(c2ccccc2)C(=O)O1 735795037 DUPBFWXFFDOAIK-SFHVURJKSA-N 437.521 4.459 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1ccc(N(C)C)c(F)c1 737038162 RJNCNHRCGNCIEH-UHFFFAOYSA-N 429.496 4.013 10 20 IICD COc1cc(N(C)CC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc(OC)c1OC 741799019 SFKTTYPEBQWJKL-HSZRJFAPSA-N 440.565 4.424 10 20 IICD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742416525 AQYINPRQNLJQMF-JJIBRWJFSA-N 430.556 4.065 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1ccc(Br)cc1 743623568 HYZFSVLYHDBOTM-INIZCTEOSA-N 430.346 4.092 10 20 IICD CN(C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 743926509 WNFMLAOBMPBSEA-UHFFFAOYSA-N 444.495 4.450 10 20 IICD O=C1c2ccccc2C(=O)N1CCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 745813608 DMKKBJUOBAIODX-UHFFFAOYSA-N 449.551 4.313 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905366 NNJVZHCHQBZEAP-SFHVURJKSA-N 432.515 4.164 10 20 IICD CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 746949874 AJOITDYMADWETA-ICDZXHCJSA-N 448.611 4.256 10 20 IICD C[C@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 752006369 GFSJZZTZHVXLLE-OFVILXPXSA-N 437.584 4.018 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 752658071 ZFLBYPATGHONOR-UHFFFAOYSA-N 429.977 4.002 10 20 IICD COc1ccc(N2CCC(NCCC(=O)Nc3ccc(Br)cc3C)CC2)cc1 757903407 VDLSWJYWMPRURI-UHFFFAOYSA-N 446.389 4.353 10 20 IICD O=C(CCc1cc(Br)ccc1F)NCc1ccc(N2CCC(CO)CC2)cc1 759131337 GLGKFEWNFNRJNM-UHFFFAOYSA-N 449.364 4.046 10 20 IICD C[C@@H]1CCCCN1Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761007369 ZEIVGNSFSSODFQ-QGZVFWFLSA-N 441.959 4.384 10 20 IICD O=C(NCc1ccc(F)cc1Br)NCc1cccc(Br)c1O 764783349 KWXORHXDZKQSIM-UHFFFAOYSA-N 432.087 4.056 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H](c1cccc(F)c1)c1ccccn1 765532388 GBANYOQZLMAGDV-GOSISDBHSA-N 430.277 4.278 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1-c1ncco1 766439005 UQKJYJIUNNQSOS-UHFFFAOYSA-N 432.524 4.141 10 20 IICD Cc1cc(Cl)c2c(c1)[C@@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCCO2 768509882 XBGUERKLLZEVLC-AVRDEDQJSA-N 427.976 4.354 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 768911046 MVAXNNLSUCVSOH-QGZVFWFLSA-N 431.492 4.427 10 20 IICD CC(C)[C@@H]1C[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1 772496334 SLVUNHJBAADHOK-QBGPEFOPSA-N 438.640 4.049 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3nc4ccc(Cl)cc4n3C)cc2F)CC1 774411825 RRANKYAKQQIRLW-MRXNPFEDSA-N 429.971 4.359 10 20 IICD COc1ccc(O)c(CN2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)c1 775695574 NIPDDZIHTLWNAS-GOSISDBHSA-N 444.329 4.474 10 20 IICD COCCOCc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783482514 HVXCUUZXCYXCAG-LJQANCHMSA-N 447.535 4.165 10 20 IICD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784060882 JGJJWQYWVZPGIW-UHFFFAOYSA-N 436.556 4.055 10 20 IICD COCCn1ccc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc21 784062712 SUGXCGGDRRYRPO-UHFFFAOYSA-N 434.540 4.174 10 20 IICD O=C(Nc1ccc(C2CCC2)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 787482237 VRZDRNPYGXGMTC-UHFFFAOYSA-N 443.494 4.279 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COCCOc2ccccc2)c1 789836603 RIRMCHZFFQZQOD-SFHVURJKSA-N 436.508 4.446 10 20 IICD CCCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC(C)C)c1 790230750 IEMYFVLOVYVADZ-UHFFFAOYSA-N 426.557 4.371 10 20 IICD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(Cl)cc(Cl)c3O)cc2)C1=O 790610981 PKHQXXNTOVUFJS-OAQYLSRUSA-N 434.323 4.214 10 20 IICD O=C(NCCCCc1ccc(Cl)s1)NCc1ccc(N2CCC(CO)CC2)cc1 790851156 QHIZJKGVYGGVHK-UHFFFAOYSA-N 436.021 4.432 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nnc(-c4cc(F)ccc4C)s3)CC2)cc1 791906110 JJXSTDZKGWDBGS-UHFFFAOYSA-N 441.532 4.452 10 20 IICD COc1ccc(CNC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c(O)c1 792973750 HAEZFEDOANLXMD-UHFFFAOYSA-N 425.529 4.016 10 20 IICD CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(OCc4ccccc4)cc3O)c2)C1=O 793346153 HKDVWAYQVKPMMZ-QFIPXVFZSA-N 431.492 4.418 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C1(c2ccc(I)cc2)CC1 800415356 ONKTXZAAXCEZQX-UHFFFAOYSA-N 446.332 4.239 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc2c1CN(CC(F)(F)F)C2 800563909 RERVAZWXPBXSBZ-UHFFFAOYSA-N 444.251 4.354 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 801641997 MEHYWYFKOKLQOM-GOSISDBHSA-N 447.601 4.444 10 20 IICD CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 804131866 ARYNQAKVBZYMJN-JOCHJYFZSA-N 433.552 4.012 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1Oc1ccccc1 804132042 QVFQOZSLLLEZPQ-HXUWFJFHSA-N 441.531 4.349 10 20 IICD CCOc1cc(Br)c(F)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 810340678 OYTPGZRTMDBAGU-SNVBAGLBSA-N 427.270 4.151 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1O 814177374 ZUTXRIIVVRSDDT-SJCJKPOMSA-N 426.391 4.290 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1OC 914070187 UTZXGGKVFKVZGK-SFQUDFHCSA-N 448.591 4.385 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)cc2C[C@@H]1C 915222237 IJTQRROUHXSPEK-AWEZNQCLSA-N 427.551 4.217 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 918307425 WEHZFZCCYWVLQZ-UHFFFAOYSA-N 436.487 4.066 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1OC 920418388 OZJGNBLGGKGBJQ-SFHVURJKSA-N 447.535 4.270 10 20 IICD COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)o2)cc1 920472111 JOQNWJVBILCWLF-UYRXBGFRSA-N 442.562 4.029 10 20 IICD CCOc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCC 920879122 GZDKYIRTZGEGNQ-SFHVURJKSA-N 442.556 4.210 10 20 IICD C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 920882010 JIRVRRALTGOFRP-QGZVFWFLSA-N 439.556 4.130 10 20 IICD O=C(CSc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 1318626173 NASNCJJQYHUTGB-QGZVFWFLSA-N 436.371 4.455 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1)c1cc(O)nc(O)c1 1788427963 KXHHQPFBPHYVLM-UHFFFAOYSA-N 442.475 4.036 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1818959669 ZRZLRKOFOFLDLS-IFIJOSMWSA-N 446.935 4.216 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C=O)s2)C3)cc1 1845398344 CLRCYIHXHWBNAI-UHFFFAOYSA-N 447.560 4.099 10 20 IICD Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccccc3OCC(=O)N3CCCC3)S2)c1 206990258 LSXCAXUFBNWYJI-STZFKDTASA-N 435.549 4.387 10 20 IICD Cn1nc(Br)c2c(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)ncnc21 301181617 ZOAUMSQQSLYSBW-UHFFFAOYSA-N 427.281 4.040 10 20 IICD O=C1/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1CCc1cccnc1 727863785 JLYIYWVVOHCANG-CVNFFVDQSA-N 426.563 4.083 10 20 IICD CN(c1ccc(CNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cc1)C1CCCCC1 729527439 NQBNRHUKXAEWIA-AREMUKBSSA-N 435.612 4.270 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733639229 SPXZHSFKLWKGCI-UHFFFAOYSA-N 439.903 4.081 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1 734695704 ZTLFMIRCLZLJHV-DLBZAZTESA-N 434.492 4.357 10 20 IICD CC(C)OC(=O)NCc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 735176056 DBCBQHFJIMJWRZ-NRFANRHFSA-N 441.528 4.240 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n1 742801923 UPERWDFOUAFQDW-IBGZPJMESA-N 440.494 4.489 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 743097546 KGBGMGGXSRBUAY-UHFFFAOYSA-N 444.333 4.406 10 20 IICD CC(C)c1ccc(-n2cc(O)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1 743339539 SYDHTMRXIGAWMQ-NRFANRHFSA-N 435.524 4.228 10 20 IICD C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 743810736 ZBUKYPVALUJCNE-QGZVFWFLSA-N 445.405 4.104 10 20 IICD CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 744474800 XSDZLFFDIXOGNY-CQSZACIVSA-N 445.496 4.368 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCN1Cc1ccc(F)cc1 747378145 DKYKJGFIQKVMLJ-QFIPXVFZSA-N 447.501 4.177 10 20 IICD COc1ccc([C@H](N[C@@H](C)c2ccc(F)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622410 WUYPUTMPEFADBY-WNSKOXEYSA-N 429.513 4.384 10 20 IICD COc1cc(N2CCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)cc(OC)c1OC 759222451 ZYIHQWNVYFJQEO-OAQYLSRUSA-N 426.557 4.191 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccccc3OC(C)(C)C)CC2)cc(OC)c1OC 759984329 UITACZXCWKFHAS-UHFFFAOYSA-N 443.544 4.244 10 20 IICD C[C@H]1C[C@@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CN1Cc1ccccc1 762232277 YGTLVPMKRPWMLW-PKOBYXMFSA-N 441.959 4.111 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(NC(=O)c2cccs2)cc1 765725988 BGYOOHZOEISCMS-UHFFFAOYSA-N 431.311 4.399 10 20 IICD Cc1ccc(OCc2nc(CC(=O)NCc3cccc(Br)c3O)cs2)cc1 765752486 WTXGUVKUGBXEJN-UHFFFAOYSA-N 447.354 4.358 10 20 IICD CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(N2CCOCC2)c(F)c1 768168600 KLNOJWPBHNOLPX-UHFFFAOYSA-N 426.319 4.040 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc(-c2ncccc2F)n1 768469762 DVNFKJXSOXMUEP-OAHLLOKOSA-N 446.935 4.098 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccccc1OCc1ccccn1 769382560 YESYHDBPKIKUAI-UHFFFAOYSA-N 426.900 4.195 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc2c(c1)CCCO2 771605454 AVHCZIULUIHVFA-UHFFFAOYSA-N 438.534 4.122 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(Oc4ncccc4F)CC3)cc2)CC1 772359809 VTBHGLSLKJNKGJ-UHFFFAOYSA-N 426.536 4.210 10 20 IICD CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc([N+](=O)[O-])c(OC)c1O 774821821 GRZMSVNAFYYDJW-UHFFFAOYSA-N 432.864 4.425 10 20 IICD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775404432 MJCGQYAUVFDKIG-IERDGZPVSA-N 427.545 4.204 10 20 IICD CC[C@@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cc(Cl)ccc1O 775485338 QXPJYXWNSWJTJO-WOJBJXKFSA-N 434.964 4.177 10 20 IICD COc1cc(N[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc(OC)c1 776250888 XRIUMGQEZXUBFR-IEBWSBKVSA-N 426.561 4.117 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1F 784108759 LLICKSXOLPOEFH-UHFFFAOYSA-N 431.483 4.496 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 784691255 IAOWLXWKBFFGLE-UHFFFAOYSA-N 445.567 4.205 10 20 IICD COC1(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CCOCC1 785882385 OUTGIWRWPDGSCT-LJQANCHMSA-N 436.474 4.494 10 20 IICD Cc1cc(C(=O)CN2CCN(C3CCOCC3)C[C@H]2C)c(C)n1-c1ccc(F)c(Cl)c1 785995082 ZGLNBMKRVJCMDM-QGZVFWFLSA-N 447.982 4.254 10 20 IICD COC[C@@H](Cc1ccccc1)N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 788764675 DBZSLTHUISTNSG-OAQYLSRUSA-N 447.526 4.156 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cccc(Br)c1 791251064 XUTRXTINSHRZQV-UHFFFAOYSA-N 447.373 4.380 10 20 IICD CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)C1=O 793355224 BKGMEWNDDBTDTA-IBGZPJMESA-N 437.500 4.032 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)cc1 799202754 BYSHYFDMSKTWIU-PDGQHHTCSA-N 427.503 4.040 10 20 IICD CC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1 806683367 HDMQKGFLXPIPNR-OAQYLSRUSA-N 427.545 4.132 10 20 IICD C[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 807624828 RULGGSQEBUOPBG-GBXCKJPGSA-N 429.564 4.073 10 20 IICD C/C(=C/c1ccccc1OC(F)F)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 810133756 PNKURBFWUWWLHC-MBGNVJMVSA-N 429.511 4.183 10 20 IICD Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([N+](=O)[O-])cc1C(F)(F)F 814827921 GMGUTBPENSBGMJ-OAHLLOKOSA-N 436.434 4.236 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 916502837 NNAQVADJRDBZSQ-VWLOTQADSA-N 443.547 4.405 10 20 IICD CN(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916633452 CSHJQSNYCTXUAE-UHFFFAOYSA-N 425.426 4.023 10 20 IICD Cc1cc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(C)n1-c1ccccn1 917148484 WHTXNSGBLYUFKO-UHFFFAOYSA-N 435.503 4.055 10 20 IICD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(-c3csc(-c4cnccn4)n3)c2C)c1 917625850 YFSSUGOKGBEXBX-UHFFFAOYSA-N 448.504 4.248 10 20 IICD COc1cc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC(C)C 918212563 KBWIPIMZNZEOTK-QGZVFWFLSA-N 445.535 4.019 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2[nH]c3c(c2c1)CCCCC3 919971056 HTPVFDVXSZDPED-UHFFFAOYSA-N 435.543 4.467 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1)c1cc(O)nc(O)c1 1788429313 FIOGGXCZPPZYEA-UHFFFAOYSA-N 435.524 4.211 10 20 IICD CCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821159122 RYCYYCFBKUSGCJ-JOCHJYFZSA-N 449.555 4.160 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3SC(F)F)cc2F)C[C@H](C)O1 108453544 KBAOIRDADVRDJK-STQMWFEESA-N 425.476 4.079 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(CSc3ccccn3)c2)n(C)c2ccccc12 472781194 BQYLHPPCTJHTCK-UHFFFAOYSA-N 444.560 4.429 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(Cc4ccc(F)cc4)CC3)ccc21 484966478 CUKLIBJELJOPKD-UHFFFAOYSA-N 437.559 4.392 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(F)c(OC)c4)CC3)ccc21 566549688 RGOQYLRRCPJXPG-UHFFFAOYSA-N 439.531 4.015 10 20 IICD Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 725736064 PZSVOBRJJXNTSH-MJGOQNOKSA-N 426.561 4.255 10 20 IICD Cc1cc(C)n(-c2ccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)n1 726092718 VULAZDGEXWGDSD-UHFFFAOYSA-N 431.496 4.095 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 727247259 XAZYZQGXYKMUNF-UHFFFAOYSA-N 425.438 4.360 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)cc3C)sc2C)s1 727248685 CPEWSNIQVYRUTN-UHFFFAOYSA-N 435.596 4.234 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@@H](c2ccccc2F)C1 727604466 MDFAWIIXRQWNJW-OAQYLSRUSA-N 449.473 4.179 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 728404678 MUIQCHFLOHHCRT-UHFFFAOYSA-N 431.423 4.127 10 20 IICD Cc1nc(C)c([C@H](C)N(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 730265780 YQZXZFDJOABAQV-AWEZNQCLSA-N 433.533 4.167 10 20 IICD Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 738982027 AZIQRCMPEIQKEV-PBXXJUDPSA-N 448.611 4.380 10 20 IICD CC(C)=CCSc1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 741181738 DZBRMEGGGNOLCA-HXUWFJFHSA-N 437.609 4.377 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(F)c(Br)c1 742581860 VYTQAIOGDCRLKU-UHFFFAOYSA-N 432.337 4.373 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)s1 742689715 JGMHDYVVQNSHJO-CQSZACIVSA-N 437.403 4.139 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3csc(C(=O)OC)c3)sc2C)cc1 743045702 UIWZUMUDRLAELB-UHFFFAOYSA-N 438.552 4.166 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 743046045 MEBKJXMRBZXZII-UHFFFAOYSA-N 444.868 4.329 10 20 IICD Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2C)c(Br)c1 743260122 WNHHLWRNUFHLEM-UHFFFAOYSA-N 435.137 4.335 10 20 IICD CCC(CC)(CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)NC(=O)OC(C)(C)C 745801020 VCHCXVGDXKOTDN-UHFFFAOYSA-N 448.608 4.047 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2oc(C)nc2C)sc(C)c1-c1ccccc1 748207629 XGXKDIKTFXZVNI-UHFFFAOYSA-N 442.493 4.301 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)c1cccc([N+](=O)[O-])c1 749666618 RWWGVZXZTLLAJE-SFHVURJKSA-N 427.482 4.075 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N(CC)CC)c(F)c1 750626241 NHENPJKYAYYJED-UHFFFAOYSA-N 430.524 4.094 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(C(F)(F)F)c1 751359201 IDGTTXIPVDIQMI-UHFFFAOYSA-N 444.431 4.453 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 751937630 SVEJWVKUFCXTRA-VWKPWSFCSA-N 429.586 4.002 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1cccc(Br)c1 753663333 HSJZZWYETPKZGL-AZUAARDMSA-N 445.357 4.067 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3-c3nc(C(C)(C)C)no3)CC2)cc1F 753738380 IQUJKVOARHGDKI-UHFFFAOYSA-N 438.503 4.144 10 20 IICD CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc2c(c1)OCO2 756288010 TULACBLCVLQSQY-BOPFTXTBSA-N 446.575 4.121 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(Cl)c(Cl)c1O 756546898 UTOBVRWWAYBAFX-CYBMUJFWSA-N 431.385 4.378 10 20 IICD COc1cc(N2CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)cc(OC)c1OC 760086777 VNUJFJYYMGAMRA-UHFFFAOYSA-N 449.551 4.035 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)CC3(O)CCCC3)CC2)cc1 762278950 GWENCHZLLVSMAT-UHFFFAOYSA-N 437.584 4.181 10 20 IICD COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 766238038 OFTMLMXZVVHKCO-AEFFLSMTSA-N 433.499 4.272 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(CN3CCOCC3)CC2)cc1 772660747 YXWYVMXBWGCGGT-UHFFFAOYSA-N 435.572 4.352 10 20 IICD Cc1coc2ccc(NC(=O)C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12 773295688 JIWQFCRURIXXKX-UHFFFAOYSA-N 443.450 4.066 10 20 IICD CC(C)C[C@H]1OCCC[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 773662270 UDUKXMDZNRHFMJ-WOJBJXKFSA-N 425.520 4.150 10 20 IICD CCOc1cc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1O 780952889 BHPNRNCVUVYSEA-NIUUYTMRSA-N 432.467 4.191 10 20 IICD COc1cc(OC)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1Cl 782895536 ABUUPXUGVFLOSQ-UHFFFAOYSA-N 446.931 4.363 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)c1ccc(N)cc1 783486718 QVMFUJAQRLAARZ-KRWDZBQOSA-N 443.482 4.327 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2c(F)cccc2Br)cc1 784106292 JYCJGDKIMAMHMT-UHFFFAOYSA-N 434.309 4.332 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)n1 784111461 JFKFXQIPJDKZLJ-UHFFFAOYSA-N 445.523 4.321 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2)CC1 790961746 CUBCUEMNDJUQEJ-UHFFFAOYSA-N 447.333 4.060 10 20 IICD COc1ccc(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(O)c1 794373564 KCOUZBJEAGJSJI-UHFFFAOYSA-N 428.535 4.123 10 20 IICD Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 795058045 CYZSAVSWDPPFJO-UHFFFAOYSA-N 443.551 4.324 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(N4CCNC4=O)c3)cc2Cl)C1 800001775 NBSNDLHNZWEOMH-INIZCTEOSA-N 441.963 4.428 10 20 IICD Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)ccc2o1 800635957 CJPYZYJLTRKMLR-CQSZACIVSA-N 440.931 4.281 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cc4c(nc3O)CCC4)cc2Cl)C1 800706724 HFEWRUSEUFBPSI-OAHLLOKOSA-N 428.964 4.165 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 802609845 MRXYUQPCGKZITL-UHFFFAOYSA-N 433.508 4.134 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1F 803661409 ACMFBDSDAOBRBF-UHFFFAOYSA-N 438.330 4.006 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 803843001 YRASZBVKYFYVHR-LJQANCHMSA-N 431.989 4.108 10 20 IICD CC[C@]1(c2ccc(Cl)cc2)NC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 804148747 PUNPUPSANZUTLN-WAIKUNEKSA-N 427.932 4.095 10 20 IICD CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ccccn1 804700911 ADYSOYVYHZSJOL-DYESRHJHSA-N 442.991 4.245 10 20 IICD Cc1cc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1 812432751 FUKHNFCBWTVTPC-QHCPKHFHSA-N 449.599 4.130 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2nc(O)c3ccccc3n2)cc1 914455069 ZSOFAYGVYVOEOQ-UHFFFAOYSA-N 430.508 4.156 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 915698680 BSLQKFWKRHTFQB-RTBURBONSA-N 425.577 4.205 10 20 IICD C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 916645701 OKEHAOGQBABFJJ-QGZVFWFLSA-N 446.389 4.058 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3cc(F)ccc3F)cc2F)C[C@@H](C)O1 917064097 IZLFMYBCQZYWJW-IXDOHACOSA-N 449.517 4.027 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 917086936 OZPHXGMNFHMFPH-OAQYLSRUSA-N 430.390 4.311 10 20 IICD OC1CCN(c2ccc(CNC(=S)Nc3cccc(Br)c3)cc2F)CC1 917581048 MWOBVZBVWIVXDE-UHFFFAOYSA-N 438.366 4.036 10 20 IICD COc1ccc2oc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c(C)c2c1 917708754 FXNHZZWOZDYEAL-GASCZTMLSA-N 426.488 4.433 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSCCCc3ccccc3)cc2F)C[C@H](C)O1 917713275 KHONZOOZZSOJIA-OALUTQOASA-N 430.589 4.422 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2cccnc2)nc2ccccc12 918138777 SLRQVZIXRPSXLQ-UHFFFAOYSA-N 442.494 4.203 10 20 IICD CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918285067 VYYPFDMGPQBIND-UHFFFAOYSA-N 441.547 4.164 10 20 IICD Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2F)c(C)n1-c1ccccc1Br 918587137 HNDJKSHZCVCBMQ-UHFFFAOYSA-N 430.277 4.347 10 20 IICD Cc1ncc(Br)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 1117094271 OWMQVDAYBJTQQV-GFCCVEGCSA-N 437.769 4.367 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1 1253064581 CQUKKWRTQHIHJZ-UHFFFAOYSA-N 444.940 4.190 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 1318133969 ZXIUJMWCEPESNF-UHFFFAOYSA-N 437.927 4.051 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 1330071801 ZGSMSSTVDWCOHL-VWLOTQADSA-N 437.971 4.114 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290571 APAXULUDHCTCRG-CQSZACIVSA-N 446.916 4.156 10 20 IICD C/C=C/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831364738 NSQHEQHMIJWRKW-SJGBXNLJSA-N 432.948 4.117 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 210444451 BKYXNSVRYYSQIY-PDGQHHTCSA-N 429.519 4.263 10 20 IICD CC1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C(F)(F)F)cc2)CC1 301396254 MQDOKSORGXTNAS-UHFFFAOYSA-N 427.492 4.201 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3nc(Cc4ccccc4)no3)ccc21 427217667 RFRIJHXXCRWJII-QGZVFWFLSA-N 432.524 4.369 10 20 IICD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[N+](=O)[O-])C1 437027102 RFNROQGKJNBERF-IAGOWNOFSA-N 438.528 4.182 10 20 IICD Cc1c(CNC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n(C)c2ccccc12 471276541 IYYITXDYTHMTDR-IBGZPJMESA-N 435.528 4.109 10 20 IICD CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 542996101 VORFDESPMQXLRZ-UHFFFAOYSA-N 441.616 4.405 10 20 IICD CCC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(N2CCCC2)c1 725851059 HOZKOIYFEMACBY-IBGZPJMESA-N 446.935 4.451 10 20 IICD Cc1ccc([C@@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)N2CCOCC2)cc1 726103252 QMELKNVVVQDTNP-XMMPIXPASA-N 449.551 4.079 10 20 IICD COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC1=S 727490255 IGXHPZVXXKEAQG-UYRXBGFRSA-N 430.526 4.077 10 20 IICD CCN1CCN(c2ccc(CNC(=O)CCCCOc3cccc(C)c3)cc2F)CC1 730192742 MPVXGWMTCAMENU-UHFFFAOYSA-N 427.564 4.142 10 20 IICD CC(=O)c1cccc(NC(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1 731035970 CKGXIZGVGYAEPI-UHFFFAOYSA-N 437.540 4.305 10 20 IICD CCc1cc(O)nc(-c2ccc(NC3CCN(c4ccc(OC(F)F)cc4)CC3)nc2)n1 731662734 RWYXYMWSMXECMZ-UHFFFAOYSA-N 441.482 4.489 10 20 IICD Cc1cc(C(=O)CONC(=N)C2CCOCC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 732570860 WWBDGSAUPKSTKG-UHFFFAOYSA-N 439.434 4.101 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 732752078 ALIDVHGPYKNVDJ-UHFFFAOYSA-N 444.601 4.430 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C2CC2)cc1 734392930 PTTHQXXEOFSZNU-FYYLOGMGSA-N 425.960 4.117 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccc1I 734407341 OMPVACMPDRCVSP-UHFFFAOYSA-N 428.701 4.249 10 20 IICD COc1ccccc1-c1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 742367967 NQPNRJMNTXVZRP-HSZRJFAPSA-N 429.564 4.354 10 20 IICD Cc1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 742749646 JAZOAMUUSOFAHE-QFIPXVFZSA-N 425.573 4.294 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(OCc2cn3ccccc3n2)c1 743718772 KZUQJDNUCFRJAB-UHFFFAOYSA-N 427.504 4.428 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1=NS(=O)(=O)c2ccccc21 743791456 BREIHUOEUSDCET-UHFFFAOYSA-N 433.493 4.121 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCN(Cc2ccccc2)CC1 743808661 BHQBBROLJTZXIP-UHFFFAOYSA-N 431.374 4.415 10 20 IICD Cc1sc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1C 744474802 XSGBVWDXMVGJQQ-UHFFFAOYSA-N 433.485 4.244 10 20 IICD CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(C)ccc2-n2c(C)ccc2C)cc1 745242869 SFQBXKHIRSIJTO-UHFFFAOYSA-N 432.520 4.121 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cncc(Br)c3)n2)cc1 747855785 AZXLCIUHMAOPCH-UHFFFAOYSA-N 442.385 4.490 10 20 IICD CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cs1 751307238 HRRUDFLTGOWMRM-UHFFFAOYSA-N 434.525 4.019 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 753558759 UIXJSIRBUUJHNK-SFHVURJKSA-N 434.544 4.245 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1 755186919 FRWBMMPRJLTQOA-UHFFFAOYSA-N 445.144 4.077 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCc3csc4ccccc34)cc2)C1 755208837 DKEOKWBERFVHDX-IBGZPJMESA-N 435.593 4.242 10 20 IICD Cc1cc(NC(=O)/C=C\c2cncc(F)c2)ccc1N(C)C(=O)/C=C\c1cncc(F)c1 757708864 RILGGYSIXHIRQV-VHOZIDCHSA-N 434.446 4.391 10 20 IICD CCN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(O)c2cc(OC)c(OC)cc2n1 768164364 YYTQLDKMMXDHRY-UHFFFAOYSA-N 436.556 4.365 10 20 IICD C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 768200210 OYTRFCXQNRMAJM-IBGZPJMESA-N 431.621 4.021 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1 772826959 JAAZVFDPVJEUFU-UHFFFAOYSA-N 447.513 4.301 10 20 IICD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OCc2ccccc2)c1 773858011 NTESTICVSSMMQY-IBGZPJMESA-N 431.536 4.456 10 20 IICD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775404436 MJCGQYAUVFDKIG-KKSFZXQISA-N 427.545 4.204 10 20 IICD COc1cc(O)c(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1OC 777483637 YPTNLLKNLHYJRS-DEOSSOPVSA-N 441.549 4.001 10 20 IICD Cn1nc(Br)cc1/C=C1\SC(=S)N(CCSc2ccccc2)C1=O 778248958 SDQGVSPFIIIDQG-LCYFTJDESA-N 440.413 4.176 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 779525874 NIKFIFRLRAKTAD-JHEAYKPVSA-N 437.879 4.441 10 20 IICD Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3cnn(C(C)C)c3n2)cc1 782250162 VRBYMWLGEHLQRZ-UHFFFAOYSA-N 445.475 4.439 10 20 IICD COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783484116 AAHSNVWOMUHOCP-KRWDZBQOSA-N 431.492 4.097 10 20 IICD C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1F)c1ccc(N2CCOCC2)cc1 786170134 UVYPEEXPCZYJKH-GFCCVEGCSA-N 440.288 4.447 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1 789369468 CIFPIMOFNAOLNO-UHFFFAOYSA-N 444.579 4.376 10 20 IICD COc1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(O)c1 792893252 OWAXASBIUGFMMH-HNNXBMFYSA-N 437.471 4.353 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 797668141 KAKIBDWSXYFFKO-GOSISDBHSA-N 449.580 4.142 10 20 IICD O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3nc4c(s3)COc3ccccc3-4)cc21 800925731 XCXVTKDJJYFUAP-UHFFFAOYSA-N 432.910 4.286 10 20 IICD CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](C)c1cc2ccccc2o1 803300694 KFZPXZNXZRDBGL-OALUTQOASA-N 449.551 4.056 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 809974310 SNABVURBRGJZRC-UHFFFAOYSA-N 445.585 4.228 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)n1-c1cccc(Cl)c1 812276731 MJCLLDAFVJMBFF-OAHLLOKOSA-N 441.881 4.278 10 20 IICD CC(C)(C)OC(=O)N1CCOc2ccc(NCc3ccc(N4CCOCC4)cc3)cc2C1 812784824 JYTAIKSUXMJBBE-UHFFFAOYSA-N 439.556 4.265 10 20 IICD COc1ccc(N2CCCN(CC(=O)N[C@H](c3ccccc3)c3cccs3)CC2)cc1 917090004 SQSSNFSINUAGMO-RUZDIDTESA-N 435.593 4.175 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(CC(F)(F)F)C(C)C 917191929 VCYXAQFAWDSKMW-UHFFFAOYSA-N 443.491 4.233 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cccc(COCc4ccco4)c3)CC2)cc1 918006841 PNKFPNGAQOUGIV-UHFFFAOYSA-N 449.551 4.427 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 918199963 KVCVLLKYIUJNQW-UHFFFAOYSA-N 440.569 4.220 10 20 IICD Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 920870865 SNPRXLIULGPING-DLBZAZTESA-N 446.389 4.272 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(OC)c3Br)CC2)cc1 1320350525 XHCMOINSWVHGFP-UHFFFAOYSA-N 434.334 4.211 10 20 IICD Cc1sc2nc(SCC(=O)NCc3ccc(N(C)C)cc3)n(C(C)C)c(=O)c2c1C 18544763 OPLCJKHFBKUZBI-UHFFFAOYSA-N 444.626 4.130 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 726561727 OCWTXZOYVANVKN-RTWAWAEBSA-N 429.358 4.346 10 20 IICD Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1Cc1ccccc1 726567386 JVJDAOAFHREMAO-UHFFFAOYSA-N 440.494 4.240 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc(OC)c1 726627885 VSDKUILBCGNXIM-ZHZULCJRSA-N 428.579 4.432 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)cc1 727090628 DCLNQAADGOEEBF-UHFFFAOYSA-N 425.529 4.234 10 20 IICD O=C(Cc1csc(-c2ccoc2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 737553422 BWOMCIHOTARUKV-UHFFFAOYSA-N 433.480 4.332 10 20 IICD Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1-c1ccccc1Br 741711192 IKBJWZQZCSYQSP-UHFFFAOYSA-N 435.362 4.172 10 20 IICD COc1ccc(N2CCN(CCNC(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 742911088 RKNZJPSEQUATRT-UHFFFAOYSA-N 439.412 4.111 10 20 IICD CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c2ccccc12 743046351 CEXHYHVWRKDTRU-UHFFFAOYSA-N 428.539 4.285 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3ccc4c(c3)CCCN4C)cc2)cc1 746705770 XRMCIHDNYLEOBI-UHFFFAOYSA-N 449.576 4.173 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc2)CC1 747964002 NAWFVTJVEVYSJR-OAQYLSRUSA-N 435.616 4.343 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cccc1C(=O)N1CCSCC1 748774270 NRSXCDQEHCKEGS-UHFFFAOYSA-N 434.565 4.239 10 20 IICD O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749405128 CCXHHPKFIWBXPV-UHFFFAOYSA-N 441.330 4.179 10 20 IICD O=C(NCCCSc1nccs1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 753218492 AYUQSHTYBGFEHG-INIZCTEOSA-N 434.635 4.380 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nnc3n2CCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 754664727 AFMQBNFOBDWGHQ-UHFFFAOYSA-N 432.355 4.253 10 20 IICD COc1ccc(Br)c(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)c1 758547336 SQSWUEXGDORWJO-UHFFFAOYSA-N 432.362 4.182 10 20 IICD C[C@@]1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCS1 758605959 NBBUYNCVVBTQTH-RMHQSFGDSA-N 426.654 4.131 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(c2ccncc2)CC1 758890218 ZGUZECDRSUNSNI-IBGZPJMESA-N 430.499 4.241 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 759156872 DZHAPAMRKLQLIX-UHFFFAOYSA-N 425.875 4.181 10 20 IICD COc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc34)CC2)cc(OC)c1OC 759242506 ZLDYLRXAERXNHF-GOTSBHOMSA-N 446.547 4.318 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(N2CCCCC2)c(F)c1 765241850 DVTDRJNKELTENK-SIKLNZKXSA-N 438.591 4.369 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc(C(=O)N2CCCCC2)c1 765251601 IVUGBLXHPFXZEP-UHFFFAOYSA-N 432.318 4.103 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767475959 VCTXSTONNUXKHK-SNVBAGLBSA-N 436.288 4.054 10 20 IICD COc1cc(N(C)Cc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)cc(OC)c1OC 772188438 PGBXEYDJWOVVLE-LBPRGKRZSA-N 428.558 4.061 10 20 IICD CS(=O)(=O)C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1 774280034 DSCVTXNAZOEOBJ-OAQYLSRUSA-N 430.570 4.022 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1 775209180 UEYAZBFGQFUBBE-UHFFFAOYSA-N 429.523 4.162 10 20 IICD Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 776126285 AWCKDOJZOPAGBP-OAHLLOKOSA-N 447.377 4.213 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1F 776133676 IKMHPACZXDNHRI-UHFFFAOYSA-N 431.527 4.090 10 20 IICD C[C@H]1CN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)cn2)C[C@@H](C)O1 777705886 XAXFSDQBCZCFRI-FGTMMUONSA-N 430.980 4.358 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1O 779048691 ZQSLWZDGPOFUHM-KBPBESRZSA-N 444.333 4.427 10 20 IICD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 782249364 INMHKFMYCKIASZ-CQSZACIVSA-N 446.573 4.126 10 20 IICD CCc1cnccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 783015633 DCESHQPZRUONDE-JKSUJKDBSA-N 427.504 4.097 10 20 IICD CCCNC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783482370 GVBYQWAFIRRWMU-GOSISDBHSA-N 444.535 4.142 10 20 IICD COC(=O)N(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783486535 OCCYBIPLRFYNIN-KRWDZBQOSA-N 446.507 4.204 10 20 IICD Cc1c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cnn1-c1ccccc1F 784109534 VVWUGCCEQJEBEX-UHFFFAOYSA-N 435.503 4.064 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 784627572 FVSUMVBARJBAGB-SANMLTNESA-N 428.580 4.389 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(C4CCC4)cc3)CC2)cc(OC)c1OC 786230277 JIJUUYYCBWFLBB-UHFFFAOYSA-N 425.529 4.334 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cncc(-c4ccc(Cl)cc4)c3)cc2)CC1 786254444 DHCBSCMJBWMLRC-UHFFFAOYSA-N 448.954 4.001 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(\C)c3cccc(C(F)(F)F)c3)cc2)CC1 786257602 RGGNKFLSQPEKLE-SAPNQHFASA-N 445.485 4.094 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1nc(-c2ccccc2F)cs1 787425420 KPAZGBTYHLYVDM-UHFFFAOYSA-N 440.544 4.127 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 791249923 LZZOKFCFMCYHNK-UHFFFAOYSA-N 438.503 4.014 10 20 IICD O=S(=O)(CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Cc1ccccc1 794427366 UNMKRHPHRCPSBH-NRFANRHFSA-N 442.606 4.436 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c(F)cc1F 799186658 FSVNNWZPGOMJJO-UHFFFAOYSA-N 449.504 4.391 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCOCC4)cc3)s2)c(F)c1 800328875 VOLNLHSSFIUWSU-UHFFFAOYSA-N 441.528 4.033 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)cc1OCCC(F)(F)F 800593948 UITFHEBCDGRWNJ-UHFFFAOYSA-N 441.425 4.315 10 20 IICD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 800719343 JOISHPHNAUHUOF-QUCCMNQESA-N 449.039 4.270 10 20 IICD CC(C)CCn1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C(C)C 807511948 GIGYDABKNUPLRX-UHFFFAOYSA-N 441.359 4.320 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 807513975 ZTAQFJSFHSASRD-UHFFFAOYSA-N 440.283 4.217 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc4c(c3)CCC4)no2)c1)c1cccs1 810321522 MJUMPPQGZVCWHM-UHFFFAOYSA-N 439.518 4.460 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1NC(=O)C1CC1 815257471 LNWUZDBQXOAFGG-UHFFFAOYSA-N 429.467 4.035 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(F)ccc1Br 816940412 BYWRDXWXCOWGJD-UHFFFAOYSA-N 432.087 4.114 10 20 IICD CN(C)c1ccc(CN(C(=O)Cc2cc3c(cc2Br)OCCO3)C2CC2)cc1 914485379 SYGOICCKFCSZCP-UHFFFAOYSA-N 445.357 4.020 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1OCC 915748890 OHYXZLUHJQCWKF-UHFFFAOYSA-N 449.551 4.189 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3cccc(C(=O)O)c3)C1=O)O[C@@H](C)C2 916549200 GGWLPOOVPKVGAM-HPAYWCODSA-N 427.503 4.123 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC(c1ccccc1)c1ccccc1 918186343 CKNDEIQCTUTOCF-UHFFFAOYSA-N 433.527 4.294 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccnc1Oc1ccccc1 918308773 PLOVZDFWVYGBAJ-UHFFFAOYSA-N 444.535 4.461 10 20 IICD CCC(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1831356229 KXKIGULQGCHJOE-XMMPIXPASA-N 449.595 4.307 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCCCN2C(=O)NC3(CCCC3)C2=O)cc1 15184151 KVPIBIKAOOVUBZ-UHFFFAOYSA-N 434.584 4.057 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1OC1CCCC1 108193722 IJYMHOJWHRXSSM-UHFFFAOYSA-N 426.582 4.500 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 108430342 DZAURVBWCPSDCL-UHFFFAOYSA-N 425.529 4.395 10 20 IICD NS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(C(F)(F)F)c1 462781183 XAGUTMAPIMDQHP-UHFFFAOYSA-N 439.434 4.267 10 20 IICD Cc1cc(-c2nc(COc3ccc(Cl)cc3)no2)ccc1NC(=O)C1=S=CC=C1 544810472 BMTJUTRZLXYCNI-UHFFFAOYSA-N 425.897 4.494 10 20 IICD CC(=O)Nc1cccc(NC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726494171 QQJAWGUXGUSULO-UHFFFAOYSA-N 434.512 4.202 10 20 IICD CCOCCOc1ccc(Cl)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 728393403 VKMIMBDOAFKXNQ-UHFFFAOYSA-N 447.963 4.256 10 20 IICD CCCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 730235376 UQHUHQOXAJWRPA-UHFFFAOYSA-N 440.607 4.130 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 730971296 PLKBLAKXYGAQCL-UHFFFAOYSA-N 425.819 4.248 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3cccc(N4CCOC4=O)c3)cc2)CC1 731117241 ZDMYEMUGVDEFQH-LJQANCHMSA-N 436.556 4.440 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)c1 734072879 SCPBZOGPKXNSHK-UHFFFAOYSA-N 428.554 4.389 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)c1C 735409122 XFIWEULZHUSUQB-UHFFFAOYSA-N 443.550 4.121 10 20 IICD O=C(Nc1ccc(OCC2CCOCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 737027959 ZTGUKEIGEWGYMC-HSZRJFAPSA-N 440.540 4.411 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(Br)ccc3F)cc2)CC1 737192487 ZVRBRIUTPHVHNB-UHFFFAOYSA-N 448.336 4.079 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)c1O 737286179 SANDRRQYZKSQHP-UHFFFAOYSA-N 436.533 4.424 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OCC(F)(F)F 738951922 MLFFJPDAUWAAIE-UHFFFAOYSA-N 441.425 4.234 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cccc(OC(F)F)c2)NC(=O)OC(C)(C)C)cc1 742754958 SPVBVKJQOGCEDF-LJQANCHMSA-N 449.498 4.350 10 20 IICD C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2NC1=O 742801018 WQFKVQGUAABGRT-DZGCQCFKSA-N 447.507 4.120 10 20 IICD C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 743810735 ZBUKYPVALUJCNE-KRWDZBQOSA-N 445.405 4.104 10 20 IICD Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744474081 PEIFMGHCDJWGNK-INIZCTEOSA-N 427.456 4.263 10 20 IICD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(F)c1 744474784 XJUYRVFWHRPNTL-AWEZNQCLSA-N 431.419 4.094 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 746473526 URTBKIGNEFUKCS-RTWAWAEBSA-N 428.558 4.328 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nc[nH]n2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 746478353 XOOFBSRUBACRMG-UHFFFAOYSA-N 425.842 4.199 10 20 IICD CCCn1c(/C(Cl)=C\c2ccc(Cl)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 749000337 XAKICBIHFHIBTG-XNTDXEJSSA-N 439.368 4.482 10 20 IICD O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H](NCc2ccc(N3CCSCC3)cc2)C1 751597695 YFEUXWUSAFZIJO-IRLDBZIGSA-N 449.620 4.327 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 761807076 RZLLQDZQTLKPTQ-DEOSSOPVSA-N 434.584 4.010 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CC(=O)N(Cc5ccccc5)C4)no3)ccc21 762342706 SYIWTUPRZBEDQA-NRFANRHFSA-N 444.535 4.471 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1Cc2ccc(Br)cc2C1 765230730 SYBAIYCTHUDJEF-UHFFFAOYSA-N 432.387 4.228 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 765231707 XMLMAAJLXYZIOE-ZUXGEGRZSA-N 441.547 4.159 10 20 IICD O=Cc1ccc(OCc2occc2C(=O)NCc2cccc(Br)c2O)cc1 765771212 VPNKNAZKASVYSB-UHFFFAOYSA-N 430.254 4.069 10 20 IICD COc1cc(Br)cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1O 769191583 AFZFGBVGZNGRFS-UHFFFAOYSA-N 447.373 4.000 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC(C)C)cc3)n2)cc1 773365146 PIZIWRXOIHFQQW-UHFFFAOYSA-N 431.539 4.357 10 20 IICD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773856538 IZSBMZOCYKQWQH-INIZCTEOSA-N 440.544 4.224 10 20 IICD CC(C)(C)C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 775133143 WFQSUBPGIUAPTP-JOCHJYFZSA-N 427.564 4.046 10 20 IICD C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 775834248 MMLKKISVIRRHPH-KRWDZBQOSA-N 434.515 4.433 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)n2)ccc1F 776089987 YRHKOSULRNVXRC-UHFFFAOYSA-N 437.909 4.063 10 20 IICD O=C(O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776743592 KIBHXXCWQIWLLS-UHFFFAOYSA-N 444.465 4.307 10 20 IICD Cc1cc(-c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3cnn(C(C)C)c3n2)c(C)o1 782249435 LYCGMKUTZFCNES-UHFFFAOYSA-N 449.463 4.340 10 20 IICD COc1c(F)cc(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483386 VIUMPTMYDQADRY-CQSZACIVSA-N 425.435 4.289 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1 785191461 BGJWJHPRLMPEIS-UHFFFAOYSA-N 449.345 4.238 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H](C)c1ccccc1C(F)(F)F 788932924 RWMQTFGIDHXBLM-DLBZAZTESA-N 447.501 4.230 10 20 IICD CC(C)(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 791155678 QCHNILWEEUUXEJ-RTYFKUQISA-N 438.640 4.003 10 20 IICD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(C2CCC2)c1 798405153 AQOHLBUNNDDLLX-UHFFFAOYSA-N 445.542 4.140 10 20 IICD CC(C)c1ncc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 799597752 WIANLKGFFKJUJA-QGZVFWFLSA-N 433.503 4.012 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2F)cc1)C1CCCCC1 802552359 FBHNULDNTHZIKI-UHFFFAOYSA-N 449.473 4.451 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 806457773 BNVQXMJOWDRBFV-MOPGFXCFSA-N 439.522 4.120 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3C)SC2=S)c1 806548488 DUASJGKFQBAEEK-VCHYOVAHSA-N 431.535 4.435 10 20 IICD Cc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812394135 PAVISDHPXALUHD-FPOVZHCZSA-N 437.613 4.331 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(CS(C)(=O)=O)CC2)cc1 817040185 OZFOUULOFZWUEX-UHFFFAOYSA-N 428.558 4.065 10 20 IICD C[C@@H]1CN(S(=O)(=O)c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)C[C@@H](C)O1 863991261 UBCCGIBYQZKGAV-WOJBJXKFSA-N 443.613 4.087 10 20 IICD CC(C)Oc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 916401625 CMRAPMWYSDPNIS-UHFFFAOYSA-N 430.416 4.410 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 918139447 DJMXSPLABJQECK-HUUCEWRRSA-N 442.922 4.413 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 919653461 AGBIVAJHCNNFKC-UHFFFAOYSA-N 447.583 4.117 10 20 IICD COc1cc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OCC(C)C 919789926 AFUSOFSBFPDBAI-IBGZPJMESA-N 441.572 4.127 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c(C)n1-c1cccc(Cl)c1 919986752 BKUJVZBSPMNRIU-UHFFFAOYSA-N 427.957 4.407 10 20 IICD Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 920880761 GNRYYACQWDAJOX-QGZVFWFLSA-N 437.565 4.358 10 20 IICD COc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCOCC3)c(F)c1)c(C)n2C1CC1 1319499665 XZCWMCQHLKZIQW-UHFFFAOYSA-N 437.515 4.199 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCCc3nc(Cc4ccccc4)no3)c2C)cc1 1353925117 RLWMJAMVTRGFAQ-UHFFFAOYSA-N 430.508 4.049 10 20 IICD c1ccc(Cn2cc(CNCc3ccc(N4CCOCC4)cc3)c(-c3cccnc3)n2)cc1 236623680 RPKRMONFSFYQHX-UHFFFAOYSA-N 439.563 4.120 10 20 IICD Cn1ccnc1[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1F 726085763 FASKJIMXIXEVMX-QFIPXVFZSA-N 434.471 4.359 10 20 IICD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 726287896 QLNLXMJCUUUFFD-UHFFFAOYSA-N 449.290 4.468 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1F 726628814 DEMWNVNTUCTEEI-LSCVHKIXSA-N 435.498 4.266 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cc(OC)cc4c3O[C@H](C)C4)SC2=S)cc1 727860744 JWBQEWBJLVTCGA-OTGIAGGSSA-N 427.547 4.429 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N(C)Cc3cccc(F)c3)ccc21 728637025 GTJGFORRIOMAHU-GOSISDBHSA-N 440.515 4.248 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(NC(C)=O)cc3)ccc21 728637772 PVSCMAJEZZKIJF-KRWDZBQOSA-N 436.508 4.291 10 20 IICD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)cc1 731016204 GHYIPEKEDCHBIC-XMMPIXPASA-N 433.596 4.400 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 731016763 YBVJOBFNNPZJJK-UHFFFAOYSA-N 447.000 4.199 10 20 IICD COc1ccc(O)c(CNC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c1 734069754 OGHNLIYPMIMXNK-GFCCVEGCSA-N 425.348 4.143 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1Br 734143452 CFYJOCAOZFHPTQ-IAGOWNOFSA-N 446.389 4.233 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 743181878 VLIIASGPLXHHNF-SFHVURJKSA-N 435.318 4.376 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(Oc2ccccn2)c1 743239977 LWWXPTQRNNWECQ-UHFFFAOYSA-N 436.487 4.296 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@@H]1CCc2ccccc2C1 743283776 DYMYDZBNHPMDGU-GTNUZRKBSA-N 436.537 4.165 10 20 IICD C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 743557497 MITUAIGWYMKNJD-HOCLYGCPSA-N 434.443 4.225 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 743717761 GJPJIXRNZOMAJI-HXUWFJFHSA-N 447.362 4.499 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 743808862 HQUDXIHKTRTESQ-OAHLLOKOSA-N 431.330 4.094 10 20 IICD CSc1ccc(F)cc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 745647697 GTLFNCFODNOHMW-GASCZTMLSA-N 435.540 4.300 10 20 IICD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 745691742 MZBHAYUYTZLAON-HVCNVCAESA-N 448.611 4.174 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1ccccc1F)C1CCCC1 746945873 FSGKAKDXYVYLHR-UHFFFAOYSA-N 443.538 4.498 10 20 IICD COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cn2)cc1 747443963 UQNARBHIXZPBNS-UHFFFAOYSA-N 443.507 4.190 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)cc1)C1CCCCC1 748979613 ABTPGUWOTKHBRH-UHFFFAOYSA-N 445.510 4.354 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)cc2)C1 751082007 NSLYEWULQJINGC-SQJMNOBHSA-N 446.595 4.140 10 20 IICD CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 751716765 LKEAROBGEAILCT-SFHVURJKSA-N 433.593 4.032 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3sc(C)nc3-c3ccc(C)cc3)CC2)cc1F 753739657 UTPOCOLIVIHUCR-UHFFFAOYSA-N 439.556 4.466 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 754937930 RPUUMDLHLRNFAN-CYBMUJFWSA-N 441.871 4.057 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccco1)Cc1ccccc1O 756319756 OZXZCPRXFMRVRX-UHFFFAOYSA-N 430.508 4.429 10 20 IICD C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O 756872976 FOUFTOHIIDMFMX-FOIQADDNSA-N 444.532 4.283 10 20 IICD C[C@@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)c(F)cc1O 757640782 UOJBSDSQAHSIIA-RHSMWYFYSA-N 437.353 4.101 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c1 758282838 HVJVQMZVKKCBSJ-UHFFFAOYSA-N 437.477 4.060 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 758603402 CSCRZUBVOBMWQM-UHFFFAOYSA-N 431.543 4.286 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C 760148649 ZRJSYWUOIGYBGH-UHFFFAOYSA-N 433.556 4.292 10 20 IICD Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 761961016 MPHWEZMRRSOVHT-UHFFFAOYSA-N 444.373 4.249 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 761972247 HXTJZMUFTALORE-QVKFZJNVSA-N 426.513 4.113 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccccc1OCc1cccc(Br)c1 762269143 YGYWGJRCONTOHY-UHFFFAOYSA-N 442.309 4.412 10 20 IICD C[C@H](N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N2CCOCC2)c(F)c1 765703373 IAGYDHATAWQFFZ-LPHOPBHVSA-N 448.380 4.354 10 20 IICD CN1CCC(N2CC[C@@H](N(C)C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)C2)CC1 772692740 KQRNWXIQRZNDII-HSZRJFAPSA-N 448.615 4.409 10 20 IICD COc1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Br)c1 776158759 UKOZNJRUFKAIIL-DOTOQJQBSA-N 446.389 4.010 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)C2CCCCC2)cc1 784057767 FJJWFIJFEOZKRL-UHFFFAOYSA-N 448.567 4.199 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 784106711 MTMSPVFELOIFSI-UHFFFAOYSA-N 435.524 4.472 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1Cl 784109814 YKIPJKMOPJJMSZ-UHFFFAOYSA-N 428.920 4.043 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1O 788651284 KFBNSEMWVMLKLD-HNNXBMFYSA-N 442.503 4.436 10 20 IICD Cc1cc(Br)cc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c1O 793606179 PRNHIABSDDYGOO-HXUWFJFHSA-N 446.389 4.241 10 20 IICD CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)ccc1C 795552811 DQMCPPJNJPYNKA-UHFFFAOYSA-N 437.568 4.169 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCc3sccc31)c2[N+](=O)[O-] 798216031 AWOOWQYCMIFCIB-UHFFFAOYSA-N 432.457 4.415 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)cc2)CC1 799923089 ASVCLORYOAPDEY-VWLOTQADSA-N 444.579 4.325 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1)c1ccc(N(C)C)cc1 804974485 LIGGYVDFWPLWDZ-KRWDZBQOSA-N 435.499 4.178 10 20 IICD CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 804990039 SYKUXDYYOVYPMS-UTKZUKDTSA-N 427.545 4.052 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nn1C1CCCCC1 810301119 RAXSMSCNAIBLSL-UHFFFAOYSA-N 429.540 4.119 10 20 IICD COc1ccc(O)c(CNc2nc(NCc3cc(OC)ccc3O)c3ccccc3n2)c1 811805191 LSSGIVPPIQSRSN-UHFFFAOYSA-N 432.480 4.282 10 20 IICD CCOCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)no1 812316361 GTMVSHMCWMEUDY-ZDUSSCGKSA-N 447.333 4.267 10 20 IICD CCN1CCC(NC(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CC1 814771735 DEGKJCYGRKYEHG-WOJGMQOQSA-N 445.635 4.205 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(-n3cnnc3)cc2)cc1 857450444 WSJJHHOUBFFRDG-UHFFFAOYSA-N 441.535 4.118 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3c(Cl)cccc3Cl)cc2F)C[C@H](C)O1 917180566 CRPWMSNIWCFYMG-KBPBESRZSA-N 441.330 4.441 10 20 IICD Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917715881 YDSMZDHOECMUMJ-GASCZTMLSA-N 425.479 4.365 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccn1Cc1cccs1 918324018 VPGYFEWVXALLIV-UHFFFAOYSA-N 449.498 4.383 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CC(C)(C)C 919701350 XXXJEOCEDRKECW-SFHVURJKSA-N 427.568 4.021 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)C)c3)C2=O)cc1OCC(N)=O 1319160291 CVJZOHSEHDGPJH-VXLYETTFSA-N 442.562 4.089 10 20 IICD C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 16387026 ZVZPPRNXHHQNOC-MRXNPFEDSA-N 436.383 4.139 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2cccc(C(F)(F)F)c2)CC1 303237944 ZIZRPYPBIZOXSA-UHFFFAOYSA-N 432.486 4.262 10 20 IICD CC(=O)N(CCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)Cc1ccccc1 726141800 YPMPUBGSPGFDFZ-UHFFFAOYSA-N 433.552 4.313 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1 726563224 WFVPZUNKYSTETG-RTWAWAEBSA-N 429.358 4.346 10 20 IICD O=C(NCCCN1CCc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610321 LFIKCHBBRMSKKL-UHFFFAOYSA-N 444.526 4.009 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1Br 727176227 HYMPWGVWZHQQCX-OQLLNIDSSA-N 443.432 4.247 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c[nH]nc2c1 727723672 DXWKZFTWWFOBED-MHWRWJLKSA-N 428.564 4.245 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2cccnc2)c(C)n1-c1ccc(Br)cc1 727737651 HKXNHAAKXGKPAL-UHFFFAOYSA-N 441.329 4.010 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)c1 728312067 KGYRTLMDGLIUOE-OCKHKDLRSA-N 438.509 4.376 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(OCc4cscn4)c3)CC2)cc1 730666199 ZVMSMMMXNRBZQU-UHFFFAOYSA-N 438.553 4.475 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1c(F)cccc1F 734771267 RXCURSIECNIFLO-JKSUJKDBSA-N 440.412 4.240 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](OC)c3ccc(Cl)cc3)CC2)cc1 736402968 NILZJQOPABRLLI-OPAMFIHVSA-N 431.964 4.393 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 736403293 RXCNTISJVPUTLY-HXOBKFHXSA-N 445.991 4.124 10 20 IICD CC(C)Cn1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 742845740 VCQSSHWGRKAHRO-CXUHLZMHSA-N 434.612 4.221 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NC1(c2cccc(C(F)(F)F)c2)CCC1 745749462 MXNBGKIRNHZODB-UHFFFAOYSA-N 433.474 4.421 10 20 IICD CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903412 GADJAEWBCBSXPY-FQEVSTJZSA-N 446.542 4.030 10 20 IICD CCS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 748959854 LXYHLPBYHQKYBT-WMZOPIPTSA-N 445.551 4.406 10 20 IICD O=[N+]([O-])c1cc(CNc2ccccc2CN2CCC(CO)CC2)ccc1N1CCCCC1 754889670 AWMBDQKQDKBBEN-UHFFFAOYSA-N 438.572 4.402 10 20 IICD CC(C)C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1O)C(=O)Nc1nccs1 756782058 LMMZVVJULAZAEL-QMTHXVAHSA-N 430.343 4.454 10 20 IICD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 758162367 KNLRPXGUCINCIQ-UHFFFAOYSA-N 442.074 4.171 10 20 IICD Cc1cc(-c2csc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)c(C)n1-c1ccc(F)cc1 763485540 JSGUZCYTUVOAGT-UHFFFAOYSA-N 426.433 4.240 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 768909845 BQKDZTDFYRAFMD-HNNXBMFYSA-N 438.455 4.048 10 20 IICD COc1cccc(CN2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)c1O 769403947 LSIPMVCRXBQPAI-KRWDZBQOSA-N 444.329 4.474 10 20 IICD CSc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770746814 VNQREDOUDRBOGP-OAHLLOKOSA-N 449.523 4.042 10 20 IICD COC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl 771527198 WMCFKMZYQSAEOP-UHFFFAOYSA-N 431.920 4.154 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc(N2CCN(C)CC2)cc1 771856889 VKJGINXTXBCTBW-UHFFFAOYSA-N 436.600 4.075 10 20 IICD CCN(CC)Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC 775380217 WAVYQPRHGZZHGL-LJQANCHMSA-N 429.580 4.364 10 20 IICD COCC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C)o1 778755019 JIYOKJAXFXBBID-IBGZPJMESA-N 437.487 4.235 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1O 779012963 OPEPMZZQNJJPCG-AWEZNQCLSA-N 437.353 4.414 10 20 IICD Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(O)c1O 780938570 IZGCIGIAWRSDQS-UHFFFAOYSA-N 435.455 4.388 10 20 IICD COCCCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782895587 GSAJUBPGFCCXOO-UHFFFAOYSA-N 440.540 4.108 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 784563378 HFGFQVDAYACGGR-UHFFFAOYSA-N 443.500 4.155 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C(F)(F)F)cs1 786972160 IMULKPPJNWZAPA-GFCCVEGCSA-N 430.521 4.276 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1 790597582 AZZPECGFLPSGPI-UHFFFAOYSA-N 445.361 4.073 10 20 IICD C[C@@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800505306 JYBBAVWMNPTIOL-DVECYGJZSA-N 437.971 4.430 10 20 IICD CCCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 800637241 VMWFVBWTWSZSIR-CQSZACIVSA-N 434.993 4.240 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)N(Cc3ccccc3)C3CCCCC3)CC2)cc1 804318174 BWUQLHNLPLEISW-UHFFFAOYSA-N 449.595 4.142 10 20 IICD CC[C@@H](NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1cc(Br)ccc1O 810255359 JWBSIBFRJYZOTD-UTKZUKDTSA-N 438.362 4.206 10 20 IICD CC(C)c1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 914446351 PTYWTCLZNBVGKV-FMIVXFBMSA-N 438.625 4.343 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 916438113 CZHGQHDTYHSIDE-HNAYVOBHSA-N 433.474 4.167 10 20 IICD Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1C 917365113 VCKOEGHLBSQNIV-KRWDZBQOSA-N 443.594 4.314 10 20 IICD CC(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917911704 JILHLPNHARPBDQ-UHFFFAOYSA-N 442.503 4.144 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 918098498 AFMPUGNTMZRGJQ-VWLOTQADSA-N 438.616 4.056 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(N2CCOCC2)cc1 920924718 DSDAVRBTIRISDA-IBGZPJMESA-N 445.519 4.131 10 20 IICD O=C1N[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Nc2ccc(Br)cc21 1317911786 QTUDBQYQOKBEGQ-GOSISDBHSA-N 431.290 4.202 10 20 IICD CCC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811263174 BUTZHLYAPDCNGS-RCZVLFRGSA-N 430.552 4.219 10 20 IICD Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 15571873 ADBNBQCLUSLUHF-UHFFFAOYSA-N 445.523 4.169 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 18474478 JPIJFDGDXPPVBP-UHFFFAOYSA-N 430.624 4.480 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 116534057 UAJTXBAVZQBTQX-UHFFFAOYSA-N 442.515 4.283 10 20 IICD COc1ccc([C@H](CNCc2cc(-c3ccccc3)ccc2O)N2CCOCC2)cc1OC 725841520 GDEWCEKAQNAHQI-DEOSSOPVSA-N 448.563 4.240 10 20 IICD Cc1ccc2c(CC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c[nH]c2c1 726145166 QNGGXZXHRUBNMK-UHFFFAOYSA-N 431.458 4.191 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2cccc(F)c2)no1 726567042 CDMYOEYKZFACTB-UHFFFAOYSA-N 431.414 4.481 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726694859 KHROYWTWIBYOFC-UHFFFAOYSA-N 430.936 4.488 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(Br)c1 727223667 APNGXOJGLLKVSQ-UHFFFAOYSA-N 436.375 4.333 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 728699388 SUSOXMAIKBCESX-SHRNQRGKSA-N 430.304 4.020 10 20 IICD COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1C 731298684 KLMHKJRYMZSVBM-UHFFFAOYSA-N 434.564 4.428 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 732474386 CQKBEOBETNZQKM-DNVCBOLYSA-N 435.565 4.235 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3cnc(C)s3)c2C)cc1 732866497 HUMPGVCQVCXPCW-MDZDMXLPSA-N 438.505 4.085 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 733342281 IVTWSOWNHCXQFH-HUUCEWRRSA-N 437.918 4.274 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](CN3CCCCC3)c3ccccc3)CC2)cc1 734275989 FGIUSLAPSOFZMU-VWLOTQADSA-N 436.600 4.190 10 20 IICD Cc1noc(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(N(C)C)cc2)CC3)n1 741958670 QCWXBSUBVYLKLW-NBVRZTHBSA-N 439.519 4.409 10 20 IICD COc1cccc([C@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742752127 YUKUYFRCCCXLHD-JTSKRJEESA-N 441.572 4.247 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] 742805585 MKXNQOMSWCYUOI-ZDUSSCGKSA-N 425.819 4.248 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc2c1OCO2 743282413 LXIIMGZZACARBO-YFEUJDIGSA-N 427.503 4.149 10 20 IICD CCOCCOCc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1C 746034830 IRPIQSSGSVOYKB-UHFFFAOYSA-N 443.613 4.423 10 20 IICD CC(C)(C)OC(=O)N1CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 749127150 VUAIIZVXEIRUOG-UHFFFAOYSA-N 443.510 4.031 10 20 IICD CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 749394489 UZPQESIKYNAYNL-UHFFFAOYSA-N 446.463 4.353 10 20 IICD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751308176 RTBIXJSRYZFPEX-KRWDZBQOSA-N 445.548 4.404 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)n2)cc1 751587931 KKEKMFCMWSWXLC-QGZVFWFLSA-N 432.571 4.111 10 20 IICD O=C(/C=C/SCc1ccco1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 754225719 UCSDMOKFXYUKBV-VZUCSPMQSA-N 426.460 4.198 10 20 IICD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 756055681 HBJZHPAALNHLSY-JOCHJYFZSA-N 449.624 4.272 10 20 IICD COc1ccc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1Cl 757857913 XTNDYFVITVXPKX-QGZVFWFLSA-N 441.837 4.091 10 20 IICD Cc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)cc1F 758276574 DRTLZGHFHYPMEK-UHFFFAOYSA-N 431.470 4.419 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 758693629 GNTLZCQZWFYVHT-AZUAARDMSA-N 430.593 4.122 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3c(F)cccc3F)no2)c1)c1cccs1 761559830 DGZYAKRDXCRUIA-UHFFFAOYSA-N 449.460 4.174 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(Cc4nc(-c5ccccc5)nn4C)no3)ccc21 762410984 LBYCCGGPWPJNOL-UHFFFAOYSA-N 442.523 4.341 10 20 IICD Cc1cc(CN(CC(C)C)C(=O)NCc2ccc(N(C)C)cc2)nc(N2CCCCC2)n1 763487829 RQIDWNJFRQWKHY-UHFFFAOYSA-N 438.620 4.209 10 20 IICD CC(C)(C)OC(=O)N[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 764543986 ZKUYLUXYDYQSPS-LJQANCHMSA-N 429.517 4.000 10 20 IICD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 772219675 AOEYZUQKVWAIQP-FQEVSTJZSA-N 433.618 4.036 10 20 IICD Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 773307850 GRAHHFWWMOYTJG-UHFFFAOYSA-N 432.524 4.141 10 20 IICD O=C(N[C@@H](c1ccccc1)c1ccccn1)C(=O)N(Cc1ccccc1O)C1CCCCC1 775075775 RBFHZDKXXREGCU-VWLOTQADSA-N 443.547 4.354 10 20 IICD COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC 775402290 CBOOUJRVBVQSRX-HNNXBMFYSA-N 437.496 4.106 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CCN(C(=O)N2CCCC2)CC1 777822909 OSRSUBYDIJUOFH-HXUWFJFHSA-N 435.568 4.410 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCc2cccc(O)c21 778951738 VKYYUHHQCALJGD-LGMDPLHJSA-N 444.603 4.415 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 780385073 MRZVBPAXJOZZPH-UHFFFAOYSA-N 443.519 4.227 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 780678431 UVARMYZVYOIBHM-LJQANCHMSA-N 443.544 4.487 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@H](COc2ccccc2)C1 780831458 LZDZSLAGNUQGML-SFHVURJKSA-N 445.510 4.367 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(-c2cccc(Cl)c2)on1 786045957 BQSXLRFZLDNURH-UHFFFAOYSA-N 444.894 4.417 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC(c3ncc4n3CCCC4)CC2)c1O 788383336 WLDXAMNVANANNT-UHFFFAOYSA-N 431.536 4.241 10 20 IICD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(C2CCCCC2)CCCCC1 792066014 GITDLXNEVDBIAE-UHFFFAOYSA-N 432.630 4.068 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c(C)n1-c1ccccc1 806833363 ILYWGWAWOXWUER-UHFFFAOYSA-N 447.583 4.121 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1 809197125 DKABGNVRYSKQDK-RBBKRZOGSA-N 425.548 4.083 10 20 IICD Cc1noc([C@@H]2CCCCN2Cc2cc(Br)cc(Br)c2O)n1 809718380 JETPCKCSCKTMII-ZDUSSCGKSA-N 431.128 4.336 10 20 IICD C[C@H]1CCCN(c2ccc(CN[C@H]3CCCc4ccc(S(N)(=O)=O)cc43)cc2Cl)C1 810240668 DQCWRGVAFHGFAG-AOMKIAJQSA-N 448.032 4.391 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)cc1 916502364 ANZVFITYLXXJLC-NRFANRHFSA-N 443.975 4.116 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Br)cc1F 916668143 LVQGKPRTBFQXSD-UHFFFAOYSA-N 440.288 4.010 10 20 IICD Cc1ccccc1CN1CCCN(C(=O)CSc2ncc(-c3ccccc3)n2C)CC1 917192543 SUHXATUXMTXOQO-UHFFFAOYSA-N 434.609 4.222 10 20 IICD CCOC(=O)c1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl 918053011 BUFBEAZPRYTGKW-UHFFFAOYSA-N 445.947 4.047 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCCCCC4)cc3)cc2)C1 918117895 SCAPGYZZTICUTN-NRFANRHFSA-N 449.599 4.090 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1 918439187 UODZTJRMWSONOV-UHFFFAOYSA-N 431.561 4.162 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 919895861 WUBDNANJPYUEDE-VWLOTQADSA-N 435.568 4.029 10 20 IICD C[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(N2CCOCC2)cc1 920881105 CGSJAIWAWULFBL-LHSJRXKWSA-N 448.350 4.200 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920924444 ARQUXKQPZVTRIH-LJQANCHMSA-N 429.520 4.006 10 20 IICD COc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cnn1-c1ccccc1 1338176774 GNESIXQNUWILQD-UHFFFAOYSA-N 430.508 4.383 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2CC2)CC3)cc1 1823438081 IURZRKXUOJDDFY-SFHVURJKSA-N 434.565 4.186 10 20 IICD CSCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1841643030 JQBACHBOLIGSRD-UHFFFAOYSA-N 439.625 4.300 10 20 IICD Cc1cc(C(=O)NCCc2cn3ccccc3n2)c(C)n1-c1ccc(Br)cc1 25529778 FKCUMJIYBMVDCS-UHFFFAOYSA-N 437.341 4.477 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@@H]3CC(=O)c3ccccc3)ccc21 467873889 ZEGBDDYMFVNKHW-QFIPXVFZSA-N 434.536 4.019 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@@H](c2ccccc2)C1 726722382 QUQKBTNWTWZJSU-OAQYLSRUSA-N 431.483 4.040 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cn(C)nc3C3CCCCC3)cc2F)C[C@@H](C)O1 726755180 ZNZRTRDYLXJHKW-IAGOWNOFSA-N 428.552 4.151 10 20 IICD Cc1sc(NS(=O)(=O)c2cncc(F)c2)nc1-c1ccc(Br)cc1 727245421 DGVVLAKCKKERPG-UHFFFAOYSA-N 428.308 4.216 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 729064069 OGBJGHRJRKJSIL-CQSZACIVSA-N 447.516 4.493 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1ccccc1Br 729361730 ZXUAQQQQUYORPI-INIZCTEOSA-N 433.346 4.082 10 20 IICD COC(=O)CN(Cc1ccc(OCc2cccnc2)cc1)Cc1cc(Cl)ccc1O 732203259 SMXDNZMLZOOPHG-UHFFFAOYSA-N 426.900 4.195 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 734072197 SUMXBMCRZBXEEU-RHSMWYFYSA-N 437.462 4.054 10 20 IICD C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754186 NMAPWQVQWCFXAL-KKSFZXQISA-N 445.535 4.041 10 20 IICD CCOc1c(OC)cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC 745787457 WKKUXHFUWLGGFH-UHFFFAOYSA-N 429.561 4.289 10 20 IICD O=S1(=O)CC[C@H](N(Cc2ccccc2F)Cc2c(O)ccc3oc4c(c23)CCCC4)C1 753169312 KGCLVWDASJOYNL-KRWDZBQOSA-N 443.540 4.346 10 20 IICD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753635631 GHQKOIDRSICACX-CYBMUJFWSA-N 428.485 4.220 10 20 IICD CCc1noc(CC)c1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 755435187 HQOPFXILRBVZAR-GZTJUZNOSA-N 449.623 4.159 10 20 IICD Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 757395548 XGLINEJMRQEBRW-HXUWFJFHSA-N 436.600 4.085 10 20 IICD COc1cc(Br)cc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1O 758578173 BHKJUPGVEHUDKG-FPOVZHCZSA-N 438.337 4.166 10 20 IICD COc1cc(N2CCN(C(=O)/C=C(/C)c3cccc(Cl)c3)CC2)cc(OC)c1OC 759222415 YFRSAHCHETVHRP-VBKFSLOCSA-N 430.932 4.118 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C 764255472 UMKRSEVTCYIUNV-UHFFFAOYSA-N 437.588 4.055 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)c(F)c(F)c1 765278642 AFBHWNWUBQLNKG-OAHLLOKOSA-N 445.464 4.210 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 765282303 MBGDSKZLXGAEEM-IBGZPJMESA-N 428.598 4.090 10 20 IICD CCn1nc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c2ccccc21 769917441 BVGOOPPRZCUVEO-NRFANRHFSA-N 437.588 4.478 10 20 IICD CCN(CCC1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1)CC1CC1 771434993 WAUYMYRFJDESRW-UHFFFAOYSA-N 442.648 4.208 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccc(N(C)C)cc1 773858868 RHSKVRCXJGGOLD-LJQANCHMSA-N 431.536 4.285 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)n2)cc1 776081904 CVVWHHCDGRJUNR-UHFFFAOYSA-N 449.945 4.014 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(-c2ccccc2)c1)c1ccc(N)cc1 783486204 MSCSMHDDEHZNHK-GOSISDBHSA-N 425.492 4.187 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Cl 784058911 BMWHDWYEANCGSY-UHFFFAOYSA-N 428.920 4.185 10 20 IICD CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](CC)CN1C(C)=O 785025377 DUUITQQFNXIXNS-VXKWHMMOSA-N 435.528 4.288 10 20 IICD CCOC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)CC1 802755637 VAGYZKDNKIJBCG-NRFANRHFSA-N 449.599 4.394 10 20 IICD COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cccc(Cl)c1 808237696 BYPRJEZEISDXSX-MRUHUIDDSA-N 449.954 4.280 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCO1 812433258 JEFBZVZOYHKAIJ-IBGZPJMESA-N 444.482 4.458 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)n2)cc1 831885256 ZFPWMHUCYSUHLZ-AWEZNQCLSA-N 441.578 4.471 10 20 IICD COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 857472667 NRNSRAAYIVDWIC-CQSZACIVSA-N 427.303 4.241 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2C)cc1 914756946 BHADWVMFZXMARX-QGZVFWFLSA-N 440.565 4.339 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 915290367 UKATZKQFNQSORT-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)s1 918740468 SXEBAQGAOFYSHH-SECBINFHSA-N 443.522 4.148 10 20 IICD CC[C@@H](NCc1cccc(CN2CCN(C)CC2)c1)c1cc(Br)ccc1O 1116674303 XXDRFEWRJZFXNP-OAQYLSRUSA-N 432.406 4.143 10 20 IICD C[C@H](NC(=O)N1CC(Cc2c(F)cccc2Cl)C1)c1ccc(N2CCOCC2)cc1 1340110540 RQDUWLZFXFXCIW-INIZCTEOSA-N 431.939 4.261 10 20 IICD C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 33752034 JZGLETIYUCELFL-CPNJWEJPSA-N 441.530 4.310 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](CCSC)c3nnc4ccccn34)c2C)cc1 105295710 BWFQVQOZNCEDEB-OAQYLSRUSA-N 449.580 4.370 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 108836616 RZYGPKBBJMWWDG-UHFFFAOYSA-N 441.597 4.494 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)ccc21 427152676 LVPTUWLJJYMMQV-JOCHJYFZSA-N 428.573 4.095 10 20 IICD O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1ccc(-c2noc(C(F)F)n2)cc1 569411031 RYFXGOFOSMIUOW-UHFFFAOYSA-N 437.431 4.200 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc(Cl)c1OC 726628082 SXKHLKIXJYCSBY-YBEGLDIGSA-N 448.953 4.252 10 20 IICD CN(C)CCOc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726694602 FBWFDNFXUWEHOW-UHFFFAOYSA-N 448.514 4.019 10 20 IICD C[C@H]1C[C@@H](C)CN(Cc2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)cc2)C1 727466703 DAHNFECLPZGKHA-OYRHEFFESA-N 425.592 4.430 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1 728140864 YWWUSRADJJMDJM-UHFFFAOYSA-N 425.426 4.288 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1 730284731 BGYQYBKJFIVFAI-HNNXBMFYSA-N 431.558 4.404 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)CC1 731131713 PSEYWXMTOQCGDA-UHFFFAOYSA-N 434.584 4.168 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccccc1OC(F)F 732910708 GKRUTJVQJHOMNQ-UHFFFAOYSA-N 448.476 4.398 10 20 IICD CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2cc(OC)ccc2O)cc1 734066383 LZTJYPTURTVFCG-UHFFFAOYSA-N 437.496 4.376 10 20 IICD CN(C)c1ccc(CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C2CC2)cc1 735998240 OUXDXIZFIPDIHV-UHFFFAOYSA-N 449.595 4.306 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2cccc(Cl)c2)CC1 740064049 JUFMUAMWYSEJAS-UHFFFAOYSA-N 427.976 4.080 10 20 IICD CCCCCCn1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc2c1=O 742952861 SYTGLFOAIXELLP-UHFFFAOYSA-N 434.540 4.082 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1C 743046608 GMPKEORRECVNFY-UHFFFAOYSA-N 447.405 4.268 10 20 IICD O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743090378 PZGBGWYTEXLDPW-SFHVURJKSA-N 444.482 4.427 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Oc1ccc(F)cc1 743678548 LSQGLKASDLLMDI-OAHLLOKOSA-N 437.462 4.163 10 20 IICD COc1cc(CCC(=O)NCc2c(O)ccc3c2CCCC3)ccc1OCC(F)(F)F 743717731 DZGHDDINSFJXTQ-UHFFFAOYSA-N 437.458 4.470 10 20 IICD CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2cccc(OC)c2O)cc1 745595533 VIIMEBLSZWHCGY-UHFFFAOYSA-N 437.496 4.376 10 20 IICD Cc1nonc1CNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 745641696 DMUXGWKJSNACNQ-QGZVFWFLSA-N 433.434 4.373 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 745903527 JYSCSKCWSSAWPX-WIYYLYMNSA-N 449.473 4.179 10 20 IICD CC(C)OCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc2ccccc12 749406811 QIQGFFVBOUYIAY-UHFFFAOYSA-N 440.515 4.388 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCN(Cc3ccccc3)CC2)cc1 751403134 CLZUTTIPULZZNU-AREMUKBSSA-N 435.612 4.172 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cc4c(cc3Br)OCO4)cs2)cc1 751919163 LJAAIUORFHMPIX-UHFFFAOYSA-N 447.310 4.164 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)ccc1Cl 757502100 ZICPBYBXESXIDN-UHFFFAOYSA-N 443.959 4.124 10 20 IICD Cc1cc(NC(=O)/C=C\c2cncc(F)c2)ccc1N(C)C(=O)/C=C/c1cncc(F)c1 757708862 RILGGYSIXHIRQV-KYPMKJFLSA-N 434.446 4.391 10 20 IICD CCc1nc2ccccc2c(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1C 759237252 HUZROCIZZFNXDT-UHFFFAOYSA-N 449.551 4.094 10 20 IICD CCC(=O)c1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 760667827 ATHWTRVSFIWYJO-OAQYLSRUSA-N 439.556 4.341 10 20 IICD COc1cc(N2CCN(Cc3ccc(CSC(F)F)o3)CC2)cc(OC)c1OC 761220066 UAJUDDCTRYXLFM-UHFFFAOYSA-N 428.501 4.083 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1I 764085080 GMLPPGWQAFKABR-UHFFFAOYSA-N 430.673 4.098 10 20 IICD COc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(I)c1 765414961 RHDAJNVSKYXGFR-GFCCVEGCSA-N 439.297 4.249 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 769289125 DRGWOMHKEBOJPS-LJQANCHMSA-N 433.346 4.161 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 769862753 ABXVOYWRVXPIRZ-OAHLLOKOSA-N 426.494 4.156 10 20 IICD COc1cc2c(cc1OC)CN(Cc1ccccc1NCc1cc3c(cc1O)OCO3)CC2 770541909 IIMFTIBZLKSFGD-UHFFFAOYSA-N 448.519 4.309 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1 772117842 NKXVZAHIILBTTG-NRFANRHFSA-N 437.569 4.304 10 20 IICD Cc1cc(Br)cc(CNc2ccc(CC(=O)N3CCSCC3)cc2)c1O 775756371 AVUSJGOLMYIRBJ-UHFFFAOYSA-N 435.387 4.193 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1ccc(Br)s1 777829544 ZOFABNIAKSCJRF-SNVBAGLBSA-N 446.750 4.175 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccc(F)cc2)cc1 779019140 KKLWWULDKQPVTK-GJZUVCINSA-N 447.554 4.415 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cn2c(n1)CCCC2 779805217 KYDNGGSECFLQNH-UHFFFAOYSA-N 428.461 4.163 10 20 IICD C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n1 784062532 PJNGLMGSJILZGZ-SFHVURJKSA-N 431.540 4.379 10 20 IICD O=C(NCc1ccc(-c2ccccc2)o1)C(=O)N(Cc1ccco1)Cc1ccccc1O 788483684 UDOPZZPSNBMEDZ-UHFFFAOYSA-N 430.460 4.090 10 20 IICD COc1ccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(O)c1 792893253 OWAXASBIUGFMMH-OAHLLOKOSA-N 437.471 4.353 10 20 IICD Cc1oc2c(CN3C[C@H](C)O[C@@]4(CCCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 794890373 OHYSYMCXBNLNLT-QLXKLKPCSA-N 435.520 4.244 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(C(=O)Nc2ccccc2)c1 795329226 LXKBXMRLEWESPJ-UHFFFAOYSA-N 431.561 4.422 10 20 IICD CCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 800719205 HXJGBXVKTCXRED-SFHVURJKSA-N 449.039 4.414 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 802609902 MEBSWULMDMACDS-UHFFFAOYSA-N 446.551 4.359 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1occc1CS(=O)(=O)c1ccccc1 807839631 QNWRHMJKPXPDKK-UHFFFAOYSA-N 440.304 4.196 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)ccc2Cl)NC(=O)OC(C)(C)C)cc1 810447082 IFQJNLRHETYAIJ-LJQANCHMSA-N 433.936 4.107 10 20 IICD COc1ccc(NC(=O)CCN(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 844263289 OQFINIKETQGEHC-UHFFFAOYSA-N 426.517 4.054 10 20 IICD COc1cc(Cl)c(F)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 857472666 NRNSRAAYIVDWIC-AWEZNQCLSA-N 427.303 4.241 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(Cc1cccc(F)c1)C1CC1)c2[N+](=O)[O-] 914486852 CMIDZVBVLNPMQO-UHFFFAOYSA-N 444.418 4.314 10 20 IICD CN(C)Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914844944 BKISNLZVOFGITL-AQTBWJFISA-N 445.635 4.430 10 20 IICD O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 915303924 LZQIBDXXZOJYQK-UHFFFAOYSA-N 437.525 4.343 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2F)C[C@@H](C)O1 916682656 XVZIKPIRFLIVGX-GASCZTMLSA-N 429.492 4.268 10 20 IICD CC(C)Oc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918129397 ZWWKKMMBRUAVEK-ROUUACIJSA-N 429.536 4.226 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)cc2)C1 918373405 YHBKVTVWUPSABT-HXUWFJFHSA-N 444.579 4.069 10 20 IICD COc1cccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1OC 919656161 ZYTLXJROTKKIFE-UHFFFAOYSA-N 437.540 4.317 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCNC(=O)c2ccc(F)cc2)cc1 919812108 GXOIITSBYJXIRF-UHFFFAOYSA-N 437.515 4.224 10 20 IICD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)n1-c1cccc(Cl)c1 919980021 HYAVXLHHUKYNTA-UHFFFAOYSA-N 439.903 4.013 10 20 IICD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920881831 QNTMFQFVMOSOCH-QGZVFWFLSA-N 438.959 4.221 10 20 IICD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(N2CCCC2)cc1 1322444864 HZDXOPUMWNJDDZ-UHFFFAOYSA-N 429.586 4.082 10 20 IICD CC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(O)c(O)c4O)cc3)CCC2)CCC1 1792299726 ODPVZDSZBGUENZ-VZUCSPMQSA-N 436.508 4.141 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821292525 VMUUSGQPJAINDH-IFIJOSMWSA-N 446.935 4.216 10 20 IICD COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 22219328 ICHYWJOYRNJEJB-UHFFFAOYSA-N 449.374 4.070 10 20 IICD O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2c(O)ccc3ccncc23)CC1 28891519 YAGWFMREYYFWQH-UHFFFAOYSA-N 432.402 4.190 10 20 IICD CCOC(=O)c1sc2ncnc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 301081078 CRUURRACTGBRCD-HNNXBMFYSA-N 426.542 4.186 10 20 IICD CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1 726244521 DMRWQAMNMJUAQO-PGRDOPGGSA-N 433.556 4.425 10 20 IICD CC(C)Oc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 726455320 APQCMTQPKHTHMQ-UHFFFAOYSA-N 433.477 4.081 10 20 IICD COc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1OCc1ccncc1 726463531 TWWWEVDWWJOCCU-UHFFFAOYSA-N 436.581 4.482 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1 727247429 VMSJHXIQMHOQER-UHFFFAOYSA-N 426.566 4.181 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(=O)N(C)C)cc3)c2C)cc1 728351077 XJDDPGNYBDZABX-UHFFFAOYSA-N 448.519 4.234 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 729036053 RFHWILKMHLYWFC-CQSZACIVSA-N 444.484 4.255 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCC[C@H]2Cc2ccc(F)cc2)c1 729472569 QFBHOVQWASONRW-VWLOTQADSA-N 440.559 4.163 10 20 IICD O=C(COC(=O)c1cccc(C(F)F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 729746332 CWECXMVXMAZRKI-UHFFFAOYSA-N 435.382 4.195 10 20 IICD CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731049374 WOXBAHZQIBERPU-UNMCSNQZSA-N 428.621 4.149 10 20 IICD COc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F 731844429 HIBLCYPDYWEAQX-INIZCTEOSA-N 438.427 4.092 10 20 IICD O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 733334974 WESYAJQNDTUTGC-INIZCTEOSA-N 441.862 4.309 10 20 IICD COC1CCC(N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 734357631 XRNPHJUPXSDZOH-GHRIWEEISA-N 438.640 4.146 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2ccc(Br)cc2F)c1 734866631 DMHLMASQSMFVPG-GFCCVEGCSA-N 425.298 4.295 10 20 IICD CC(=O)NC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 742614268 FUIUZHNIJJPDNQ-SFHVURJKSA-N 435.490 4.144 10 20 IICD C[C@@H](NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 743229163 VPAVKYVVMXXTEA-GOSISDBHSA-N 439.556 4.290 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1SCC(F)(F)F 743956859 XTFMCLXDBDNESM-UHFFFAOYSA-N 438.471 4.180 10 20 IICD CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743975814 VSDYFJRGYNOWAG-GOSISDBHSA-N 431.483 4.135 10 20 IICD C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745647615 MMUPHDLJLCXOME-MWTRTKDXSA-N 429.511 4.219 10 20 IICD Cc1cccc(CN(CC(C)C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 746951401 KMLPFYSKMMUQNZ-HSZRJFAPSA-N 436.600 4.065 10 20 IICD Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3O)c2)c1 748347194 ZCFHFZGUFKISOE-UHFFFAOYSA-N 430.913 4.085 10 20 IICD COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754534595 ALQTXNGSZCZMNS-CQSZACIVSA-N 445.496 4.368 10 20 IICD C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)c(F)cc1O 756482737 KMAJAVJWXKCMAA-SNVBAGLBSA-N 436.730 4.072 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)c2C)cc1 756750577 GGSSLUXXNDNGGI-UHFFFAOYSA-N 446.482 4.470 10 20 IICD COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 758164110 UNAWSRMUCBPYAG-UHFFFAOYSA-N 445.093 4.410 10 20 IICD CCOc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 759495527 BFBJVZJUOCEJKM-UHFFFAOYSA-N 428.872 4.205 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc(-c2cccnc2)s1 761411374 HQTYXDRYRRETER-UHFFFAOYSA-N 430.480 4.205 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(=O)c2ccccc2)c1 761412020 YCOPQEKKLYYKBA-FQEVSTJZSA-N 428.532 4.174 10 20 IICD O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)SC(=S)N1Cc1ccon1 764413263 XZLAFXVEWWDEDN-VGOFMYFVSA-N 430.492 4.108 10 20 IICD O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1nc(-c2ccco2)no1 771191882 TUMHKOPQKJHSLX-MDWZMJQESA-N 448.323 4.494 10 20 IICD CC[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc(F)ccc1F 775454633 MOBZSWLLYOKPCR-MCFFVMPBSA-N 449.517 4.075 10 20 IICD CC[C@H](CN(CC)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 776122379 FNSPWXSCCMVPFA-FYYLOGMGSA-N 436.600 4.114 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 779332984 RIUIXIJYYAURGL-OYHNWAKOSA-N 449.954 4.016 10 20 IICD C[S@](=O)C[C@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 780895423 SJEMTVXAONMETA-NYHFZMIOSA-N 447.192 4.127 10 20 IICD CC(C)(C)OC(=O)NCc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)co1 780900634 FJYRDCPDMXWYDD-UHFFFAOYSA-N 426.469 4.446 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3ccn(C)c3c2)cc1 782423755 JWGRGKXMBWZHQX-UHFFFAOYSA-N 430.508 4.005 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 787454848 KYWFIQTVEMHAIM-UHFFFAOYSA-N 432.524 4.236 10 20 IICD CCn1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C(F)(F)F 799260881 CXUPKMGNRJIMAJ-AWEZNQCLSA-N 445.445 4.237 10 20 IICD COCCN(Cc1cccnc1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800719326 JKKYMBOMRPBLMG-SFHVURJKSA-N 430.980 4.330 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](c4ccnn4C)C3)cc2Cl)C1 801062215 UZDASRUEMXIQED-HKUYNNGSSA-N 429.996 4.399 10 20 IICD Cc1nn(-c2ccccn2)c(C)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 801719815 HNNBLAQAMRHADT-UHFFFAOYSA-N 427.499 4.244 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)cc2Cl)C1 807075088 PSRPLTJRUVPCQX-INIZCTEOSA-N 443.975 4.059 10 20 IICD C[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc2c(cc1O)CCCC2 810254451 HGMFFZZZJJLBIS-QGZVFWFLSA-N 433.552 4.491 10 20 IICD COCCCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C1CCN(C)CC1 811943843 NXXHESMWBRGJCN-UHFFFAOYSA-N 432.008 4.249 10 20 IICD CN(CCN[C@@H](CCc1ccccc1)c1ccccc1O)S(=O)(=O)c1cccs1 815596946 IXFSZYIIGZSHJR-FQEVSTJZSA-N 430.595 4.038 10 20 IICD COCc1ccccc1/C=C(\C)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 816569509 OCEROYWMEVNEHL-XMHGGMMESA-N 426.557 4.084 10 20 IICD COc1ccc(OC)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914069804 CHVZYDOJYXRDEW-ATVHPVEESA-N 448.591 4.385 10 20 IICD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 914505445 GFTQHCTVILXJMK-UHFFFAOYSA-N 445.629 4.189 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)ccc21 915221613 AXOCXAADSYNFPL-UHFFFAOYSA-N 433.942 4.173 10 20 IICD Cc1cc(CCNC(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccccc1 915260032 XGDDJJKANHCAGJ-UHFFFAOYSA-N 444.579 4.258 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)sc2C)cc1 915290380 WRIBMVRJIXNJQK-UHFFFAOYSA-N 449.510 4.235 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)cc1 916435598 HSZNMDJDOMXHJN-RUZDIDTESA-N 438.616 4.056 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 917712401 YBCGBYGRJOQBJO-XHSDSOJGSA-N 447.532 4.145 10 20 IICD CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 917931172 KKJQIMBMMVGRDE-UHFFFAOYSA-N 448.361 4.207 10 20 IICD Cc1cc(C(=O)N2CCN(c3nccs3)CC2)c(C)n1-c1ccccc1Br 917997094 YTWDYTXCOVJTON-UHFFFAOYSA-N 445.386 4.276 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 918633877 PYXPSGIANNWQSQ-IYBDPMFKSA-N 432.923 4.372 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2cnn(-c3ccccc3)c2)cc1 919654695 KUMXSYNANCPVJS-UHFFFAOYSA-N 443.551 4.486 10 20 IICD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971251 NQAWZKDUHAEUFL-CYBMUJFWSA-N 441.330 4.177 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 920027617 QLJHNWIWBQVXDU-QFBILLFUSA-N 447.501 4.217 10 20 IICD CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 920813564 SMPXYEIDRHDWFI-UHFFFAOYSA-N 425.573 4.072 10 20 IICD Cc1ccc(OCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 921303836 DIPAYZVAPLZGAK-UHFFFAOYSA-N 447.373 4.022 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccn(C4CCCCC4)n3)cc2F)C[C@@H](C)O1 1324729443 QMSTZZFAMYOSSZ-IAGOWNOFSA-N 429.540 4.463 10 20 IICD Cc1cc(C(=O)NCCc2nccn2C(F)F)c(C)n1-c1cccc(Br)c1 1520273681 CTZPJUDEUVLXHW-UHFFFAOYSA-N 437.288 4.421 10 20 IICD Cc1cn(C)c(CC(=O)N2CCCc3ccccc32)c1C(=O)N1CCCc2ccccc21 490455243 WKPFIDHQVBYOLU-UHFFFAOYSA-N 427.548 4.448 10 20 IICD COc1ccc(N(C)C(=O)Cc2occc2C(=O)N(C)c2ccc(OC)c(F)c2)cc1F 498647212 ULNSDBPRLDFISE-UHFFFAOYSA-N 444.434 4.057 10 20 IICD CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 726526507 RNZZLLZALKYWRX-UHFFFAOYSA-N 449.576 4.042 10 20 IICD O=C(NCCOc1cccc(Cl)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726613300 JYXNTJFBRGRVCK-UHFFFAOYSA-N 439.890 4.288 10 20 IICD COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1 727225076 UKPCSNHLZMKAJY-INIZCTEOSA-N 435.318 4.376 10 20 IICD CC(C)(C)SCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 727401818 VAWWOCDQOMUCDL-WYMLVPIESA-N 428.670 4.377 10 20 IICD CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 727483507 JXEJJLHOLRLDAU-HSZRJFAPSA-N 430.589 4.361 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)(C)c1ccccc1 728002752 HLLIHKUMNOJSBS-HNNXBMFYSA-N 442.471 4.466 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1 729053659 QXZZFTKOHGEZKY-WAIKUNEKSA-N 430.508 4.437 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(OCC(F)(F)C(F)F)nc1 729345944 DWKRYNKXWUWJTG-UHFFFAOYSA-N 425.426 4.281 10 20 IICD C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 731281034 NUCBTQJVYRHOMJ-GOSISDBHSA-N 425.548 4.297 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1F 731346045 OXFQJIIESZVSNP-UHFFFAOYSA-N 441.406 4.120 10 20 IICD CC[C@H](C)CN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 731998433 UTZBRZKISGLCMZ-DGGAMASNSA-N 441.416 4.155 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N(C)Cc1ccccc1 732248269 CASULQBEHKUHLL-SFHVURJKSA-N 446.542 4.077 10 20 IICD Cc1cccnc1[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C 734525489 IDMBOOZFKBGPOY-SVMVAKDDSA-N 428.552 4.339 10 20 IICD Oc1ccc2cc(Br)ccc2c1CN1CCC(CCN2CCOCC2)CC1 738110003 ADRGRYUOJYCLNN-UHFFFAOYSA-N 433.390 4.242 10 20 IICD C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 741082083 WYVFWFPSQJDRPI-RDPSFJRHSA-N 448.611 4.461 10 20 IICD COc1ccc(/C=C/C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 742798977 FBRVDBKGUNTIQY-USAXFFIDSA-N 432.467 4.104 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NCC1(c2cccc(Cl)c2)CCOCC1 743562691 XNVPESMNYORVHS-UHFFFAOYSA-N 428.960 4.472 10 20 IICD CC[C@H]1CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CC[C@@H]1c1ccccc1 746382449 NIXOWTLHHZVWSE-LVXARBLLSA-N 436.596 4.443 10 20 IICD Cc1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2[nH]c(C)c(C)c2c1 749010742 RNNPMEREWATRBH-UHFFFAOYSA-N 438.547 4.193 10 20 IICD O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 751137789 XCQHYVUNKFESDH-MRXNPFEDSA-N 430.353 4.210 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)CC2)cc1 751349415 HYCIGJSYXDFGDL-UHFFFAOYSA-N 434.540 4.218 10 20 IICD C[C@@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 752157559 XLGPVYQUURXHKM-YLJYHZDGSA-N 429.948 4.101 10 20 IICD C[C@@H]1CC[C@@H](C)N1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 757796083 PYDRXGMWBHGEEO-ZOPJJOQRSA-N 439.400 4.050 10 20 IICD COc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 758161338 BZIDQRXZINAQFY-UHFFFAOYSA-N 427.103 4.271 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnc2ccc(F)cc2c1 758489586 BADAMPUIGWCLPQ-UHFFFAOYSA-N 433.405 4.159 10 20 IICD Cc1cc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)ccc1F 759286297 ASSMKEUPDKKQMV-XMMPIXPASA-N 425.548 4.293 10 20 IICD CC[C@@H](C)Oc1cccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 759957726 QCNDJTKTHWUJEJ-QGZVFWFLSA-N 443.544 4.244 10 20 IICD C[C@H]1CN(c2ccc(CNCC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@H](C)O1 760658075 RVVZAOCRGTZMNH-ROUUACIJSA-N 435.584 4.176 10 20 IICD Cc1nc([C@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)C2)n[nH]1 761075498 YJHBAHJOLYALNB-INIZCTEOSA-N 442.361 4.303 10 20 IICD O=C(NCc1ccc(Br)c(F)c1)NCc1cccc(Br)c1O 764767981 DZHOBAGTGAWAGP-UHFFFAOYSA-N 432.087 4.056 10 20 IICD C[C@H](NCc1ccccc1CN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl 764866786 VYUIKBMJHKKOAP-SFHVURJKSA-N 427.976 4.150 10 20 IICD Cc1ccc(-n2nnc([C@@H](C)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2C)cc1 765118581 MKLHBQSTZJKYQI-CEXWTWQISA-N 437.563 4.488 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 773588496 MKUSULDGQCNNFF-IERDGZPVSA-N 444.373 4.401 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC(=O)c2ccccc2)cc1 775235891 WKDSGVKVXXOWFZ-UHFFFAOYSA-N 430.464 4.281 10 20 IICD CC[C@@H](CN(CC)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 776122391 FNSPWXSCCMVPFA-JTHBVZDNSA-N 436.600 4.114 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 776214495 WJFVLSLDTFEELW-VGSWGCGISA-N 431.964 4.094 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C3CC3)ccc21 776546579 BTWHRKSMSRELOP-JOCHJYFZSA-N 443.588 4.280 10 20 IICD CN(c1ccc(CNC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1)C1CCCCC1 777475335 OFUFXDVPZMPTJV-AREMUKBSSA-N 432.568 4.261 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782638962 VDRUYRSAFMVJEE-UHFFFAOYSA-N 441.940 4.303 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COCc2ccco2)c1 783328161 RPWQUVFXJPEKKG-UHFFFAOYSA-N 449.551 4.438 10 20 IICD COc1c(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)oc2ccccc12 788744731 ZYWVAPVJNSMHMZ-HZPDHXFCSA-N 441.503 4.194 10 20 IICD Cc1ccc(C2(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCC2)cc1C 788882977 GGCOXTZLVQNIEI-UHFFFAOYSA-N 439.575 4.325 10 20 IICD COC(=O)c1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)c(Br)c1 790586983 MJVJQZSBTMJMTM-UKTHLTGXSA-N 446.413 4.190 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCOCC(F)(F)C(F)(F)F 790772039 JVTRJSGHALTIAA-UHFFFAOYSA-N 434.199 4.108 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 792281072 UAXQSYACRIEQCX-UHFFFAOYSA-N 434.540 4.387 10 20 IICD Cc1nc2sccn2c(=O)c1CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 795947434 CNRSHAVVSLNTJI-UHFFFAOYSA-N 439.562 4.146 10 20 IICD CCOC(=O)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 800472019 DTJLDLKYLCNUNF-JOCHJYFZSA-N 426.513 4.109 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N(CCC(N)=O)Cc3ccccc3)cc2Cl)C1 800699462 UQFVOQAFFWMMIW-GOSISDBHSA-N 442.991 4.164 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc(Cl)c(F)c3N3CCOCC3)ccc21 801921233 WSOWSDKSNPGMNU-UHFFFAOYSA-N 432.927 4.020 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 802610263 XSUPCIKZRCNQEX-UHFFFAOYSA-N 449.507 4.356 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc(-c4cc5cccc(C)c5s4)n3)CC2)cc1 809464158 ASRRLJRKUPPLOD-UHFFFAOYSA-N 448.548 4.160 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cc(C)n(CCOC)c3C)SC2=S)cc1 814274601 UBFRHSOENKYLKA-UYRXBGFRSA-N 444.578 4.334 10 20 IICD Cc1c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c(=O)n(-c2ccccc2)n1C 916667425 XKABYPYVDAHUHD-UHFFFAOYSA-N 432.480 4.017 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSCCCc3ccccc3)cc2F)C[C@@H](C)O1 917713274 KHONZOOZZSOJIA-KDURUIRLSA-N 430.589 4.422 10 20 IICD COc1ccc(C(=O)CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918633780 OIMKVVJXUNTRBI-HDICACEKSA-N 442.531 4.117 10 20 IICD COCc1cccc(CNC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 918952968 OBUJUDKCEOVDRK-UHFFFAOYSA-N 433.464 4.427 10 20 IICD CCOC(=O)c1nn(C)cc1/C=C1/CCn2c1nc1sc(C)c(-c3ccccc3)c1c2=O 426912721 XXAKZCIKYHVIKS-VBKFSLOCSA-N 446.532 4.288 10 20 IICD O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)ccc1N1CCCCC1 725850275 WNOBHRBEBHHXDA-HXUWFJFHSA-N 439.434 4.307 10 20 IICD Cc1cc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 728894691 NIPGOBFWQMDVFO-UHFFFAOYSA-N 426.561 4.208 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 729346446 VYGSHJPDYXUUCE-NRFANRHFSA-N 444.000 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)CC1 731016115 NIIQDFVRPXDYLO-XMMPIXPASA-N 433.596 4.020 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 731284154 YKBOCFNPIOQINE-SFHVURJKSA-N 432.362 4.355 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccncc2)cc1 733847614 CYRCJMJYIYLRQT-SFHVURJKSA-N 431.540 4.303 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 740842695 DEGNPFUORQLQEG-UHFFFAOYSA-N 430.957 4.423 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 742476068 UTBUXCAXXLLPMY-SDNWHVSQSA-N 431.580 4.245 10 20 IICD Cc1oc2c(CN3CCNC(=O)[C@H]3c3cccs3)c(O)ccc2c(=O)c1-c1ccccc1 743384588 RUEROSZWYIOUEI-JOCHJYFZSA-N 446.528 4.209 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 746798613 YSWSASMQXFNEHB-UHFFFAOYSA-N 431.411 4.227 10 20 IICD Cn1cc(C[C@H]2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)cn1 746815400 JEBDCJWTODRBKG-JPYJTQIMSA-N 442.523 4.032 10 20 IICD CNC(=O)c1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)cn1 747299058 WBGJAQBDOPOWHI-UHFFFAOYSA-N 437.521 4.296 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCN(Cc2cccs2)C1 747470830 CQZCYORFTCOOLJ-HXUWFJFHSA-N 444.670 4.013 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)c2C)cc1 749275069 RHGJIORYWPJWNU-VWLOTQADSA-N 445.563 4.066 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1-c1nncn1CC 750597772 FWGODTXSTUNWDL-UHFFFAOYSA-N 444.333 4.487 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(OCC(F)(F)C(F)F)nc1 751302174 KFISVMZCBAQUPO-UHFFFAOYSA-N 445.376 4.323 10 20 IICD C[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(N2CCOCC2)cc1 752919598 ZDXOYECRGHJNEJ-IRXDYDNUSA-N 427.549 4.075 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3cc(Cl)cc(Cl)c3C2)c1 753099927 KVHRJGRXJOGNSJ-UHFFFAOYSA-N 449.378 4.292 10 20 IICD Oc1nc(/C(Cl)=C\c2cnc(-c3ccncc3)s2)nc2c1=CC(c1ccccc1)=S=2 753142655 RXSPJXHLJXZGBQ-LICLKQGHSA-N 448.960 4.436 10 20 IICD CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 757621693 AIEFPOAOWAXXKV-SJLPKXTDSA-N 445.551 4.358 10 20 IICD COc1ccc([C@@H](CNC(=O)NCCCSc2nccs2)N2CCCCC2)cc1 759537263 CKXNFQMJJURBSY-LJQANCHMSA-N 434.631 4.160 10 20 IICD COc1cccc(CNC(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c1O 762234281 VMKYLSWMNPABCO-UHFFFAOYSA-N 445.317 4.288 10 20 IICD O=C(Nc1ccsc1C(=O)NCc1ccccc1O)c1ccc(Br)cc1 764251277 UNPHZWRUJRNVDZ-UHFFFAOYSA-N 431.311 4.399 10 20 IICD Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2O)n(-c2ccccc2)n1 764799902 MZMONWBPYWGKBV-CQSZACIVSA-N 443.345 4.079 10 20 IICD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239367 XNIDAZOZOASMEV-MJGOQNOKSA-N 430.593 4.215 10 20 IICD CC[C@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1cc(Br)ccc1O 775548392 YMEAWRGFHDVFOT-IBGZPJMESA-N 432.362 4.420 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 776008450 SFMUPWXPNGLIQK-IBGZPJMESA-N 443.416 4.246 10 20 IICD CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2cn(C)nn2)cc1 776385968 JGNDSXIYRHJHIG-NBVRZTHBSA-N 439.519 4.273 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 790653811 YVCGUGMYSCBMEV-KRWDZBQOSA-N 431.558 4.230 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)NCCCCC(F)(F)F)CC2)cc1 794977408 UDUMDPVPBBPDOG-UHFFFAOYSA-N 425.467 4.454 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)C3CCC(NC(=O)C4CC4)CC3)c2C)c1 795955530 LMUWSPUKELLBGC-UHFFFAOYSA-N 436.552 4.213 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)cc1OCC(F)F 806827048 ZXPJZYADXFVCOP-UHFFFAOYSA-N 443.853 4.281 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 807095407 DAOVERZGSNJKFV-HOTGVXAUSA-N 435.490 4.004 10 20 IICD Cc1cc(C(=O)Cn2cnc(C(F)F)cc2=O)c(C)n1-c1cccc(C(F)(F)F)c1 813577680 AIRQELGHWMFPRD-UHFFFAOYSA-N 425.357 4.490 10 20 IICD O=C1N=C(SCc2nnn(CC(F)(F)F)n2)S/C1=C\c1csc2ccccc12 814772332 TWMXTTVBBNFLDY-XGICHPGQSA-N 441.485 4.354 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2C[C@@H]1C 831920530 MKJLKWYTGKPGQX-NSHDSACASA-N 449.504 4.187 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)cc4Cl)n3)ccc2N1 906485297 DSHMMPSYCVVPDV-UHFFFAOYSA-N 437.905 4.288 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 915290878 AUCAMIGJVOPVJE-UHFFFAOYSA-N 447.450 4.381 10 20 IICD CCN(CC)CCN(Cc1cccs1)C(=O)NCc1ccc(N2CCSCC2)cc1 916625313 BGOLBOGCMQEOGX-UHFFFAOYSA-N 446.686 4.355 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)s1 917877683 BEECKQOGBRSHKT-UHFFFAOYSA-N 446.478 4.060 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1Cc1ccccc1Cl 919907155 BCCMZNHZKZSOBS-LJQANCHMSA-N 431.939 4.232 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccc(N2CCOCC2)cc1 920866014 SDPDKHMFXBHQPT-GOSISDBHSA-N 449.576 4.208 10 20 IICD Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 920886212 DCPSTPGDIAZERL-GOSISDBHSA-N 442.581 4.083 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)N3CCN(c4ccc(OCC)cc4)CC3)c12 1323192733 JTBDOTJNWXDFCG-UHFFFAOYSA-N 434.540 4.414 10 20 IICD CCc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)co1 1800513569 MHSFFGGQYZSHCB-QQFNCUIESA-N 446.551 4.210 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1ccccc1 1820406316 WKWZQEOTRYWZRP-QGZVFWFLSA-N 440.887 4.094 10 20 IICD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(Cl)cc1 1841198949 MRMUBVFFFOPEFG-CYBMUJFWSA-N 449.334 4.025 10 20 IICD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1C 13264776 UFIUERVXQWJBLO-ODLFYWEKSA-N 449.557 4.442 10 20 IICD Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 108291113 FLJYWORTUUWMCJ-IAGOWNOFSA-N 437.515 4.262 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCc1ccc(Br)s1 302811459 IRKSVAMVZPLNBR-UHFFFAOYSA-N 437.403 4.329 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1C 472791675 PJIJIBKKSUHWLQ-UHFFFAOYSA-N 449.942 4.198 10 20 IICD Cc1c(CNC(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)n(C)c2ccccc12 503390450 LSRQZCBUBFVKBJ-FQEVSTJZSA-N 437.544 4.201 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 727241746 DCFRWJBAWNZDFS-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 727248740 FNDVMJGCPRWCPT-UHFFFAOYSA-N 446.478 4.060 10 20 IICD C[C@H]1Sc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cc2NC1=O 728839621 KGUMVENODZZECS-CYBMUJFWSA-N 437.487 4.390 10 20 IICD Cc1cc(C(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)c(C)n1-c1ccccn1 729200987 SLWXSNPYEPBFHY-HXUWFJFHSA-N 434.540 4.069 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1(c2ccc(F)cc2)CC1 729594543 PPQJNCQTEGMYBY-UHFFFAOYSA-N 437.437 4.170 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cc(C2CC2)nn1-c1ccccc1 731844616 LDUHBWOHCZEGGZ-QFIPXVFZSA-N 446.551 4.075 10 20 IICD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735440040 BZQQXKVJKNFBKG-UHFFFAOYSA-N 439.846 4.177 10 20 IICD COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 738459201 HZDGWAFYRIBCKI-QWFCFKBJSA-N 441.547 4.147 10 20 IICD CCOc1cc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OC(F)F 740920347 URJDVMHVFVLFDA-UHFFFAOYSA-N 431.483 4.405 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741209796 RIJKDZSOWQKHDS-UHFFFAOYSA-N 434.561 4.191 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cn1 743045606 QFVCSAYDVFTYSB-UHFFFAOYSA-N 426.523 4.114 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cn1 743046110 PSJPVQMUBUCJFJ-UHFFFAOYSA-N 440.550 4.422 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1)C1CCCCC1 743414839 YICOTYMLIWFDKW-QHCPKHFHSA-N 446.595 4.087 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1 743907151 WFUJCJSEQFHOMH-GFCCVEGCSA-N 427.526 4.124 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)ccc1C 745994412 CTAJHIGZSWAKHI-UHFFFAOYSA-N 434.564 4.428 10 20 IICD CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 749694511 SNNGGISODXVYST-GOSISDBHSA-N 449.555 4.440 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 753028538 ITDRVPROUPMZQI-QZTJIDSGSA-N 437.519 4.255 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1COc2cc(F)cc(F)c21 753421358 ZUNKKFDXFBUCMV-AWEZNQCLSA-N 427.245 4.098 10 20 IICD CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1 756434642 XKERFAYXBKSYNZ-OXJNMPFZSA-N 427.501 4.104 10 20 IICD C[C@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(Br)cc1O 756461288 VHDPNNLNTUASJC-AWEZNQCLSA-N 434.330 4.282 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2C)c1 760005044 ZFGVXGOPXMQHPY-QHCPKHFHSA-N 429.564 4.489 10 20 IICD C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1 765536864 UDXOURDBVXWCAF-AEFFLSMTSA-N 446.389 4.255 10 20 IICD C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1 765698365 SKUCGCQYVNMWBE-HRAATJIYSA-N 427.520 4.325 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768914568 FKNBPOVHJQLBHS-HXUWFJFHSA-N 438.959 4.243 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cnn(CC(F)(F)F)c1 775140204 SBTLSEXJRVCTNM-UHFFFAOYSA-N 442.488 4.249 10 20 IICD C[C@@H](NCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc(N2CCOCC2)cc1 775253651 AMHABNCTAZWENZ-KBMIEXCESA-N 435.593 4.141 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)CC2)cc1 776016797 VGILATGOHQWTTB-UHFFFAOYSA-N 438.915 4.262 10 20 IICD CC[C@H](C)Oc1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccn1 776895826 GKKRJFKDQJZREO-RCCFBDPRSA-N 444.551 4.011 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 778620520 MSZJFEAHBOSMKO-IIBYNOLFSA-N 434.005 4.469 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(C)c2O)cc1-n1nnnc1C1CC1 779049058 NRQQHQXRUUIOPE-GFCCVEGCSA-N 444.333 4.498 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](C(F)(F)F)CC[C@H]3C)cc2F)C[C@@H](C)O1 779979522 BPLOLVMGYLBVAI-KCYZZUKISA-N 431.474 4.312 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CNC3(c4ccc(C(F)(F)F)cc4)CCCC3)nc12 780322631 OHQROONUYZJTMV-UHFFFAOYSA-N 448.445 4.190 10 20 IICD COc1c(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cccc1C(N)=O 782842011 JLTUJFNDFABMIY-UHFFFAOYSA-N 442.313 4.216 10 20 IICD CCN1CCc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc21 783485227 HXZYWINDEUQQNO-SFHVURJKSA-N 428.536 4.384 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061392 BEZZTSCWYBKLDE-UHFFFAOYSA-N 445.947 4.252 10 20 IICD CSc1c(F)cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1F 784703466 RYRMFJWAFJSXAR-UHFFFAOYSA-N 433.524 4.178 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 788500629 DQJDGKNFPFFZIF-AOHZBQACSA-N 438.568 4.081 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cnc(-c4ccc(Cl)cc4)s3)cc2)C1 790530478 IXOITUAFPKPKNI-GOSISDBHSA-N 441.000 4.455 10 20 IICD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 793120449 OYYPASURWQUNHA-UHFFFAOYSA-N 443.519 4.248 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 797620203 BSLAACLZJBMVLP-MRXNPFEDSA-N 431.492 4.053 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800493655 PFHHMNHHJJFNQC-DLBZAZTESA-N 436.021 4.335 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 802609478 BNRRAQLCFIFWKL-UHFFFAOYSA-N 438.446 4.409 10 20 IICD CC(C)c1ccc(CN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1 803303000 WSSUWFODSBAAEB-HXUWFJFHSA-N 449.595 4.015 10 20 IICD COc1cccc(F)c1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 803676805 RHWMTSZBYFYTQW-KRWDZBQOSA-N 441.547 4.097 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C 804353854 DOXZFVVJTCVAKB-UHFFFAOYSA-N 426.538 4.208 10 20 IICD O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NCc1cc(Cl)cc(Cl)c1O 807834744 PPLGQRYFEUJHKF-UHFFFAOYSA-N 443.743 4.216 10 20 IICD CC[C@@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1O 810214568 BHVQXWCHHWEOFU-HXUWFJFHSA-N 435.490 4.320 10 20 IICD CCc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1O 813466088 ZYWZHEPPXVXGHR-FQEVSTJZSA-N 427.545 4.016 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c(C(F)(F)F)c2)NC(=O)OC(C)(C)C)cc1 815710480 NEWRZLASWKQMCM-INIZCTEOSA-N 440.466 4.095 10 20 IICD CCOC(=O)c1c(NC(=O)CS(=O)(=O)CC(C)C)sc(C)c1-c1ccc(C)cc1 915829091 YGRMDNGYGGBDJH-UHFFFAOYSA-N 437.583 4.218 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1Br 917080217 KFLULGYGWLASJG-UHFFFAOYSA-N 446.298 4.306 10 20 IICD O=C(Nc1ccccc1OC1CCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918296683 YKSUOSBZEQPYTH-UHFFFAOYSA-N 434.492 4.474 10 20 IICD COc1ccccc1Nc1ncccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920888747 ZPOGYFDMRTUIGJ-SFHVURJKSA-N 432.524 4.161 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(N2CCOCC2)cc1 1318030195 CODOMIIVRWDCOF-QUCCMNQESA-N 433.556 4.050 10 20 IICD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2cccc(Br)c2)cs1 40945706 RWSJWCCEFIRCTH-UHFFFAOYSA-N 440.300 4.282 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 108934196 ANZJJWOUDIBGCL-UHFFFAOYSA-N 446.498 4.374 10 20 IICD O=C(NCc1ccccc1O)c1cccc(NC(=O)c2cccc(Br)c2)c1 116289306 ZITPSHMUDCDLCQ-UHFFFAOYSA-N 425.282 4.337 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 727168218 KQPWMDGZFCKADV-XMMPIXPASA-N 430.504 4.387 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 729280137 NAFGXEIWWJQPNK-KRWDZBQOSA-N 432.520 4.284 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)ccc21 729396863 LEFKYFJJXFEDLG-IBGZPJMESA-N 443.588 4.234 10 20 IICD CCn1cc(/C=C(/Cl)c2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)cn1 732529977 FWGNIOUSKKOBCE-LDADJPATSA-N 447.992 4.184 10 20 IICD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCSc3nccs3)cc2)cc1 733972182 NDYVWESLMLKDDH-UHFFFAOYSA-N 446.619 4.338 10 20 IICD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCc3ccc(N(C)C)cc3C)CCCC2)c1 734402525 JWDPOUQXFVOLLS-UHFFFAOYSA-N 428.598 4.081 10 20 IICD Cc1cc(C(=O)COC(=O)COC2CCOCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 735361930 NYSONXUDLGYERK-UHFFFAOYSA-N 440.323 4.322 10 20 IICD Cc1ccc(Nc2cccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2)nn1 736069448 JQTJHONNFSPWAK-QZTJIDSGSA-N 449.530 4.211 10 20 IICD CCOc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 739922319 HBOVYHPSJZDKTJ-UHFFFAOYSA-N 447.491 4.141 10 20 IICD Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1NC(=O)NC(C)(C)C 740926576 PBLJBMXCPZAUAX-HXUWFJFHSA-N 439.556 4.442 10 20 IICD CC(C)(C)OC(=O)NCc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cs1 743432098 BXNZACXZIGMIIB-UHFFFAOYSA-N 443.525 4.309 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OC1(C2CC2)CC1 747773572 SEEKSULOQDKOHJ-NTEUORMPSA-N 438.368 4.136 10 20 IICD CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 749405133 CFAWJBJUXXJNSA-UHFFFAOYSA-N 442.575 4.416 10 20 IICD COc1ccc(CSCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-] 752085652 CHYDVUREVWGPGO-UHFFFAOYSA-N 442.493 4.364 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(CCC(F)(F)F)cc3)cc2)C1 753547299 KCWKOZCDJWRSKS-GOSISDBHSA-N 448.489 4.205 10 20 IICD COc1cccc(-c2noc(SCC(=O)NCc3ccc(N4CCCCC4)cc3)n2)c1 755189056 MYKLHOSODLTUDO-UHFFFAOYSA-N 438.553 4.144 10 20 IICD O=C1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1c1c(F)cccc1F 756208779 SMTOUIWKZOFYGD-HXUWFJFHSA-N 443.494 4.320 10 20 IICD C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(Br)cc1O 756547324 ZQAYHXUDOZEHHB-HUUCEWRRSA-N 436.369 4.457 10 20 IICD CNC(=O)CCOc1ccc(N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1 757591324 DLBOGLYRFXPNFQ-NSHDSACASA-N 427.726 4.496 10 20 IICD O=S(=O)(Nc1ccc(O)cc1F)c1csc(-c2cccc(Br)c2)n1 758169649 WQDMZEXCVQAREF-UHFFFAOYSA-N 429.292 4.218 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCC(F)(F)CC1 761899985 DTNHKSODTCFAIP-SDNWHVSQSA-N 430.567 4.424 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)[C@H](C(N)=O)c1ccc(Br)cc1F 764140511 JQSZVKMEDAOLIB-FQEVSTJZSA-N 434.353 4.237 10 20 IICD CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)Cc2ccc(N(C)C)cc2)c1=S 764860835 PLGQHVOVGTWGJG-UHFFFAOYSA-N 426.546 4.165 10 20 IICD C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 766512159 JHNXXSJMGBRLJX-LJQANCHMSA-N 432.628 4.093 10 20 IICD Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1cccc(C(F)(F)F)c1 767766450 NAASCTDQOXEGMA-LJQANCHMSA-N 431.462 4.261 10 20 IICD C[C@H](NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(N(C)C)cc1 773263125 AZAXNEJEUIPJCB-SFHVURJKSA-N 440.588 4.380 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 778918652 MTOFWZNHOCCVBC-FQEVSTJZSA-N 428.282 4.297 10 20 IICD Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)cn1 782243978 CXRKQUDWOJQWEU-UHFFFAOYSA-N 425.419 4.254 10 20 IICD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784059474 LMOGVPOFYAVREI-QGZVFWFLSA-N 436.556 4.102 10 20 IICD CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 784107666 TUKYGYUGWQPBLC-UHFFFAOYSA-N 436.556 4.415 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(CCCCC4)CC3)cc2)C1 786713193 XJRHOQADMJRJGY-NRFANRHFSA-N 426.605 4.034 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1)c1ccc(N(C)C)cc1 789744109 NENKHMAVJOVFMY-IBGZPJMESA-N 430.552 4.205 10 20 IICD CC(C)Sc1cccc(Cl)c1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 792977813 PEDVRFCSKZQREF-UHFFFAOYSA-N 439.046 4.365 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(Br)c3O)C2)CC1 793603530 AZMADNPSSXDVFH-UHFFFAOYSA-N 425.367 4.378 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCS(=O)(=O)Cc1ccccc1 794425301 FJTIXOJUMFRCSV-UHFFFAOYSA-N 444.578 4.048 10 20 IICD COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)N1CCCCC1 796392220 RTPVCQCQLSFVAI-UHFFFAOYSA-N 445.368 4.494 10 20 IICD O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 798022832 RUYQBMUXJBIUHK-CTYIDZIISA-N 446.525 4.070 10 20 IICD CC[C@H](C)N[C@H](CNC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccco1 807445695 YDTNURZYKPMYCB-WMLDXEAASA-N 438.366 4.409 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)ccc21 813612559 AOHFJLXRMONLLF-FQEVSTJZSA-N 442.604 4.190 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1 815153077 GSEQCHZVZIQHTK-QYYDGCESSA-N 444.616 4.015 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 914454982 WVLFZCYGLSAQEF-UHFFFAOYSA-N 445.479 4.282 10 20 IICD O=C(CCSc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456641 KISFYUNNJOCMOF-UHFFFAOYSA-N 442.478 4.480 10 20 IICD Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc12 916618507 MTVCNJOKJUGCSI-UHFFFAOYSA-N 442.880 4.500 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3cccc(Cl)c3)cc2F)C[C@@H](C)O1 917066908 XFEFRNPGDDXVDL-KZNAEPCWSA-N 447.982 4.402 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)sc2C)cc1 917850491 AKEIKUZACCSKFP-UHFFFAOYSA-N 431.514 4.252 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)C2CC2)cc1 918051734 BBCNBUAGKRRZLO-LJQANCHMSA-N 438.547 4.327 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1OC 918207827 JSWIVWZUKQIXNH-LZJOCLMNSA-N 429.536 4.398 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 918309070 URJZMLAETNHFSM-UHFFFAOYSA-N 449.551 4.316 10 20 IICD O=C(NCCCSc1nccs1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1319178818 YQLBDGCLOFQTHJ-SFHVURJKSA-N 427.599 4.247 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccc2ccoc2c1 1790891498 CVBKDSITMOCKPL-UHFFFAOYSA-N 443.459 4.301 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 206262569 WCGOMKCPBAFDGR-LDADJPATSA-N 429.519 4.286 10 20 IICD CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 482329821 BLOOGLTVHLODIT-UHFFFAOYSA-N 432.524 4.216 10 20 IICD CS(=O)(=O)c1cccc(Br)c1N1CC=C(c2c[nH]c3ncccc23)CC1 553248097 CIIHJHKCRGHAQI-UHFFFAOYSA-N 432.343 4.023 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)c2ccc(F)cc2)cc1 732114358 DZJPQHUVGKASKP-UHFFFAOYSA-N 449.526 4.254 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-n3cnnc3)cc2)cc1 732115409 ZPNOCEKKWOWGCR-UHFFFAOYSA-N 427.508 4.189 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4C(F)(F)F)cs3)cc21 735607802 PXVBWXZQYZEFGD-UHFFFAOYSA-N 440.424 4.300 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](OC)c3ccc(Cl)cc3)CC2)cc1 736403282 RTAMIPIVCPZKRT-VGOFRKELSA-N 431.964 4.347 10 20 IICD O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 738528980 NHRVOFYMIRDRBD-IBGZPJMESA-N 445.441 4.418 10 20 IICD O=C1CCCc2cc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc2N1 743142370 BSJJNUCSRLKTIF-KRWDZBQOSA-N 444.482 4.353 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl 747241218 QGMZGYOTFOMOSZ-UHFFFAOYSA-N 445.368 4.057 10 20 IICD CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 748628420 VWBBNIFYYRRKSU-OALUTQOASA-N 425.520 4.102 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC2(CCCC2)c2c(F)cccc21 749177546 BDSXUHKXVXOLQJ-UHFFFAOYSA-N 441.522 4.468 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cccc2ncccc12 751932330 YXHSUZYDNIUOPA-AWEZNQCLSA-N 432.505 4.048 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 753261108 FVWHUHRKFFRWHO-UHFFFAOYSA-N 425.508 4.106 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cnccc2-c2cccc(F)c2)C2CC2)cc1 753554225 LGSQCPNZRQLJPO-UHFFFAOYSA-N 432.499 4.083 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2ccc3ccccc3c2O)N2CCOCC2)cc1OC 756361921 IKFULYXSRLFUIE-FDDCHVKYSA-N 436.552 4.287 10 20 IICD C[C@H](N[C@@H](CO)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756714519 ZHQPQPVFGFSSBG-VFZGTOFNSA-N 433.115 4.441 10 20 IICD CC(C)(C)c1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n(-c2ccccn2)n1 758053647 JXXRIOIWDVXAHP-LJQANCHMSA-N 449.555 4.484 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3ccc(N4CCCC4)nc3)SC2=S)cc1 758414661 CSIXCDZEJLXBML-XMHGGMMESA-N 425.579 4.134 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nnc(C(C)(C)C)s1 758872581 APLJGIHNFPGWBE-UHFFFAOYSA-N 427.368 4.035 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)ccc1[N+](=O)[O-] 759158968 KRJORNQCRXGQEX-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)[C@@]12CCCO2 760881068 NHMPWEIUSYBKGB-WTIJQPERSA-N 449.183 4.294 10 20 IICD COc1ccc(-c2ccc(-c3noc(-c4cc(NS(C)(=O)=O)ccc4O)n3)cc2)cc1 762242988 OBYHXRQXMRSQKK-UHFFFAOYSA-N 437.477 4.156 10 20 IICD COc1ccc(CCC(=O)NCc2cccc(Br)c2O)cc1Br 765746301 FJHXVPQTVKDSKT-UHFFFAOYSA-N 443.135 4.175 10 20 IICD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 765841350 OTSPCYFBRZOACI-OAHLLOKOSA-N 447.251 4.080 10 20 IICD O=C1C[C@H](NCc2cccc(Br)c2O)CN1Cc1ccccc1C(F)(F)F 767190755 JHZSGLPMAHJCPF-AWEZNQCLSA-N 443.263 4.064 10 20 IICD Cc1ccc(NCc2cccc(Br)c2O)cc1NC(=O)CN1CCCCC1 770540674 KKVUWMFRHHCBJO-UHFFFAOYSA-N 432.362 4.500 10 20 IICD C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119193 HIDMICWPAJZNHQ-IERDGZPVSA-N 431.939 4.162 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2)c1 773860065 YIJWZKAQONVWAU-QGZVFWFLSA-N 432.524 4.318 10 20 IICD Cc1cc(C(=O)N2CCC(O)(C(F)F)CC2)c(C)n1-c1ccccc1Br 779303531 CNMODNJWEREJDB-UHFFFAOYSA-N 427.289 4.089 10 20 IICD CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1 782094836 PLWABRSPLATJQW-KRWDZBQOSA-N 444.963 4.151 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 784025866 MKMVWBXOFGVFEU-UHFFFAOYSA-N 445.519 4.330 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cn(C)c2ccccc12 791247025 SVTJJZQBQVFJDP-UHFFFAOYSA-N 435.568 4.500 10 20 IICD C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)cc2)C[C@@H](C)O1 792936182 RQEHHHDMGRTSGW-IAGOWNOFSA-N 449.517 4.311 10 20 IICD Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)nc1Br 793036680 RAWQFIZZZXIEMS-UHFFFAOYSA-N 431.334 4.039 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 795612517 WHTDTMZOBWPEFO-UHFFFAOYSA-N 433.511 4.453 10 20 IICD C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)nc3)cc2Cl)C1 800149064 VVPOHIURQJIZJP-CQSZACIVSA-N 428.385 4.244 10 20 IICD Cn1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)s2)cn1 800792691 GPARUEMMZGTKIS-REZTVBANSA-N 427.532 4.283 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 802610519 DKASCYGWYNDEDJ-UHFFFAOYSA-N 434.540 4.271 10 20 IICD Cc1cc(-c2csc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)c(C)o1 806856263 FVPPFIPCYAEECJ-UHFFFAOYSA-N 438.553 4.216 10 20 IICD CC(C)NC(=O)CSc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O 813684158 LATFKXPHYAHYOU-UHFFFAOYSA-N 427.353 4.246 10 20 IICD Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 844137919 ZNYAWNFFDSRKDS-UHFFFAOYSA-N 445.456 4.144 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1C 914874270 NABKOJHTYYTPSW-UHFFFAOYSA-N 448.566 4.262 10 20 IICD COc1ccc(Br)c2[nH]c(C(=O)NCc3ccc(N4CCCC4)cc3)cc12 917117751 TZWATXUJONARMD-UHFFFAOYSA-N 428.330 4.469 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1 917643012 ATHFLNUWCMQEJD-UNOMPAQXSA-N 428.535 4.076 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1 918134639 AWJKSUJQEDWSPR-UHFFFAOYSA-N 433.955 4.217 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)CC2)cc1 919914590 IIRDRMPBKYJXGG-JOCHJYFZSA-N 439.556 4.387 10 20 IICD C[C@@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4C[C@@H](C)OC(C)(C)C4)c23)CC(C)(C)O1 920863821 DSANHLZYCRVEQD-QZTJIDSGSA-N 442.600 4.250 10 20 IICD Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC[C@H]2CCCO2)c1 920872757 HCBOIDMOIHZFJZ-SIKLNZKXSA-N 439.556 4.272 10 20 IICD C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872984 SSALIVZUDKMGQL-MRXNPFEDSA-N 442.947 4.186 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H]1C[C@@H](C)c3c(C)ccc(O)c31)CC2 1254730864 YMPWWRZFKMSSTM-YLJYHZDGSA-N 438.568 4.221 10 20 IICD COc1ccc(C(NCc2ccc(N3CCN(C)CC3)c(F)c2)c2ccc(OC)cc2)cc1 1338757021 XSJIWSFIDMIEBD-UHFFFAOYSA-N 449.570 4.474 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1 1787613038 NMNIAVGMYIGJPB-NTUHNPAUSA-N 436.508 4.141 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3F)[nH]n2)cc1 1821157499 KFKBDLFSZJCWSA-ONTIZHBOSA-N 449.530 4.481 10 20 IICD Cc1cccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c1 1845398305 YRBKTKQXVYPAFA-UHFFFAOYSA-N 441.575 4.462 10 20 IICD C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccc(N2CCOCC2)cc1 116721942 NRYWDYXURIUTAY-INIZCTEOSA-N 425.529 4.201 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)cc2F)CC1 303318745 QVUOLOSDNVOUQP-XMMPIXPASA-N 442.579 4.173 10 20 IICD Cc1cc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)ccc1NC(=O)C1=S=CC=C1 445437372 CASBQQSOCNEXLS-UHFFFAOYSA-N 427.489 4.114 10 20 IICD Cc1c(CNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 472228457 FVQDBMWJZYWVIQ-KRWDZBQOSA-N 449.473 4.087 10 20 IICD Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C1/CCn2c1nc1cc(C(=O)O)ccc1c2=O 611744909 VSIVSRWESJUHCU-ZROIWOOFSA-N 448.429 4.120 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725887329 HJXZCLOXHITGEM-XMMPIXPASA-N 445.563 4.313 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)Nc1ccc(Cl)nc1 727078629 ZYLHFRPQRUYXST-UHFFFAOYSA-N 430.883 4.077 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc21 728471280 ZSFHNMUUYGQZJM-LJQANCHMSA-N 435.568 4.232 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 731284057 VEQYJBSRFIXEMY-KRWDZBQOSA-N 429.536 4.175 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](c3cccc(Cl)c3)N(C)C)cc2F)C[C@@H](C)O1 731870155 FEESTDBUSLAXOI-ZMPRRUGASA-N 433.955 4.012 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1 734066905 GUIXJPCNQBKRPG-UHFFFAOYSA-N 448.445 4.222 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(N(C)C)cc3C)cc2)cc1 734503052 QZFNJLFBZIXCKR-UHFFFAOYSA-N 437.565 4.165 10 20 IICD Cc1cc(C(=O)O[C@H](C)c2nc3cc(Br)cnc3[nH]2)c(C)n1-c1ccccn1 735213922 HTJQUIXSWSHOCW-CYBMUJFWSA-N 440.301 4.441 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742244471 NIMUJYYMPWBWTB-JOCHJYFZSA-N 448.394 4.283 10 20 IICD CN(C)c1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1 742385217 STQGSLQHFCMCMO-QHCPKHFHSA-N 430.520 4.314 10 20 IICD COC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743123314 IKQQDICUSSWFNZ-INIZCTEOSA-N 448.470 4.281 10 20 IICD CCCn1ccc2ccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc21 743179383 LZHLDLPWKZVQQA-HXUWFJFHSA-N 433.556 4.075 10 20 IICD CCC(CC)c1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)on1 743555383 XCNIQKIUKZOUPA-HZPDHXFCSA-N 432.540 4.330 10 20 IICD CCN(CC(=O)Nc1ccccc1Br)Cc1cc(Br)ccc1O 744427046 WZXHJWVDTKRKRO-UHFFFAOYSA-N 442.151 4.378 10 20 IICD CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 750230552 NGSHYQZGPLKXKX-MSOLQXFVSA-N 438.505 4.164 10 20 IICD CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 750720726 PGRWAUXFQZXKHA-UHFFFAOYSA-N 443.591 4.427 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)C3)c(C)n1-c1cc(Cl)cc(Cl)c1 752302369 JJFZYODSUQSAFG-UHFFFAOYSA-N 434.367 4.186 10 20 IICD C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 759579393 MMIDCVVEMXFJRN-NXSJDDFASA-N 429.778 4.354 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3ccccc3)c2C)cc1 763722054 GRBDMFGIMZTZAV-DHLKQENFSA-N 434.536 4.067 10 20 IICD CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl 764458113 QJYZGBQTLKHKKI-DVECYGJZSA-N 444.019 4.307 10 20 IICD C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCOCC2)cc1Cl 765285755 GFQFFSHICUOBLY-LJQANCHMSA-N 444.019 4.236 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 765972616 BMGYNPJIEYVKER-OAQYLSRUSA-N 427.520 4.106 10 20 IICD O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 767689966 LEYYPPNJIMNESM-SFHVURJKSA-N 448.560 4.422 10 20 IICD CCCN(Cc1ccccc1O)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 770467666 FPVPFQUZQJHFJL-UHFFFAOYSA-N 438.837 4.422 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1cccnc1Oc1cccc(Br)c1 770631779 WBMVQULBXALNEN-UHFFFAOYSA-N 429.270 4.020 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(C)[C@@H](C)[C@H]2C)sc(C)c1-c1ccccc1 771459874 MLLJAIGYSATRCL-DLBZAZTESA-N 443.613 4.253 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCCO3)nc1-c1cccc([N+](=O)[O-])c1 771594554 GEROKJKSUZNWFE-UHFFFAOYSA-N 431.495 4.153 10 20 IICD Cc1ccc(-n2nc(C)c(NC(=O)CN(Cc3ccc(N(C)C)cc3)C3CC3)c2C)cc1 771791701 QWQLHMIOXAOCCX-UHFFFAOYSA-N 431.584 4.467 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)c1ccc(N(C)C)cc1 773850298 ZCQWJRYINIEKEC-AWEZNQCLSA-N 440.341 4.484 10 20 IICD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccccc1O 776184646 JOJAGNKTIRKBEP-LJQANCHMSA-N 435.362 4.334 10 20 IICD C[C@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(N2CCOCC2)c(F)c1 776871972 OMZQCJYVDLZMCD-FQEVSTJZSA-N 438.591 4.367 10 20 IICD CCOC(=O)c1c(NC(=O)c2cnc(C(=O)OC)cn2)sc(C)c1-c1ccc(C)cc1 779745145 DPJMGGGNAXFGMF-UHFFFAOYSA-N 439.493 4.038 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3cnccc23)cc1 782423631 COSQDNMYXXLTQN-UHFFFAOYSA-N 428.492 4.061 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cnn(C)c3)ccc2F)cc1 782630148 SSTDDIQZBKMPFI-QFIPXVFZSA-N 436.531 4.114 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 786841581 RSJLRMNJMJYCLV-INIZCTEOSA-N 440.993 4.031 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(COC)ccc3OC)n2)cc1 795547420 HHDFBJCUBWDTRC-UHFFFAOYSA-N 434.539 4.165 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1 795548312 LJFFXXMNVBYJEA-UHFFFAOYSA-N 436.580 4.488 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1F 799926220 ZVBCIWJMAMRJKB-GOSISDBHSA-N 428.552 4.033 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(CC(F)(F)F)CC3)cc2Cl)C1 800049581 QZWGBGNNHZFLTA-OAHLLOKOSA-N 431.930 4.467 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(C)n1-c1ccccn1 801510613 ADSHCYNABSQDSM-IBGZPJMESA-N 426.561 4.255 10 20 IICD C[C@H](NC(=O)c1nc(Br)sc1C1CC1)c1ccc(N2CCOCC2)cc1 806614655 ZRXHDEHRXSZAJZ-LBPRGKRZSA-N 436.375 4.111 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806846802 XWXLAMQSQOLJEU-UHFFFAOYSA-N 427.854 4.412 10 20 IICD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O 807386716 GDTBWLRJMXEYLX-UHFFFAOYSA-N 449.345 4.115 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(-c2ncc3n2CCCC3)c1 812970707 SDBUQEKIIJEFTQ-UHFFFAOYSA-N 449.530 4.184 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1 812988105 ZOJUZWRMYXSCCL-VWLOTQADSA-N 449.555 4.079 10 20 IICD CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N[C@@]2(C)CCOC2=O)cc1 813296721 XYLYRXQWFCVHPW-ANQUPQIBSA-N 441.531 4.223 10 20 IICD C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 821699863 QUZNBUDPVLKBNI-HNNXBMFYSA-N 428.444 4.121 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c([N+](=O)[O-])cc1OC 914499640 ZONPYZIACINFRP-UHFFFAOYSA-N 439.468 4.114 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(OC(F)F)c1 916631944 OLMMMWHCIWGNPL-UHFFFAOYSA-N 445.388 4.465 10 20 IICD COc1ccc(N2CCCN(Cn3[nH]c(/C=C\c4ccc(C)o4)nc3=S)CC2)cc1 917484879 JBGKXOCDQRDSSB-KHPPLWFESA-N 425.558 4.191 10 20 IICD CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccc(N2CCSCC2)cc1 918070906 XAFSTIZMASLIFM-UHFFFAOYSA-N 449.624 4.404 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)ccc21 918196392 RFCHUGZFNNYZHL-UHFFFAOYSA-N 431.539 4.120 10 20 IICD COc1cc(Br)c(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 919777348 JHSASIMNFQVXST-UHFFFAOYSA-N 434.334 4.388 10 20 IICD COCCCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920921153 YSUNXCYWXDWTQF-NRFANRHFSA-N 425.573 4.223 10 20 IICD CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1350554012 ZDIKFVVEJNYRKT-NRFANRHFSA-N 425.916 4.047 10 20 IICD Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccccc1F 108563280 KYXJONGWKIEZFU-UHFFFAOYSA-N 433.483 4.475 10 20 IICD Cc1ccc(C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccn2)cc1 303645235 ILQBYQHHBZQTTB-XMMPIXPASA-N 448.542 4.149 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC2(CCC2)c2c(F)cccc21 726288954 QLQKSLPZUHUDHV-UHFFFAOYSA-N 435.543 4.243 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCCOc2ccccc21 726615497 BNBMFWMWOXEJOU-HXUWFJFHSA-N 431.483 4.470 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3ccc(F)c(F)c3)CC2)c1 729465710 IIPUOEXRWPKYBN-UHFFFAOYSA-N 444.522 4.085 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)COCc1cccs1 731107006 MQEREJAKXPCXKJ-LJQANCHMSA-N 432.586 4.103 10 20 IICD Cc1ccccc1CN1CCCN(C(=O)CN(Cc2ccco2)Cc2ccccc2O)CC1 731844161 MYKWYUKBIURTJV-UHFFFAOYSA-N 447.579 4.030 10 20 IICD COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 732934611 QAMBKRKNEXSWQW-QZTJIDSGSA-N 428.548 4.333 10 20 IICD COc1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)c1OC 733334365 INALZCGIVMHMSK-QGZVFWFLSA-N 425.356 4.470 10 20 IICD C[C@H](CN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1)NC(=O)/C=C\c1cncc(F)c1 733955912 SMVRXHAOQNVQBC-NCKRTHMMSA-N 448.473 4.019 10 20 IICD CCn1ncc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc21 737158130 JLRNCSVLMBLFLH-UHFFFAOYSA-N 433.556 4.080 10 20 IICD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2 741240390 MXLCTULVOPRQKW-YADHBBJMSA-N 430.976 4.069 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@]12CCc1ccccc12 743312290 OEBPCBRJICXTQK-GMAHTHKFSA-N 430.470 4.062 10 20 IICD O=C(NCc1ncc(-c2ccccc2)o1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743555452 YUUNNVODXPRHCL-KRWDZBQOSA-N 442.466 4.411 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c(C(C)C)c1Br 743808527 ZVJQJSZAGWIBOW-UHFFFAOYSA-N 445.155 4.426 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 744363445 BJTRINJKSUETCM-UHFFFAOYSA-N 433.474 4.235 10 20 IICD CN(C)c1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1 746994185 DGWKEFPBMLLMIU-UHFFFAOYSA-N 437.613 4.080 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)c1cccc([N+](=O)[O-])c1 749666617 RWWGVZXZTLLAJE-GOSISDBHSA-N 427.482 4.075 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 750066661 GWGYISJPBZTDSM-UHFFFAOYSA-N 428.646 4.345 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)sc(C)c1-c1ccccc1 750261371 KYDAXFUZWUKARG-RTBURBONSA-N 442.581 4.197 10 20 IICD COc1ccc(N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1F 753856558 GXQSMCIWWOOMTE-UHFFFAOYSA-N 436.409 4.225 10 20 IICD C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(Br)c1O 757613229 PPAYAMZKTZPQJN-SECBINFHSA-N 440.135 4.376 10 20 IICD CCC(CC)(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 759014999 AWFRSSPWPRWCET-LJQANCHMSA-N 440.584 4.476 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC[C@@H]1CCCCO1 760722746 RUNQEYHTLAKWDD-YIQZXQSLSA-N 438.640 4.195 10 20 IICD CCC1(C(=O)NCc2cccc(Br)c2O)CCN(C(=O)c2ccccc2)CC1 765752947 KGJDKIRXVKGDMO-UHFFFAOYSA-N 445.357 4.104 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl 768170517 IUZYGVPQZXQFPH-UHFFFAOYSA-N 434.323 4.023 10 20 IICD Cc1sc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1-c1ccc(OC(F)F)cc1 768847914 GHQFAWQKEYFNSF-UHFFFAOYSA-N 447.466 4.490 10 20 IICD C[C@@H]1c2ccccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769776207 JKPBPKFRJWPPJY-CQSZACIVSA-N 428.535 4.014 10 20 IICD C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCOCC2)cc1Cl 773087379 LBEDDUVEYQJSTJ-OALUTQOASA-N 429.008 4.448 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(N(C)C)cc1 773849738 ZUDKMBRUHWVUAC-GFCCVEGCSA-N 443.853 4.163 10 20 IICD COc1c(Br)cccc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O 773897089 HXTUWLBDBNHQDU-XNTDXEJSSA-N 435.368 4.297 10 20 IICD C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccc(N(C)C)cc1 773993912 KRHVJMICXYCHQI-OAHLLOKOSA-N 429.567 4.106 10 20 IICD C[C@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(N2CCOCC2)cc1 775255044 NPIZSQZKUSDBKK-NZQKXSOJSA-N 429.564 4.343 10 20 IICD C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 777302441 PRERUSWIQOWJBV-NQVYGRNNSA-N 445.629 4.407 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1-n1cccn1)c1ccc(N)cc1 783483362 UWWONMFZUGNUML-SFHVURJKSA-N 425.492 4.187 10 20 IICD CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 783889531 GLCGJSDCBXULOC-HSZRJFAPSA-N 446.507 4.077 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3-n3cccn3)CC2)cc1F 788307995 VXOQFRGGZZNCJM-UHFFFAOYSA-N 429.883 4.028 10 20 IICD CN1C(=O)Cc2cc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)ccc21 788331371 MEHZXXMDWFZXAP-OAQYLSRUSA-N 439.475 4.365 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3csc4ccccc34)n2)o1 795551144 ZOFUXEPIPYBVKE-UHFFFAOYSA-N 433.536 4.055 10 20 IICD COc1cc([C@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)ccc1OCCO 796281708 RMVBMDAJLZSSBS-FQEVSTJZSA-N 432.564 4.480 10 20 IICD CC(C)[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccnc1 797894165 UWNQBYAJFZGMND-FCHUYYIVSA-N 440.588 4.269 10 20 IICD COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1F 800637022 SFQQBNXSRZWWJV-CQSZACIVSA-N 447.938 4.287 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1)c1ccc(N(C)C)cc1 804974486 LIGGYVDFWPLWDZ-QGZVFWFLSA-N 435.499 4.178 10 20 IICD CC(=O)C(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1 808013851 RYONPXVMABFQCM-UHFFFAOYSA-N 434.542 4.424 10 20 IICD CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 812477459 OTJMGIAYLKPQKD-QHCPKHFHSA-N 430.976 4.269 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 914612847 BOZGNYKBOLMGHM-UHFFFAOYSA-N 443.507 4.087 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 915291109 XCYTTXVCDAFRJM-UHFFFAOYSA-N 431.904 4.243 10 20 IICD CC(C)[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 915930872 AUASOUQTMFSRMA-YKSBVNFPSA-N 440.540 4.251 10 20 IICD O=C(NCc1ccnc(OCc2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916397704 LDDCQTJLWFLAIU-HSZRJFAPSA-N 447.535 4.257 10 20 IICD CC(C)c1ccc(CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)cc1 918118900 VXKVXGYYIDNFCW-QHCPKHFHSA-N 448.611 4.386 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3OC(F)F)cc2F)C[C@@H](C)O1 918200176 YZTMPWMGVKGUET-GASCZTMLSA-N 437.462 4.040 10 20 IICD CC(C)(C)n1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C(F)(F)F 918617068 JGNDDVGIOGIACJ-UHFFFAOYSA-N 426.508 4.140 10 20 IICD O=C(COC(=O)Cn1c(=O)oc2ccccc21)Nc1ccc(N=Nc2ccccc2)cc1 1317691952 FHZRQDDXLXSRSB-UHFFFAOYSA-N 430.420 4.192 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc2Cl)C1 1321717522 WUIOGLCCJBDGBI-AWEZNQCLSA-N 441.881 4.073 10 20 IICD Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c1F 1788425157 DOCZWNXASYBUSJ-UHFFFAOYSA-N 435.455 4.002 10 20 IICD O=C(CC1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708815 PZEBXJMLVPWFIC-CYBMUJFWSA-N 449.960 4.014 10 20 IICD CCOC(=O)c1sc2ncnc(NCc3ccc(N4CCSCC4)cc3)c2c1C 301055818 AHVFEQQEQXAYNX-UHFFFAOYSA-N 428.583 4.342 10 20 IICD Cc1c(CNC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)n(C)c2ccccc12 471219531 RJMJCTSWKUJHGT-INIZCTEOSA-N 430.474 4.433 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1F 731409702 YUYATDQNVPGZSN-UHFFFAOYSA-N 429.389 4.085 10 20 IICD C[C@@H](NC(=O)N1CCC(Cc2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 732243708 SCFJTEYHSXKISW-LJQANCHMSA-N 425.548 4.388 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccncc2F)c(C)n1-c1ccc(Br)cc1 741375506 DLQFTVKLAOGYPY-UHFFFAOYSA-N 431.261 4.430 10 20 IICD CC(=O)NC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 742614262 FUIUZHNIJJPDNQ-GOSISDBHSA-N 435.490 4.144 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CCc2cc(F)ccc2F)NC(=O)OC(C)(C)C)cc1 742750448 NWEATCGQEYADIS-OAQYLSRUSA-N 447.526 4.346 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(F)cccc3[nH]2)NC(=O)OC(C)(C)C)cc1 742752294 FUNIJGFYLPQCJO-OAQYLSRUSA-N 440.519 4.369 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 743046013 KNEBMLMZOLAUHK-UHFFFAOYSA-N 427.551 4.082 10 20 IICD CN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 743346554 DKYFHUPNKLTKFS-UHFFFAOYSA-N 433.556 4.446 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCC(F)(F)C(F)F 744677605 KVXSCVMYOKMWMX-JXMROGBWSA-N 427.466 4.173 10 20 IICD C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 745798131 WGLMYYOBUSAEFJ-WMZOPIPTSA-N 431.577 4.106 10 20 IICD Cc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)C2=O)cc1 745857281 GCHUFBRSUDVTQZ-XMMPIXPASA-N 446.551 4.171 10 20 IICD Cc1nccn1C[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C 745868070 WEUWGSHAYLOGNT-CQSZACIVSA-N 429.362 4.428 10 20 IICD CCCCCN(C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C 749416770 WUBQICMYDHSQFV-UHFFFAOYSA-N 442.583 4.053 10 20 IICD O=C(NCc1ccccc1N1CCOCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 749669946 FJZGRXDNHFLBNF-UHFFFAOYSA-N 443.507 4.194 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2I)c1 750627993 ZDOJDBOBSWEFSD-SECBINFHSA-N 430.217 4.027 10 20 IICD O=C(NCc1cccnc1OCC(F)F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 763904799 SIGGRLRQRONWDN-UHFFFAOYSA-N 439.422 4.396 10 20 IICD Cc1ccc(O)c(CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 768225246 FSDLKCUATJKGCN-UHFFFAOYSA-N 432.446 4.087 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2ccc(F)cc2)CCOCC1 768916504 RROHXISGEXFOMR-NRFANRHFSA-N 446.950 4.014 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnc(Cc4ccccc4F)s3)CC2)cc1 771933178 SOPQSTCHORQYQV-UHFFFAOYSA-N 425.529 4.234 10 20 IICD CN(CCCNC(=S)Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccccc1 774566410 OAXSVWGLCSEHED-UHFFFAOYSA-N 425.646 4.030 10 20 IICD C[C@H](NCC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775254194 INSGWMWFWCWKQX-WXVAWEFUSA-N 443.591 4.274 10 20 IICD COc1cccc([C@H](NCc2cc(OC)c(OC)cc2O)c2cc(F)ccc2OC)c1 776232724 YPHHZWPHJCUTRH-DEOSSOPVSA-N 427.472 4.445 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)n2)c(C)o1 778078379 HICPWLZKLKOWID-UHFFFAOYSA-N 433.433 4.157 10 20 IICD COc1ccc(N2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 783919734 KNDVCFYBVGFAHZ-UHFFFAOYSA-N 435.933 4.088 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c2ncccc12 784109765 XMQQYUZWNBFPOR-UHFFFAOYSA-N 432.524 4.378 10 20 IICD CC(C)Oc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 787244671 ZOAPCVCAONLMDV-UHFFFAOYSA-N 438.568 4.200 10 20 IICD COc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(OC(C)C)c1 789637731 CBWNRCBYBTVPHY-UHFFFAOYSA-N 447.535 4.227 10 20 IICD COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1C 789734327 IPHZONZQKGKENN-UHFFFAOYSA-N 446.476 4.047 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)cc1F 792078814 BRMAQAATNNQZAH-SFHVURJKSA-N 448.564 4.270 10 20 IICD COc1ccc(N2CCN(C(=O)c3c(-c4cccc(Cl)c4)noc3C)CC2)cc1F 795160228 QQZWIJLSZGUWPJ-UHFFFAOYSA-N 429.879 4.414 10 20 IICD CCS(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)s1 796362660 KYTJZUUTMNFKSF-UHFFFAOYSA-N 426.607 4.394 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)c1cccc(C(F)(F)F)c1 796744024 KUUUEAMOLAJUID-QAPCUYQASA-N 444.400 4.125 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO1 812277805 YYOREKFECRXHEA-CQSZACIVSA-N 449.374 4.290 10 20 IICD C[C@H]1CCCN(c2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccn2)C1 812494850 SGDQTHICAJURHH-KRWDZBQOSA-N 444.526 4.318 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cc(OC)c(OC)cc3C)sc2C)cc1 914577376 ZVFQEXOIBSGLDU-UHFFFAOYSA-N 434.539 4.254 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(OCC(F)(F)F)c1 916679845 HLJUTIPMUWARAU-UHFFFAOYSA-N 441.425 4.050 10 20 IICD COc1ccc2cc(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2c1 917999556 RMTJSDYRZSNBCJ-UHFFFAOYSA-N 433.552 4.057 10 20 IICD Cc1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)n1-c1ccc(Cl)cc1 918579417 ZXPSZJKDEIVHOE-HSZRJFAPSA-N 436.899 4.054 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C(=O)c4ccsc4)CC3)c2C)cc1 918673304 XSBIWGJKBJQWBL-UHFFFAOYSA-N 437.565 4.153 10 20 IICD O=C(NCCOc1cccc(Cl)c1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 919922844 RONYNQCYWMFLPZ-MRXNPFEDSA-N 439.339 4.469 10 20 IICD C[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCOCC2)cc1 920865483 FDSBTLBZJQQCEY-SFHVURJKSA-N 434.561 4.134 10 20 IICD Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1320249443 ZVZIFOHEQLYBRC-WMZOPIPTSA-N 434.627 4.317 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 1324626933 LJCDNHZWTNGFOJ-UHFFFAOYSA-N 438.509 4.079 10 20 IICD Cc1ocnc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790777777 KETKTLNJPZWDCR-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S 40006444 BBVKIXYNISABCR-PDGQHHTCSA-N 431.510 4.471 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3C(=O)c3ccc(F)cc3)CC2)cc1 108578442 FOYVBWHCZAVWHE-UHFFFAOYSA-N 432.495 4.418 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2cccs2)n1CC 302921494 NCFDLTWHVQXUSV-UHFFFAOYSA-N 429.615 4.233 10 20 IICD O=C(NCC1(N2CCSCC2)CCCC1)N(Cc1ccco1)Cc1ccccc1O 726098234 YRDPLCQXMUYXGG-UHFFFAOYSA-N 429.586 4.059 10 20 IICD O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726626006 SOTCUDNYDJAYBS-WADIDORASA-N 434.527 4.094 10 20 IICD Cc1csc(CCCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 727172915 OROLQIJBDDOGPG-IAGOWNOFSA-N 434.581 4.026 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)cc2F)CC1 731283528 LMTBWPIITMWUST-FQEVSTJZSA-N 438.591 4.478 10 20 IICD Cc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccccc1C(C)C 731857059 WSBDOSIAILXBAL-FQEVSTJZSA-N 434.540 4.226 10 20 IICD Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1-c1cccc(Cl)c1 731857484 DJNHJJHQJAWFIY-HXUWFJFHSA-N 425.916 4.361 10 20 IICD C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 733098283 ZNSFOPJPJSTOHP-KFWWJZLASA-N 438.902 4.316 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCn2c(C)c(C)sc2=O)cc1 734436832 AUPJOUGFPLRWFY-UHFFFAOYSA-N 439.581 4.225 10 20 IICD CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(NC(=O)/C=C\c2cncc(F)c2)cc1 735444505 XZYMBGMILQQPTL-UIYSNZQUSA-N 434.446 4.473 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 741099831 JNDXOKLXDQBXLT-UHFFFAOYSA-N 441.531 4.205 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(c4ccc(N(C)C)cc4)CC3)ccc21 741982090 HTQBLGZHNKPXMQ-UHFFFAOYSA-N 448.611 4.369 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC(O)(CC)CC2)sc(C)c1-c1ccccc1 744410361 DTCNGBRDIYXKLF-UHFFFAOYSA-N 430.570 4.076 10 20 IICD CCN(C)c1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745808424 LLUVHOINERZAFD-SFHVURJKSA-N 432.515 4.212 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C(=O)c2cc[nH]c2)cc1 748718965 ODCNLWGMBXQSIG-LJQANCHMSA-N 439.462 4.246 10 20 IICD C[C@@H](SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc2ccccc2[nH]1 752151469 IJPZGNOAXQRABO-AEFFLSMTSA-N 425.554 4.271 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1 752877733 GHOPGBOXNDCOST-HNNXBMFYSA-N 445.516 4.187 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)n1 753906701 XFOLMDOYKHALPA-UHFFFAOYSA-N 435.553 4.452 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nnc3n2CCC3)c(C)n1-c1cc(Cl)cc(Cl)c1 754666362 PICGMGYSFMRJIH-UHFFFAOYSA-N 432.355 4.253 10 20 IICD COc1cc(C)cc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1O 754727502 ZILTXIZIRUYANX-UHFFFAOYSA-N 426.538 4.142 10 20 IICD O=C(NCc1ccc(Oc2ccccc2)nc1)NCc1cccc(Br)c1O 764768915 JMHBRGIKCNFDPW-UHFFFAOYSA-N 428.286 4.341 10 20 IICD COc1ccc(CN2CCC(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)cc1 765460497 YMJAHFUHIIFAKD-HXUWFJFHSA-N 441.591 4.234 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)c(Cl)c1F 767477837 JXWFAAUIUFEYCJ-UHFFFAOYSA-N 441.728 4.350 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 768207958 LACVINSFRHIZHP-UHFFFAOYSA-N 432.355 4.043 10 20 IICD COc1ccc(CN(C)Cc2cc(Br)cc(OC)c2O)cc1OC(F)F 768251952 BTHWCAZRRNPAKQ-UHFFFAOYSA-N 432.261 4.405 10 20 IICD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 768911713 HFXRQMFMLOPVDS-HNNXBMFYSA-N 435.933 4.070 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cc(O)ccc2Br)SC1=S 769777411 QGZSWRNKPSVLKW-UKTHLTGXSA-N 430.345 4.001 10 20 IICD Cc1cc(C)cc(C2=CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)c1 770264049 QXDBOUCEIAWLSW-UHFFFAOYSA-N 437.559 4.403 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1-c1ccccc1 772450687 RSOHLAFEKHEAGS-IRXDYDNUSA-N 437.519 4.255 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3nc4cccc(Cl)c4n3C)cc2)CC1 773292644 ORSZZPMOZWMTGN-UHFFFAOYSA-N 425.964 4.462 10 20 IICD Cc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c2cccs2)cc1 775261297 UTIXLEKFXCIJCY-RXFWQSSRSA-N 449.620 4.450 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccccc1Cl 776474844 IYCZNTRNTWXRNY-SFHVURJKSA-N 425.916 4.361 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]2CCCC[C@@H]12 782712488 QSBMXQWCRUKJKA-BPAFIMBUSA-N 425.495 4.262 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1OC(C)C 782896953 RNFKRFCDAOMEHQ-UHFFFAOYSA-N 440.540 4.488 10 20 IICD CC[C@@]1(C)Oc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2O1 785873040 SVGRQYVNHAWLSS-QHCPKHFHSA-N 429.492 4.006 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCC=CO2)sc(C)c1-c1ccccc1 787030755 AUIRAUNQXGMBPI-MRXNPFEDSA-N 429.494 4.075 10 20 IICD C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 795807678 HTCUUAJLLILZPU-CYBMUJFWSA-N 448.894 4.235 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1 797672746 ZYPKONBNISCNKQ-UHFFFAOYSA-N 437.290 4.004 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F 801548342 SPXOFVMHRTZLDI-UHFFFAOYSA-N 436.549 4.003 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3cccc(Br)c3)cc2)CC1 801749954 VOXPLPSDOJAUBL-OAQYLSRUSA-N 446.389 4.218 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 802609944 MVLWDHJIERREQM-UHFFFAOYSA-N 440.540 4.026 10 20 IICD CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 805723978 VCGBCTQSTLGNIW-HXUWFJFHSA-N 443.496 4.116 10 20 IICD COc1ccc(O)c(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 806858277 HVPLADHTZYCYQV-FQEVSTJZSA-N 428.529 4.309 10 20 IICD CC(C)c1csc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 807952087 DJXPRNKFEYRXHQ-OAHLLOKOSA-N 449.020 4.089 10 20 IICD COc1cc(Cl)cc(CN(CCn2ccnc2)Cc2ccc(Br)o2)c1O 809753480 UEBVNFSANHASJG-UHFFFAOYSA-N 440.725 4.309 10 20 IICD Cc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 810266629 RZJOOYUASYUMSD-ZIAGYGMSSA-N 440.441 4.483 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813413652 ULXWJSKDCFLKCD-UHFFFAOYSA-N 426.325 4.385 10 20 IICD O=S1(=O)CCCN1c1ccc(CN[C@H](CCc2ccccc2)c2ccccc2O)cc1 815615907 AMWDDKGWRSLQEH-XMMPIXPASA-N 436.577 4.396 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 818460762 IYTQSGIJGMROEX-NJNUXLLUSA-N 432.636 4.234 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4)c(OC)c3)CC2)cc1 872110843 RXFDLMVHPMTJLN-UHFFFAOYSA-N 432.520 4.245 10 20 IICD Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c(C)n1-c1ccccn1 914849180 HUHVHHFGXBELAE-HXUWFJFHSA-N 433.512 4.042 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](c2ccccc2OC)c2nccn2C)cc1 916226937 GPEXZDPUXWKITO-HSZRJFAPSA-N 435.572 4.206 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 918126990 KNNCZFMDCVSFCE-UHFFFAOYSA-N 447.377 4.075 10 20 IICD Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920882462 RSYQGUFTRXNPJK-DLBZAZTESA-N 447.373 4.239 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1116450175 UODGLXYVXROIRH-UHFFFAOYSA-N 435.421 4.217 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cn(C)cc(Br)c2=O)c1 1337815091 SKGKSUDMKCKVKN-UHFFFAOYSA-N 434.721 4.461 10 20 IICD CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 27157555 RCVBGYKKVJZFHA-UHFFFAOYSA-N 427.501 4.265 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1C 110696128 DCLFRBKYSBKDCM-RUZDIDTESA-N 430.596 4.121 10 20 IICD COc1cc(CNCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])cc1OCC(F)(F)F 237098174 UEAKVICODSTOOH-UHFFFAOYSA-N 427.423 4.209 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)Nc4cccc(C)c4)CC3)ccc21 486246720 UHDSENKWTWWGGI-UHFFFAOYSA-N 448.567 4.203 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Br)ccc1O 726624816 AJHSLKSEHIGJSP-UHFFFAOYSA-N 441.272 4.155 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1Cl 726984865 BCJVIALPZOCEPL-IDUWFGFVSA-N 446.916 4.474 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1ccc(Cl)nc1 727491168 GVSGZDDOUJPYAR-MHWRWJLKSA-N 435.933 4.117 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 729039185 LPJPJAVQSPGXHA-CQSZACIVSA-N 439.491 4.408 10 20 IICD CC(C)(c1ccccc1)c1nnc(NC(=O)NCc2ccc(N3CCOCC3)cc2)s1 730120203 DTFNYGCEBVQZBZ-UHFFFAOYSA-N 437.569 4.022 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731015204 SGGURYLOWOKSCO-UHFFFAOYSA-N 426.473 4.286 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 732242384 NJZWEOIAOUHMSX-UHFFFAOYSA-N 436.531 4.233 10 20 IICD O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517847 FHULAPMMDRKUME-QHCPKHFHSA-N 442.519 4.007 10 20 IICD COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1N1CCOC1=O 742712434 DOIFKFJTZFOGKD-UHFFFAOYSA-N 426.473 4.162 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)cc2)C1 751082006 NSLYEWULQJINGC-PXDATVDWSA-N 446.595 4.140 10 20 IICD Cc1cc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 751245181 COQYHVBYNFZLAW-QGZVFWFLSA-N 431.374 4.404 10 20 IICD O=C(NCC1([C@@H](O)c2ccccc2)CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680480 HCKNPCWRCHPZSX-NQIIRXRSSA-N 445.510 4.070 10 20 IICD Cc1cc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752846570 XGMIYDGDNKCGHK-SFHVURJKSA-N 427.499 4.235 10 20 IICD COc1cc(OC)cc([C@H](N[C@H](C)c2cc(Br)ccc2O)c2nccn2C)c1 756393218 QXGYBQMSFPLFIR-XCLFUZPHSA-N 446.345 4.346 10 20 IICD C[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)cc(Cl)c1O 756765749 QXAXXCSJBZGZKP-JBBXEZCESA-N 431.802 4.227 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cnn1-c1ccccn1 764523525 DHBFRBBKYOGRAH-UHFFFAOYSA-N 437.959 4.215 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2cccc(Br)c2O)c1 765764622 MXQWXXMYNHZQBK-UHFFFAOYSA-N 435.318 4.361 10 20 IICD CCCCCOc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 765979590 MBRBIHOSJNPUET-HXUWFJFHSA-N 430.614 4.341 10 20 IICD COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OCc1cccnc1 768209067 YQVHGVZTMBNCSB-UHFFFAOYSA-N 433.552 4.138 10 20 IICD COc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC(F)F 768913421 ZQOIFUHHGVRMJC-HNNXBMFYSA-N 440.874 4.050 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(Cl)cc3Br)SC2=S)CC1 769793308 KDPGMJKMDUKZTF-ZSOIEALJSA-N 431.808 4.398 10 20 IICD CN(c1ccc(CNC(=O)c2cccnc2I)cc1)C1CCCCC1 770481149 LHNBGSKQQPXRNE-UHFFFAOYSA-N 449.336 4.385 10 20 IICD Cc1ccc(NCc2cc(Br)ccc2O)cc1NC(=O)CN1CCCCC1 770541740 VZXDJJSACJJVQC-UHFFFAOYSA-N 432.362 4.500 10 20 IICD C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N2CCCCC2)cc1 772956044 VDHKMWILFDPBGU-OAQYLSRUSA-N 441.641 4.428 10 20 IICD CC(=O)N(c1nc(CN2CCOc3cc(N(C)C)ccc32)cs1)c1ccccc1F 774754601 VJKWQYYZXLURTI-UHFFFAOYSA-N 426.517 4.432 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCc3[nH]c4c(Br)cccc4c3C2)c1O 774854492 VOMQKUDRIZRSHT-UHFFFAOYSA-N 432.274 4.111 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c1 775354061 ZBVPHFRZUJJZQK-UHFFFAOYSA-N 445.317 4.288 10 20 IICD CSc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 780704072 SNWHFLZPDAPVJD-UHFFFAOYSA-N 437.543 4.430 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)cc2)CC1 786256752 KHLCECMZNKJINO-HNNXBMFYSA-N 434.367 4.082 10 20 IICD COc1cc(C)ccc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 788480437 RNFNCWGXQMAWGW-UHFFFAOYSA-N 443.506 4.289 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1 797018985 FWKPHQNOIUZKSJ-NSHDSACASA-N 445.388 4.189 10 20 IICD Cc1cc(C)n(-c2ccc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)cc2F)n1 797739387 MXARSTSNXQRGLE-UHFFFAOYSA-N 446.866 4.106 10 20 IICD CC(C)[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccnc1 797894168 UWNQBYAJFZGMND-YADHBBJMSA-N 440.588 4.269 10 20 IICD COc1ccccc1-c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)C 802676023 YJKISBCJUJNYAH-UHFFFAOYSA-N 435.572 4.083 10 20 IICD CCO[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 802754417 VQXJNVKPLTZXKH-JTHBVZDNSA-N 449.599 4.394 10 20 IICD CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1 806683366 HDMQKGFLXPIPNR-NRFANRHFSA-N 427.545 4.132 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1OCC(F)F 806824950 CLUWGLMLPLAWGE-UHFFFAOYSA-N 439.890 4.484 10 20 IICD CNC(=O)c1cc(Oc2ccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2F)ccn1 810173120 ZLKGSYFFFQJGKG-UHFFFAOYSA-N 446.822 4.252 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1n[nH]c2ccccc12 914532938 VVTDZLODSQXRSS-PTNGSMBKSA-N 428.564 4.245 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cccc1[N+](=O)[O-] 916632201 QSHVCHLZOMIWET-UHFFFAOYSA-N 438.406 4.080 10 20 IICD C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917007180 ZGFROXCIBNIGHE-ZACQAIPSSA-N 449.517 4.027 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(OC(C)C)c(OC)c3)CC2)cc1 918005930 AOPZQOVIVLJEPS-LJQANCHMSA-N 441.572 4.474 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3nc4ccccc4s3)cc2F)C[C@H](C)O1 918209847 JXGRILWASJFBAL-HOTGVXAUSA-N 442.560 4.091 10 20 IICD Cc1nc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)s2)cs1 919789720 AISYCJKRYVZOFY-UHFFFAOYSA-N 428.583 4.016 10 20 IICD COc1cc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OCC(C)C 919789928 AFUSOFSBFPDBAI-LJQANCHMSA-N 441.572 4.127 10 20 IICD C[C@H](COc1ccccc1F)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1318834698 ANGOURIZQJRGBC-HZPDHXFCSA-N 437.462 4.163 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cscn3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1787420336 XDTCHKRRBPHAAJ-UHFFFAOYSA-N 443.912 4.269 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290923 GBGPNSMAZYXCCF-CXAGYDPISA-N 444.919 4.137 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCc2sccc2C1 11646878 SWZUWMVSTSJKES-LJQANCHMSA-N 439.606 4.468 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1F 303334843 KKSOKPLOEWEKLK-UHFFFAOYSA-N 443.563 4.228 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)n(C)c2ccccc12 472803495 MLASPCCUPMEZOO-UHFFFAOYSA-N 427.504 4.321 10 20 IICD Cc1ccc(C2(c3noc(-c4ccc(NC(=O)C5=S=CC=C5)cc4)n3)CCOCC2)cc1 571392081 MEOLUPURJNKSJB-UHFFFAOYSA-N 445.544 4.358 10 20 IICD Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 726259936 JKPHIJBWCVTRFH-SFHVURJKSA-N 445.947 4.073 10 20 IICD O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801226 FEFHBIMTTAUQHQ-KGENOOAVSA-N 434.542 4.450 10 20 IICD COc1ccccc1SC[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 728957658 GNVIDKWBMMOZDW-LJQANCHMSA-N 443.613 4.102 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCn4cccc4[C@@H]3c3ccccc3)CC2)cc1 729610947 KYUMEJTYAJKMOI-VWLOTQADSA-N 430.552 4.280 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 730109519 SLRURUJIHSXHRP-GOSISDBHSA-N 432.565 4.322 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)cc2)C1 730481878 MUVMCQPNNVMHHD-XPGWFJOJSA-N 446.378 4.115 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(N(C)C(C)C)c3)cc2F)CC1 731754858 JJERXYCAOLDTIE-UHFFFAOYSA-N 427.568 4.134 10 20 IICD Cc1cc(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1cccs1 741733293 MGWIVCVMKLGPCF-UHFFFAOYSA-N 437.609 4.366 10 20 IICD CCOC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 741942601 FWNJAPYMCQCGRC-MNDPQUGUSA-N 443.547 4.423 10 20 IICD CN(c1ccc(CNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1)C1CCCCC1 743346834 XBGQOXGUEDUTFL-GOSISDBHSA-N 426.527 4.139 10 20 IICD CCOC(=O)c1c(NC(=O)CC2(CS(C)(=O)=O)CC2)sc(C)c1-c1ccc(C)cc1 747297640 KLYXOFKBHMOLLQ-UHFFFAOYSA-N 449.594 4.362 10 20 IICD S=C(NCc1ccc(Br)cc1)NCc1ccc(N2CCSCC2)cc1 747649823 AFUCPSJRYUZWEI-UHFFFAOYSA-N 436.444 4.167 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)nc1-c1cccc(Cl)c1 749737872 MSAAJZHNUJDZTJ-UHFFFAOYSA-N 438.962 4.121 10 20 IICD Cc1cnc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 751085566 WKVLANYAGCSDNY-UHFFFAOYSA-N 442.507 4.041 10 20 IICD COc1ccc(N2CCN(C(=O)c3csc(-c4c(F)cccc4F)n3)CC2)cc1F 753740141 OHUWABNCEUTLOF-UHFFFAOYSA-N 433.455 4.198 10 20 IICD CC(C)C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1O)C(=O)Nc1nccs1 756782072 MIVRPJJDXZENIU-QMTHXVAHSA-N 430.343 4.454 10 20 IICD C[C@@H](NC(=O)Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(N2CCOCC2)cc1 758072209 CZGFXAGMAQHDCN-CQSZACIVSA-N 427.505 4.064 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3cc(Br)ccc3F)CC2)cc1 758570846 FRAZWZFCEOYGSS-UHFFFAOYSA-N 435.337 4.268 10 20 IICD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCCCSc2nccs2)c1 758600753 ACJGOUUQPXHOJI-UHFFFAOYSA-N 427.617 4.160 10 20 IICD COc1cc(N2CCN(C(=O)c3c(C)[nH]c4ccc(Cl)cc34)CC2)cc(OC)c1OC 760085380 QLUFPNLGKWSRFR-UHFFFAOYSA-N 443.931 4.118 10 20 IICD COc1cc(N2CCN(Cc3cnc(-c4cccs4)s3)CC2)cc(OC)c1OC 761219453 QFSMKNCPPGZFEQ-UHFFFAOYSA-N 431.583 4.220 10 20 IICD Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 764923480 CIWBXGBGKJXQIQ-IRXDYDNUSA-N 434.515 4.135 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OCC(F)(F)F)cc1 765257542 ZATHHPDQDJEWNW-VQIMIIECSA-N 435.490 4.180 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1 765853647 CKIRGMPZUVAPOP-NEPJUHHUSA-N 425.298 4.294 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(F)cc2OC(C)(C)C)C2CC2)cc1 765862260 VPMIBRHBDYRRNQ-UHFFFAOYSA-N 427.520 4.199 10 20 IICD COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cc(-c2ccccc2)ccc1O 770541908 IHRLGHPOWUSXKM-UHFFFAOYSA-N 431.536 4.068 10 20 IICD COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(I)c1OC 771935451 UBDFQTWYVOYQLQ-UHFFFAOYSA-N 440.325 4.006 10 20 IICD C[C@@H](NCCCc1nc(-c2ccncc2)cs1)c1ccc(N2CCOCC2)c(F)c1 772984747 PBGZYYZLXJFQPV-QGZVFWFLSA-N 426.561 4.464 10 20 IICD C[C@@H](NCC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775254187 INSGWMWFWCWKQX-AJTFRIOCSA-N 443.591 4.274 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1C 776744390 SJXTYZAVDMEQKD-UHFFFAOYSA-N 428.539 4.303 10 20 IICD C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1 783915097 ITVIIZHHUGDVJL-PWHSHALESA-N 449.555 4.141 10 20 IICD Cc1cc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)s1 787847266 KPJVCLBTLICJDO-QGZVFWFLSA-N 439.581 4.430 10 20 IICD CCCC(=O)NC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 799994961 VPAWYIGMDRYHPN-KRWDZBQOSA-N 435.012 4.167 10 20 IICD COc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 799994996 WIADWDMROYKOMJ-KSFYIVLOSA-N 431.964 4.118 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCCCSc3nccs3)C2)cc1 802243642 GEELDUUQPKTUHH-KRWDZBQOSA-N 447.630 4.177 10 20 IICD C[C@@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc(N2CCOCC2)cc1 806646653 GDMDLCOTNSFOGJ-QGZVFWFLSA-N 443.519 4.103 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(C(F)(F)F)cc1 807291647 LGUYSFBHMIQTGN-NRFANRHFSA-N 445.485 4.211 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc2c(c1)CCCC2 807932226 UIIKVOYHJYAQJN-UHFFFAOYSA-N 438.568 4.333 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC1 812392754 VOLJCTLYMUOCRV-ZDUSSCGKSA-N 449.374 4.148 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 813684268 MXBURQYLPIPMIS-OCKHKDLRSA-N 442.302 4.181 10 20 IICD COc1ccc(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914046485 MOCVEFDBOBOYTQ-JXAWBTAJSA-N 446.619 4.097 10 20 IICD CCCCN(CC)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914109736 FYJXXVQYPXDQDV-PTNGSMBKSA-N 441.416 4.299 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C2CC2)cc1 914485102 QFMMNOUNQIAOET-UHFFFAOYSA-N 439.515 4.358 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1CCc1ccccc1 918082010 WUZPTUWWQNUMQV-OAQYLSRUSA-N 425.548 4.094 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 918211595 POGRNXVZFAXGHJ-UHFFFAOYSA-N 430.662 4.180 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)cc1 918461341 UJHFGRBIQQOXBU-UHFFFAOYSA-N 443.503 4.272 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Br)cs3)cc2F)C[C@@H](C)O1 921280708 JVJTYOKPVZKVFE-TXEJJXNPSA-N 427.339 4.193 10 20 IICD Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 28606004 XDIXHCIFNVFKHL-UHFFFAOYSA-N 433.847 4.219 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(CNC(=O)c4cccs4)cc3)CC2)cc1 108427233 UJZXJAFYDWLAKZ-UHFFFAOYSA-N 449.576 4.039 10 20 IICD Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 108453985 AIKFMLRQZJNKFX-RTBURBONSA-N 426.532 4.335 10 20 IICD Cc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)n1-c1cccc(Cl)c1 108937865 VRGUTQUBOQGPEX-UHFFFAOYSA-N 430.961 4.289 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)/C=C\c3nc4ccccc4s3)cc2F)C[C@@H](C)O1 208605567 RPCLQAGXIZPESE-YQYKAEFUSA-N 425.529 4.379 10 20 IICD C[C@@H]1CN(c2nc3ccccc3nc2N2CC=C(c3c[nH]c4ncccc34)CC2)C[C@@H](C)O1 484930811 CSQXAKMWVDFHQT-QZTJIDSGSA-N 440.551 4.413 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-c2ccco2)nc1O 726567289 OPFAFMYANOURMY-UHFFFAOYSA-N 429.423 4.047 10 20 IICD COc1ccc(CCCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 727483472 IMPLNHNAGUTFCI-UHFFFAOYSA-N 428.548 4.215 10 20 IICD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 728188567 KWZQVZLHNSBJKX-OAQYLSRUSA-N 430.548 4.198 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 728513605 BAEUJHRFPOKMNV-JOCHJYFZSA-N 449.517 4.060 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 728978334 PFZVSSXTSRFXKR-MNOVXSKESA-N 428.710 4.461 10 20 IICD CC(C)(C)c1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n(C(C)(C)C)n1 732432094 SBGJJPOVGKGLHW-UHFFFAOYSA-N 431.556 4.233 10 20 IICD CCCN(CCc1cccc(F)c1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O 733300460 KHGNBHPHWGXKCD-UHFFFAOYSA-N 428.548 4.021 10 20 IICD CCOC(=O)N1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1c1ccc(C)o1 736547746 FIKSOZSNIKHZOZ-SFTDATJTSA-N 425.529 4.167 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)C3CC3)cc2F)C[C@@H](C)O1 736653071 IMQLQZMNBHHOQD-PNCHPQGNSA-N 425.548 4.260 10 20 IICD Cc1cc(C(=O)NCCCOC[C@H]2CCOC2)c(C)n1-c1ccccc1Br 740844389 XWDNDJXUUIKHOS-QGZVFWFLSA-N 435.362 4.030 10 20 IICD COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(C)C 742801811 SOQJKYPWAOYKHR-QGZVFWFLSA-N 434.483 4.483 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 743180839 AKOBOFQJJDZZOY-UHFFFAOYSA-N 433.574 4.222 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cnn(-c2ncccc2Cl)c1C(F)F 743716489 QARPNPZMMPSBOD-UHFFFAOYSA-N 432.858 4.373 10 20 IICD CCN(CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1cc(Br)ccc1O 743871221 XGPOGTICGAFHCN-ZDUSSCGKSA-N 441.316 4.002 10 20 IICD CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903062 BOZWSTPMNPOWIJ-HNNXBMFYSA-N 425.426 4.377 10 20 IICD Cn1cc(C[C@@H]2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)cn1 746815399 JEBDCJWTODRBKG-FDDCHVKYSA-N 442.523 4.032 10 20 IICD Cc1cc(C(=O)CN2CCN(C3CCOCC3)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1 747843678 CZHPKAJGMVLWLG-UHFFFAOYSA-N 437.628 4.371 10 20 IICD COc1ccc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CCC2)cc1 750724910 IPBCDLCDRKKVCW-UHFFFAOYSA-N 448.485 4.289 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 751086574 ZFABOFHKEKIXIU-XDHUDOTRSA-N 425.548 4.157 10 20 IICD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 754453787 MTYNTOWJRWZDCB-GJZGRUSLSA-N 430.480 4.286 10 20 IICD C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 757624860 ZDUXPRKXNJNFRF-QINHECLXSA-N 425.495 4.405 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 759595974 SNTGFVNPVRWIDX-WXGCRTCVSA-N 429.778 4.354 10 20 IICD CCn1c(/C(Cl)=C/c2cnc(Cl)c(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 760261430 BSPRVTYKIFLQOR-DHDCSXOGSA-N 439.368 4.400 10 20 IICD COCCOc1ccc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 765126741 MQLYAABYBUGWJP-FHWLQOOXSA-N 446.563 4.324 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)c(Br)c1 765242930 IQRKXTTXFAIMRG-YOEHRIQHSA-N 434.353 4.141 10 20 IICD CN(Cc1cc(-c2ccccc2)ccc1O)[C@@H](C(N)=O)c1cccc(Br)c1 768528728 GUYIGMJNHNFKJW-OAQYLSRUSA-N 425.326 4.480 10 20 IICD Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771057423 JCXCYONSMIUERC-IBGZPJMESA-N 425.916 4.403 10 20 IICD O=C(NCc1ccccc1F)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 775181733 WDUBNQMGKIIYPI-UHFFFAOYSA-N 437.490 4.344 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 775258504 CGWVKMWBZDJWCH-CQSZACIVSA-N 441.881 4.485 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C)nn3[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1F 775389433 DXJIGMCPCIYHGA-ABSDTBQOSA-N 427.524 4.054 10 20 IICD CC[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1O 775498369 JSCDIKKBCFZUDP-QGZVFWFLSA-N 437.371 4.037 10 20 IICD CC(C)(C)C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 778130205 FTHFZVDSDUSARM-OAHLLOKOSA-N 448.397 4.467 10 20 IICD COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 778661503 PIHBHLQMJCAVLO-UHFFFAOYSA-N 426.466 4.359 10 20 IICD COC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(OC)c(Cl)c1 779180335 KIBVSECWGSKQKC-OAQYLSRUSA-N 447.919 4.251 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1)c1ccc(N)cc1 783482554 ICTMRJLYJKZPKW-SFHVURJKSA-N 437.503 4.459 10 20 IICD COC(=O)COc1ccc(N(C)Cc2ncc(-c3ccccc3Br)o2)cc1 784560126 VPSCEDQMSZMHAC-UHFFFAOYSA-N 431.286 4.292 10 20 IICD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 785995608 YUVCPFDRJJSTEK-UHFFFAOYSA-N 448.567 4.021 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sc(C4CCCCC4)nc3C)cc2)CC1 786656636 PKRPVMWILUFPOP-UHFFFAOYSA-N 440.613 4.098 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1 791250529 RLAHOXJFXNWJDD-UHFFFAOYSA-N 449.555 4.036 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1CCCCC(F)(F)F 794862285 OSCZKUOJXZJREH-SSZFMOIBSA-N 430.517 4.457 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc1 797821200 HZMZLGSJESOYSZ-UHFFFAOYSA-N 433.332 4.042 10 20 IICD COc1cc(N2CCN(Cc3ccc(N(C)c4ccccc4)nc3)CC2)cc(OC)c1OC 798078251 OVTPSIZPFKUQAV-UHFFFAOYSA-N 448.567 4.198 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCNC4=O)cc3)cc2Cl)C1 800048831 ITIIKUMUUGMRMP-MRXNPFEDSA-N 426.948 4.036 10 20 IICD CN(c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1)C1CCCCC1 806616045 ZNKUHHSKVVKFJM-XLIONFOSSA-N 427.511 4.158 10 20 IICD CC(=O)Nc1cccc2c1CCN(c1nnc(-c3cc(C)n(-c4ccccc4)c3C)n1C)C2 809839805 NVGKLVCGVKOUSW-UHFFFAOYSA-N 440.551 4.411 10 20 IICD CSC1(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCN(C)CC1 811914156 BYOWMEVMEWFZDG-KRWDZBQOSA-N 439.069 4.203 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cc1 814283259 CXGDSNKIWZMZLM-DTHVTWRFSA-N 441.574 4.471 10 20 IICD CC(=O)Nc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 915119288 ZCTYYSIEEKXRCT-JOCHJYFZSA-N 426.586 4.089 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 916497438 JJFNGSJLBTWVDB-HTAPYJJXSA-N 437.540 4.193 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)cc(Br)c2O)c1 1335784408 DFKAIGFRTXKKFQ-QMMMGPOBSA-N 445.107 4.122 10 20 IICD Cc1ccc(O)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c1 1845399044 HXARNFYTSCEGLM-UHFFFAOYSA-N 443.547 4.239 10 20 IICD COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(C(C)C)cc3)CC2)cc1 7027519 FUZUWXFZZHBSEX-UHFFFAOYSA-N 426.630 4.317 10 20 IICD COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCCC(=O)O 16912234 HDIRMJKXIGQVTI-XDHOZWIPSA-N 426.494 4.248 10 20 IICD COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 57548455 YCUDDLGJLOLGBT-UHFFFAOYSA-N 427.854 4.128 10 20 IICD COc1ccc(N2CCCN(Cc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)CC2)cc1 97494610 LUSUQYOHIUDICB-UHFFFAOYSA-N 446.576 4.373 10 20 IICD COc1cccc(CNCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O 237371254 BHIJPMTZJLOGQH-UHFFFAOYSA-N 437.506 4.112 10 20 IICD CCOC(=O)c1sc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)cc1C 534024312 BYEXCMZTKWGPGB-UHFFFAOYSA-N 428.535 4.010 10 20 IICD CN(C)C(=O)C[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccccc1 726241024 SRVAMSNQWVUERR-DEOSSOPVSA-N 436.600 4.474 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 726562977 SSVMLIGOTSKFJF-UHFFFAOYSA-N 441.535 4.136 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OCC(C)C 726627967 STYZRBXEUILKLN-YBFXNURJSA-N 442.562 4.235 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1 726715727 YWTSMMZKWJGYNJ-JOCHJYFZSA-N 439.556 4.228 10 20 IICD CC(C)(C)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726727344 VFRZEOJHUFYDFO-UHFFFAOYSA-N 445.510 4.309 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)nc1-c1ccccc1 727248384 CTFTYLBVGGXPJV-UHFFFAOYSA-N 429.567 4.436 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1 729053657 QXZZFTKOHGEZKY-MWTRTKDXSA-N 430.508 4.437 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)n2)c(F)c1 730074092 SWEYHHKWDQHIHB-NSHDSACASA-N 447.513 4.032 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c1 735198563 MWWWDAVVIWPYEM-UHFFFAOYSA-N 428.554 4.222 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSC3=Nc4ccccc4C3)cc2F)C[C@@H](C)O1 740766470 NLTQTSBAYOPASM-HZPDHXFCSA-N 427.545 4.075 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 741678507 RWRIKLQNSQXAQR-DEOSSOPVSA-N 439.600 4.346 10 20 IICD C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1F 742755455 XHVMULYDSMPJRE-HRAATJIYSA-N 429.536 4.377 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCc4c(cccc4N4CCOC4=O)C3)c2C)cc1 742795917 NFYVVOPNMSYMJQ-UHFFFAOYSA-N 445.519 4.258 10 20 IICD Cn1cc(-c2cccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)cn1 742805117 GRYBLYNMPLLPML-LJQANCHMSA-N 426.467 4.087 10 20 IICD COC(=O)C(C)(C)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 743198291 CUZABMUFCLJKIV-UHFFFAOYSA-N 427.570 4.012 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1N1CCOC1=O 743235497 FQAAUISIQWDYER-UHFFFAOYSA-N 438.528 4.210 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Oc1cccc(F)c1 743672923 KSXNMDVBZBWOHI-HNNXBMFYSA-N 437.462 4.163 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cn(Cc4cccs4)nn3)c2C)c1 745561750 PUXYQDMISNKDDV-UHFFFAOYSA-N 434.521 4.144 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(OC2CCCC2)CC1 745906401 ZXRFCUYHSAVLEL-QGZVFWFLSA-N 437.531 4.390 10 20 IICD CCCN(Cc1ccccc1Br)C(=O)NCc1ccc(N2CCOCC2)cc1 746214263 UAKYCGAWVYEETH-UHFFFAOYSA-N 446.389 4.408 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnn(C)c2C2CC2)c(C)n1-c1ccc(OC(F)F)cc1 747251978 LRSKYNCJTCNFTM-UHFFFAOYSA-N 443.450 4.346 10 20 IICD C[C@H](NC(=O)NCCCSc1nccs1)[C@H](OC1CCOCC1)c1ccccc1 747419980 NUGKAYJWBSHXHE-LPHOPBHVSA-N 435.615 4.250 10 20 IICD Cc1cc(C(=O)OCCCNC(=O)Cc2ccccc2Cl)c(C)n1-c1ccccn1 748497643 DEHDKPINZFYJIT-UHFFFAOYSA-N 425.916 4.048 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)ccc1F 753977720 IPEQECDSFRETKQ-UHFFFAOYSA-N 431.514 4.185 10 20 IICD O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754535296 JHPLPWYQESDBMN-UHFFFAOYSA-N 429.457 4.145 10 20 IICD CC(C)c1cnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1 756082659 IXPQCAOESHPAKG-UHFFFAOYSA-N 426.542 4.093 10 20 IICD C[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)cc(Br)c1O 756581910 DTNLJNXLUPXDSQ-GMXVVIOVSA-N 448.199 4.215 10 20 IICD C[C@@H]1N(Cc2c(O)ccc3ccc(O)c(CN4CCOC(C)(C)[C@@H]4C)c23)CCOC1(C)C 763210215 GLJDHZUOKRJFDI-ROUUACIJSA-N 442.600 4.250 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Oc1cccc(Br)c1 763280000 OYIKSWZGYOZDPM-ZDUSSCGKSA-N 443.297 4.409 10 20 IICD O=C(NCCc1ccc(Br)cc1F)NCc1cccc(Br)c1O 764780636 QYSZHTLLLVNSKI-UHFFFAOYSA-N 446.114 4.098 10 20 IICD CCc1ccc(-c2noc([C@@H](C)NC(=O)NCc3cccc(Br)c3O)n2)cc1 764797945 PEMHJLFFHYLJQP-GFCCVEGCSA-N 445.317 4.328 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)NCc3cccc(Br)c3O)c2)n1 765300024 JTINJCZBPWMCPU-UHFFFAOYSA-N 431.290 4.397 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 765379277 SKMAOULKQIRMOI-BAGYTPMASA-N 447.595 4.320 10 20 IICD Cc1c([C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nnn1-c1ccccc1 765645926 XUHYBVIPTXIJHY-INIZCTEOSA-N 427.499 4.497 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccco3)c3ccccc3OC)CC2)cc1 769096365 SDRFBJQUTMMWFJ-XMMPIXPASA-N 435.524 4.354 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)CC1 770154146 NHHYOPDCCBOMMW-UHFFFAOYSA-N 434.565 4.395 10 20 IICD CCN1CCN(c2cccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)CC1 771272582 MYSWMPXNRGUMOW-UHFFFAOYSA-N 434.540 4.361 10 20 IICD CC(C)[C@@H]1C[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 772496329 SLVUNHJBAADHOK-JFBHYCPVSA-N 438.640 4.049 10 20 IICD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 772675169 ZWLDTZORUALKTR-UHFFFAOYSA-N 443.523 4.240 10 20 IICD CC[C@@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccc(N(C)C)cc1 772962220 FMXSXOPCIPHTCP-HSZRJFAPSA-N 439.600 4.176 10 20 IICD C[C@@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(N(C)C)cc1 775412557 YNLHJGJBRMZSIH-XCLFUZPHSA-N 437.487 4.380 10 20 IICD CC[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(F)cc1F 775451816 ZXFLRJPNOWEXPV-WCJKSRRJSA-N 449.517 4.075 10 20 IICD CC[C@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cc(Cl)ccc1O 775485337 QXPJYXWNSWJTJO-VQTJNVASSA-N 434.964 4.177 10 20 IICD CC[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1cc(Br)ccc1O 775533735 NTPSDLXRPYPAEQ-FQEVSTJZSA-N 446.389 4.415 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1O 779047711 FGUIOFIBFFNHGJ-CQSZACIVSA-N 432.362 4.338 10 20 IICD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 780050997 PXPUURRCJKKMNS-QGZVFWFLSA-N 449.517 4.345 10 20 IICD CCCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1OCC 781044997 AGRDOPYZCIIDIS-UHFFFAOYSA-N 439.556 4.185 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1Cl 783297192 DSLXFGFFZYDHOD-UHFFFAOYSA-N 437.927 4.248 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NCc1ccc2c(c1)OCO2 784504225 CXPRCBMOSGPECO-UHFFFAOYSA-N 433.420 4.010 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)cc1)C1CCCCC1 789409487 SSHIZSADODHGEE-UHFFFAOYSA-N 440.613 4.436 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 791245728 FRNBENCNOFXOFY-UHFFFAOYSA-N 437.540 4.037 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1 792157642 OTSXVCZCFLMINS-SFHVURJKSA-N 435.490 4.179 10 20 IICD O=c1ccccn1C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 800315191 ONVSCKFXNCGRLT-QFIPXVFZSA-N 432.524 4.278 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2Cl)C1 800544022 SWQAPGCSGRHIRP-APWZRJJASA-N 431.968 4.274 10 20 IICD Cc1cccc2[nH]cc(CCNC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c12 804621966 MEGUALQEMUJBDL-UHFFFAOYSA-N 433.552 4.202 10 20 IICD COc1cccc(Cl)c1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 806267575 DMWYLQKIXDJFEP-UHFFFAOYSA-N 430.932 4.032 10 20 IICD CC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1 807444115 FKUIAYBRGWWXPH-OAQYLSRUSA-N 427.545 4.085 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 810322428 KJFMNOSNFKQCLJ-NSHDSACASA-N 438.381 4.194 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C 813686312 YNFPGPLXJYHBGG-UHFFFAOYSA-N 437.352 4.305 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1)[C@H]1C[C@H]1C 815594846 ZNMCFRZOLKOHPX-OSPHWJPCSA-N 448.567 4.192 10 20 IICD O=C(NCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915719630 MRUQLVBSBKMYHB-UHFFFAOYSA-N 430.464 4.171 10 20 IICD CC(C)(C)c1ccc(SCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917833587 BQWRLWQBLITGSL-IBGZPJMESA-N 439.625 4.094 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 918141028 QSIVBNIPSAGIJP-QZTJIDSGSA-N 438.543 4.207 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3OC(F)F)cc2F)C[C@H](C)O1 918200177 YZTMPWMGVKGUET-GJZGRUSLSA-N 437.462 4.040 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 918205457 NDXFKJPRZATUMG-SFTDATJTSA-N 438.616 4.141 10 20 IICD COc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918215417 GLCPVWHCRQYCJV-GJZGRUSLSA-N 435.927 4.101 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)cc1 919923385 DRFKRXFZZGYOMO-UHFFFAOYSA-N 439.600 4.397 10 20 IICD CCN(CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920920303 LQUSUQVYPWWPNC-FQEVSTJZSA-N 444.645 4.199 10 20 IICD O=C(COC(=O)c1cccc(N2CCNC2=O)c1)Nc1ccc(N=Nc2ccccc2)cc1 1318786275 FZGWKCFAHIPKCX-UHFFFAOYSA-N 443.463 4.427 10 20 IICD Cc1cc(-c2nnc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccccc1 1322150868 BFRLRUSANADKQF-UHFFFAOYSA-N 431.452 4.025 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1nc(Br)ccc1Br 1342951918 OPPOLONSPZVDBC-UHFFFAOYSA-N 432.459 4.049 10 20 IICD CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)CCCC1 1804989978 WECWXCHMIJLHKC-UHFFFAOYSA-N 434.964 4.176 10 20 IICD CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 15571646 ILJNBHMKNITIFA-UHFFFAOYSA-N 439.600 4.175 10 20 IICD Cc1cc(Br)ccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 108288392 DACKTTJJUJIQCR-GASCZTMLSA-N 435.337 4.440 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)c1ccccc1 108809804 COGJPBKBXFYZFJ-UHFFFAOYSA-N 429.520 4.014 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)c2C)cc1 217031728 GXPFXIUFIPHEOI-UHFFFAOYSA-N 447.535 4.299 10 20 IICD O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 302949716 DMASBRMRUFJSCP-UHFFFAOYSA-N 448.538 4.073 10 20 IICD Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)oc1C 303374550 WCKMNJYYYMYPGH-UHFFFAOYSA-N 426.948 4.310 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)ccc21 677839191 RDJSNQXEKFLYFN-UHFFFAOYSA-N 435.568 4.114 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H](c2ccccc2)CC1 727601738 UYZASERWXCLCDD-OAQYLSRUSA-N 425.548 4.266 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)ccc21 728458821 KMIIIJZEEZOQQS-UHFFFAOYSA-N 436.480 4.153 10 20 IICD Cc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 729496608 IZVFFHMWBMFMBY-NRFANRHFSA-N 433.474 4.337 10 20 IICD CCN(CC)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 729531258 IHMMGSPVXSGXBF-JOCHJYFZSA-N 431.527 4.456 10 20 IICD COC(=O)C1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 730223644 CIUVADRPPHCTAK-UHFFFAOYSA-N 433.346 4.318 10 20 IICD CCn1nc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)ccc1=O 731962093 DLOFQTAQPMTUKR-UHFFFAOYSA-N 433.537 4.355 10 20 IICD CC(C)C[C@@H](C)Oc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 732243375 OMKLGOMNXWXAJY-WOJBJXKFSA-N 440.588 4.292 10 20 IICD COc1cccc([C@@H](O)CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 732295932 KEGUDTIHTJLKAS-NRFANRHFSA-N 443.341 4.329 10 20 IICD O=C(NCCCSc1nccs1)c1ccccc1CS(=O)(=O)c1ccccc1 733972415 FWFRJQDVSHDOGM-UHFFFAOYSA-N 432.592 4.029 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1F 734529710 PSCQWKAVAXZFPW-UHFFFAOYSA-N 431.899 4.375 10 20 IICD COc1ccc([C@H]2[C@@H](COC(=O)c3cc(C)n(-c4ccccn4)c3C)CCC(=O)N2C)cc1 735777868 LAOXTVAHJJGLAA-NLFFAJNJSA-N 447.535 4.264 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 736402466 HHLYPEPBODNHKE-IVZQSRNASA-N 449.954 4.016 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 736652594 BNXBDMOVBIXPAF-OPYAIIAOSA-N 443.538 4.353 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cccc3c2ccn3C)NC(=O)OC(C)(C)C)cc1 742751474 UTWRIJAYBQZINF-NRFANRHFSA-N 436.556 4.240 10 20 IICD CC(=O)Nc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F 743087983 VYCZWHNJPPHONQ-HNNXBMFYSA-N 436.434 4.176 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@]12CCCc1ccccc12 743313601 WHDRZTRPZJMBAW-UPVQGACJSA-N 444.497 4.452 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 743339648 UXRTUJGJDCIENC-FQEVSTJZSA-N 425.916 4.361 10 20 IICD FC(F)(F)c1cnc(SCCNCc2ccc(N3CCOCC3)cc2)c(Cl)c1 743763315 BNFCFXTZAUHUPR-UHFFFAOYSA-N 431.911 4.472 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCN(c2ccc(C)cn2)CC1 743808714 CGHUQQZZNDIUCS-UHFFFAOYSA-N 432.362 4.123 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 743809521 YPXDVJQHUWSMQL-UHFFFAOYSA-N 448.317 4.325 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)cc1 745846264 FYMWALWTOZVGIX-NRFANRHFSA-N 440.975 4.276 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Br)c(Cl)c1 746151285 XREDXVLQLNQMEF-UHFFFAOYSA-N 442.716 4.400 10 20 IICD O=C(NCc1ccccc1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 748345941 SCZIEZLIIBMGKC-UHFFFAOYSA-N 425.282 4.337 10 20 IICD O=C1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1c1cccc(Br)c1 748358026 NDCOXBZNGFHKQA-VGOFMYFVSA-N 437.296 4.469 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)ccc21 748682190 SNRVLPGTRJZCPV-UHFFFAOYSA-N 449.504 4.188 10 20 IICD CCOc1ccc(-c2noc(COC(=O)c3csc(Cc4ccc(N)cc4)n3)n2)cc1 751931434 QDLHATDIVMJQNX-UHFFFAOYSA-N 436.493 4.122 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1F 752727869 YNWRRGGZGOFFCE-UHFFFAOYSA-N 429.536 4.242 10 20 IICD C[C@@H](NC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(N2CCOCC2)cc1 753028513 XBGWTJSRRNNKBP-GFCCVEGCSA-N 440.288 4.447 10 20 IICD COc1ccc(N2CCN(Cc3csc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1F 753857465 MGCOUFLXAUYRTA-UHFFFAOYSA-N 443.544 4.297 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2ccncn2)c(C)n1-c1ccc(OC(F)F)cc1 755650277 IRNPTTNBFDFLTH-MRXNPFEDSA-N 443.450 4.233 10 20 IICD CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 757272699 CWVSCVVNGXNPDT-NBGIEHNGSA-N 430.548 4.272 10 20 IICD Cc1cc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)ccc1F 759286296 ASSMKEUPDKKQMV-DEOSSOPVSA-N 425.548 4.293 10 20 IICD O=C(NCCCSc1nccs1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 759601407 JIELLXASPNGLMW-LJQANCHMSA-N 440.594 4.175 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(CN2CCCCCC2)c1 761185865 YIOPYNGJDMCZAM-UHFFFAOYSA-N 441.959 4.386 10 20 IICD C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 763562304 ONPIKWYAPMSYML-SFHVURJKSA-N 431.577 4.207 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c(N)c(Cl)c3)cc2F)C[C@@H](C)O1 763937582 KENMLACORNFEAA-TXEJJXNPSA-N 426.319 4.258 10 20 IICD Cc1cc2ccccc2nc1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 768523416 UHMWUOHNPIDJMH-UHFFFAOYSA-N 428.515 4.411 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)cc3)SC2=S)c1 771512384 DEZHHIRIHGMULB-RCCKNPSSSA-N 439.606 4.243 10 20 IICD C[C@H](CC(=O)c1ccco1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 771565997 RZCQJIFGVWEZKD-LVLBFHFTSA-N 448.591 4.100 10 20 IICD CN1CCC[C@@H](N2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)C1 772697520 NUPYVCMXCBPDQP-JOCHJYFZSA-N 434.588 4.020 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 775527187 NGUYAZNCQCIRTA-UHFFFAOYSA-N 442.972 4.017 10 20 IICD Oc1c(Cl)cccc1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 776021152 KOSGNECVUZXABQ-UHFFFAOYSA-N 426.923 4.196 10 20 IICD C[C@H](NCc1cc2c(cc1Br)OCCCO2)c1ccc(N2CCOCC2)cc1 777723129 YJFBLARGLMUXIG-INIZCTEOSA-N 447.373 4.298 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 779150710 XEYKUUXIGQAPRE-UHFFFAOYSA-N 438.478 4.372 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 780329131 YHUUCBQSEVUHJK-RUZDIDTESA-N 445.563 4.368 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ccc(Br)s3)C3CC3)cc2)C1 784040500 GBOXDEMLWHVOKX-UZLBHIALSA-N 448.430 4.453 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)Nc1ccc2nc(O)[nH]c2c1 784491493 TUNDGQXSYFJVNE-UHFFFAOYSA-N 431.408 4.185 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 785985591 NZELWRCVASSFQA-UHFFFAOYSA-N 449.938 4.099 10 20 IICD CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 799025115 KREOOIRIJWBOOZ-HXUWFJFHSA-N 436.961 4.421 10 20 IICD O=C(NCCCc1c[nH]c2ccc(F)cc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 800745530 WHNSVLLVSBNPBH-FQEVSTJZSA-N 425.504 4.336 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccc(N(C)C)cc1 803677259 KOHUEHMKXSMODZ-IBGZPJMESA-N 436.600 4.015 10 20 IICD COc1ccc([C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1O 810233635 NEXRTQFRCUVCSC-JXFKEZNVSA-N 429.561 4.383 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CCc3nnn(C)c3C2)sc(C)c1-c1ccc(C)cc1 812836355 ZTBPHJXRFNONPA-MRXNPFEDSA-N 438.553 4.081 10 20 IICD COC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2OC)o1 814284178 FFGQRBJVRHNGGS-ZDLGFXPLSA-N 445.518 4.017 10 20 IICD O=C(CCc1cc(C(F)(F)F)ccc1Br)NCCc1ccc(O)c(O)c1 815833869 IDQCVQWBTUPVBT-UHFFFAOYSA-N 432.236 4.171 10 20 IICD O=C(NCCc1ccc(Br)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916235785 URIUEDZSDLPYFF-HNNXBMFYSA-N 439.375 4.150 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Br)ccc3F)cc2F)C[C@@H](C)O1 917711215 RGUYHQDFRGUHLY-BETUJISGSA-N 439.300 4.271 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(N4CCOCC4)s3)c2C)cc1 920307949 PWKPZRRJAGLMFD-UHFFFAOYSA-N 428.583 4.066 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920924724 DTPXCAUSCOKWSB-IBGZPJMESA-N 429.520 4.006 10 20 IICD C[C@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 1337858772 LXDWOBGUWCVUOJ-HNNXBMFYSA-N 435.387 4.255 10 20 IICD O=C1N[C@@H](Cc2ccccc2Cl)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1354216889 TZMBBAAEMYUPHA-LPHOPBHVSA-N 449.885 4.073 10 20 IICD CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790776501 FKBHIZAZBSBZLQ-AWEZNQCLSA-N 446.931 4.312 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)C3CC3)[C@H]2c2cccnc2)cc1 1813716621 DPQYUTPCIBNSPJ-ILBGXUMGSA-N 442.563 4.219 10 20 IICD CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 445647440 FUFASHYXWVZPMF-UHFFFAOYSA-N 443.532 4.474 10 20 IICD CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 726097611 MHYFWYMXMPPQSG-UHFFFAOYSA-N 430.593 4.314 10 20 IICD CN(CCCNC(=S)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 726493836 MTXDTBQSYASIBC-UHFFFAOYSA-N 448.583 4.247 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 731163714 UPXROWRUZRZSRO-UHFFFAOYSA-N 443.498 4.296 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1SCCC(N)=O 731756693 VCLVHDUKKAHXEF-UHFFFAOYSA-N 426.586 4.308 10 20 IICD CC(C)n1cc([C@H](C)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 732748525 MOQBYYDSZKBNCS-FBJMNJBLSA-N 448.639 4.384 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 732896192 LQRGYTYYXSPQQX-OAQYLSRUSA-N 433.512 4.044 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 734695686 ZQXXCQJTZLKEAF-QGZVFWFLSA-N 435.499 4.287 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)c2C)cc1C 739935584 ACQGIGBWENKHRB-UHFFFAOYSA-N 431.462 4.020 10 20 IICD Cn1cc(-c2cccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)cn1 741562096 JEKCVWSPYJJPHN-UHFFFAOYSA-N 426.467 4.087 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)c(Br)c3)cc2)CC1 743905900 NZUXFICJDYOIDZ-UHFFFAOYSA-N 448.336 4.079 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2)cc1 743955490 KCJFFOKANGNFNO-UHFFFAOYSA-N 444.531 4.413 10 20 IICD NS(=O)(=O)c1ccc(Nc2ccc(NCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 745436652 QEZGBJOPKXOBTG-UHFFFAOYSA-N 432.889 4.251 10 20 IICD CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N(CC)CC)c(F)c3)ccc2NC1=O 745933159 UFZSEDFUBSNMDU-QVKFZJNVSA-N 442.535 4.342 10 20 IICD Cc1ccccc1C(C)(C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 751149923 QTDYNLULLJLVSV-UHFFFAOYSA-N 442.471 4.386 10 20 IICD CC(C)CNC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1Cl 753942304 COAACSVGRMIDBO-UHFFFAOYSA-N 426.995 4.486 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc3cccc(Cl)c3[nH]1)c2[N+](=O)[O-] 755482213 OWBLIQHOIDOTOO-UHFFFAOYSA-N 446.806 4.152 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1 756455562 DGUCLVOQSHYSTM-GHMZBOCLSA-N 447.782 4.128 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)C[C@H](O)c1ccsc1 757405992 PPIFMSRYYQBGDR-DEOSSOPVSA-N 437.609 4.008 10 20 IICD COc1cc(Cl)cc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)c1O 761197679 BIOXFFCVMAYJKG-CYBMUJFWSA-N 425.754 4.433 10 20 IICD Cc1cc(Cc2nc(-c3ccc(C(=O)N(C)C)nc3)no2)c(C)n1-c1ccc(Cl)cc1 762234625 KCZAEAPJPLPHKT-UHFFFAOYSA-N 435.915 4.485 10 20 IICD CN(C)c1ccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1F 763505959 CEYSEADUWAWDOR-UHFFFAOYSA-N 433.575 4.264 10 20 IICD C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1Cl 765250323 KVOFMRWIKJOUCG-GOSISDBHSA-N 427.976 4.150 10 20 IICD Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 765375854 KMUMYMLTVCPDSD-GOSISDBHSA-N 440.588 4.102 10 20 IICD Cc1cc(Br)cc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)oc12 768338273 MPFJSVRHGIQHMB-UHFFFAOYSA-N 429.314 4.270 10 20 IICD C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C 769424094 QZUXVMLXPCDVTC-HKUYNNGSSA-N 432.565 4.320 10 20 IICD COc1ccc(SCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 769495898 QLEFLGQNKGJHGB-SFHVURJKSA-N 431.554 4.099 10 20 IICD COC(=O)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(OC)c(O)c1 770686334 DRFLWQAMFHMTRT-HSZRJFAPSA-N 448.479 4.259 10 20 IICD O=C(Cc1csc(-c2ccoc2)n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771067226 UGPUNIQKYCAUOK-KRWDZBQOSA-N 431.945 4.085 10 20 IICD COc1cc(Br)cc([C@@H]2Nc3ccc(Br)cc3C(=O)N2C)c1O 771098555 RBYGYKGJTPEFNV-OAHLLOKOSA-N 442.107 4.122 10 20 IICD CCN1C/C(=C/c2ccc(N3CCN(C)CC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1 771521031 NZFPBCCYLDMWNG-SILNSSARSA-N 442.563 4.061 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 773764269 ZPYDQNNRPRFEGV-LLVKDONJSA-N 437.279 4.333 10 20 IICD C[C@H](NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)c(F)cc1O 774397395 RYIGJIFSNZOGCN-ONGXEEELSA-N 436.243 4.213 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1 775372618 DRGWVEOXHIJQFL-OAHLLOKOSA-N 437.471 4.082 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784114158 XJJVTXZQRYYLNI-UHFFFAOYSA-N 449.580 4.338 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(C)c4)CCCCC3)cc2)CC1 786657223 VOCMZRSSSMPCAW-UHFFFAOYSA-N 433.596 4.182 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCC4(CCCCC4)CC3)cc2)C1 786712088 IXZYCGJUWCDDDD-HXUWFJFHSA-N 426.605 4.081 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 791248897 AJVNJBAOLAOPKT-UHFFFAOYSA-N 433.892 4.250 10 20 IICD CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)NC(=S)N1 794782896 YEJBXKZGSJKIOU-GOSISDBHSA-N 434.487 4.203 10 20 IICD C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 795593120 VTDLDAVTGJERAI-IBGZPJMESA-N 429.520 4.267 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](CC)c2cc(Br)ccc2O)s1 797139556 HFLNVBSLVZZVBD-SUNKGSAMSA-N 441.395 4.273 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cc(C)c(Cl)c(C)c3)CC2)cc(OC)c1OC 799517218 POVNQZIAIOCYCZ-UHFFFAOYSA-N 433.936 4.337 10 20 IICD Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2)n1 799995377 HODUOCKNJSGPEP-CRAIPNDOSA-N 431.968 4.357 10 20 IICD CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1 800727671 LNQNADXARXSMRS-HXUWFJFHSA-N 434.588 4.022 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)C2CC2)cc1 800762407 JAPSVYUBRBIRDR-DEOSSOPVSA-N 430.552 4.030 10 20 IICD Cc1cc(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 804395875 YGHLNWLYKYBQOG-LPHOPBHVSA-N 428.882 4.309 10 20 IICD CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(OC)c(OC)c1 807446649 RICPPEORXWPUHM-UXHICEINSA-N 428.529 4.251 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 808355369 YECLZXHZVGCINW-HXUWFJFHSA-N 444.579 4.429 10 20 IICD CC(=O)NCc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 828597934 RRLVOWYVBYTXIV-JOCHJYFZSA-N 449.576 4.340 10 20 IICD Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)n1-c1ccc(Cl)cc1 918084078 WDPUJHXZHXBPNT-UHFFFAOYSA-N 439.903 4.013 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CCCC3)cc2)C1 918123253 RTWLXJSSCQVCKA-VWNXMTODSA-N 434.584 4.119 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 918205455 NDXFKJPRZATUMG-NHCUHLMSSA-N 438.616 4.141 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1cccc(Br)c1 1116820392 BPYGVZQPJLMGNH-GOSISDBHSA-N 449.389 4.012 10 20 IICD O=C(NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1)c1cc(O)nc(O)c1 1786244255 QGCJYUTZKXZLIC-UHFFFAOYSA-N 445.466 4.066 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3CC3)[C@@H]2c2cccnc2)cc1 1811272648 LIPMHUMRDVHZMB-UKILVPOCSA-N 442.563 4.219 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1cccc3cccnc13)c2[N+](=O)[O-] 11148943 BRDSIJLTIDNELQ-UHFFFAOYSA-N 438.395 4.275 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)cc1 303435748 GVNZSXDTDLYRTB-UHFFFAOYSA-N 447.564 4.164 10 20 IICD Cc1c(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)n(C)c2ccccc12 471240714 BJNUFVQBYSJQSF-MHZLTWQESA-N 447.398 4.453 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)ccc21 484668859 LZQDADJDCWRCMF-SFHVURJKSA-N 439.600 4.015 10 20 IICD CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 725863589 GNGNHAXHILESHE-IYBDPMFKSA-N 435.490 4.449 10 20 IICD COc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc2c1O[C@H](C)C2 726565101 AMWPJKHPHPZFFZ-CQSZACIVSA-N 432.467 4.019 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 727242368 ZXSZNKNSJFWYNP-UHFFFAOYSA-N 433.511 4.399 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(F)cc2Cl)nc1-c1ccccc1 727250462 LAIPFYKIVFQURS-UHFFFAOYSA-N 440.905 4.119 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(Cl)nc3Cl)cc2F)C[C@@H](C)O1 727768082 SDGNKQUWOQTOON-PHIMTYICSA-N 430.282 4.210 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)CN(Cc3ccco3)Cc3ccccc3O)cc2)C[C@@H](C)O1 731844640 LTTKBYDAZRLPEV-WOJBJXKFSA-N 449.551 4.240 10 20 IICD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731857481 DFISMAFFLRJWTG-IBGZPJMESA-N 441.915 4.236 10 20 IICD CC(C)c1cc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)on1 733945314 VGXOYOWCMZCCCO-MHWRWJLKSA-N 435.596 4.157 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C 735371136 VGTIATNTKBCBGO-UHFFFAOYSA-N 444.601 4.315 10 20 IICD COc1ccccc1-c1noc([C@@H](C)NCc2cc(Br)cc(OC)c2O)n1 742390496 ITRWPOJXRJQRID-LLVKDONJSA-N 434.290 4.073 10 20 IICD Cc1cc(C(=O)CSCc2csc(CS(C)(=O)=O)n2)c(C)n1-c1ccccc1 742971311 PNXYSRMSBICEMX-UHFFFAOYSA-N 434.608 4.211 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 743086907 DPNZETVSCZZYIX-UHFFFAOYSA-N 436.306 4.176 10 20 IICD COc1cc(NC(=O)CCN(Cc2ccccc2O)C[C@H]2CCCO2)c(OC)cc1Cl 744401254 BSTWXOZSUHWQAW-QGZVFWFLSA-N 448.947 4.073 10 20 IICD COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OCCC(C)C 747900695 ZYSYKNQUDFZHBE-XSFVSMFZSA-N 434.627 4.416 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)c1cc(OC)ccc1O 750629429 MRUUBMGPPWEFPO-MRXNPFEDSA-N 441.528 4.308 10 20 IICD Cc1cc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752850712 OULRJQMKPACAIF-FQEVSTJZSA-N 435.572 4.004 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 753289627 OEBNYIJVDQMJLB-IBGZPJMESA-N 425.426 4.107 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)c(Br)cc1F)c1ccc(N2CCOCC2)cc1 753321040 HZMODQMNDZJNND-GFCCVEGCSA-N 440.288 4.447 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1C1CC1 762985137 ZVWBXVZPDGOHTO-QGZVFWFLSA-N 442.583 4.334 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1ccc2c(c1)COC2 764533214 JTGIYRFJVRNRJF-UHFFFAOYSA-N 437.340 4.404 10 20 IICD CCCc1c(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cnn1-c1ccc(C)cc1 764674181 WBCMBBHTLPUGER-UHFFFAOYSA-N 434.540 4.216 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)cc1 766355639 NFAPKOYDDSUSJU-UHFFFAOYSA-N 426.561 4.225 10 20 IICD Cc1nn(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1-c1ccccc1 767781380 MBMFDYHFAPCUIL-XMMPIXPASA-N 432.568 4.132 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2cccc(Cl)c2Cl)nn1 768209105 ZNXVWJDDVFAZGW-UHFFFAOYSA-N 432.355 4.043 10 20 IICD CC(C)(C)OC(=O)NCc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)ccn1 768253847 MTSHJAINHHEHHC-UHFFFAOYSA-N 437.496 4.248 10 20 IICD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1cc2c(cc1O)OC[C@H]2O 768442494 RCLHLLJCMBVNHW-OAQYLSRUSA-N 441.549 4.489 10 20 IICD C[C@H](NCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc(N2CCOCC2)cc1 775253652 AMHABNCTAZWENZ-UQBPGWFLSA-N 435.593 4.141 10 20 IICD C[C@@H]1CN(c2ccc(CNC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1 778076079 NFOSPZMYNWRUEF-LVNQGSGBSA-N 447.595 4.459 10 20 IICD CCOC(=O)c1c(NC(=O)CO[C@H](C)Cc2ncc[nH]2)sc(C)c1-c1ccccc1 782915960 SRBUTDYRWJGNIY-CQSZACIVSA-N 427.526 4.210 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784108672 JRYIVPFTQACGOJ-UHFFFAOYSA-N 436.556 4.334 10 20 IICD OC1CCN(c2ccc(CNCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)cc2F)CC1 785437854 ZVOMCKJOGKAGPD-UHFFFAOYSA-N 448.464 4.486 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC(Nc3cccc(Br)c3)CC2)c1O 789768910 IVIMNUGZVXLLKO-UHFFFAOYSA-N 436.306 4.148 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(OC(F)F)cc1 791246015 JLSQGPUAEUJQLH-UHFFFAOYSA-N 434.483 4.219 10 20 IICD COc1ccc(CNC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(O)c1 793044722 PAVAXSWNPMHNSX-UHFFFAOYSA-N 438.355 4.171 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1ccc(Cl)cc1Br 798438306 YWZLPDYAGHCHPA-UHFFFAOYSA-N 427.798 4.020 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 799636703 VYYZOJYNYBZSMB-UHFFFAOYSA-N 427.960 4.028 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2Cl)C1 799994845 GWLZCPVOAKJDBQ-QZTJIDSGSA-N 435.996 4.056 10 20 IICD CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800571614 LGVZCIRELDQSQT-MZNJEOGPSA-N 439.987 4.166 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCOCC4)C3)cc2Cl)C1 800711679 KNRMQQPMGVGVAQ-PKOBYXMFSA-N 435.996 4.104 10 20 IICD CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801886419 BVBHYCQJXRZJDO-UHFFFAOYSA-N 445.926 4.101 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 806054389 STPHEFOAYYPCFC-UHFFFAOYSA-N 443.416 4.162 10 20 IICD CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 806458432 YFGAKXPKKVGOAD-OAQYLSRUSA-N 429.536 4.088 10 20 IICD COc1cccc(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O 806763749 XVYXTMFJSMDJHC-HXUWFJFHSA-N 428.529 4.309 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 806846581 TWPUIWMUZNJLDN-UHFFFAOYSA-N 428.583 4.233 10 20 IICD Cc1cc(CCNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1 807020123 GLHQTISLOISEKU-UHFFFAOYSA-N 444.579 4.241 10 20 IICD CN(Cc1ccccc1O)C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 807600787 QDYTVIBICKECLL-UHFFFAOYSA-N 425.529 4.422 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4cccnc4)cc3)cc2)CC1 808924635 QTQBUZMCSZLRRV-UHFFFAOYSA-N 444.535 4.365 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](CC(C)C)c1ccccc1OC 808967615 BYPJPCMVGWNMKI-QFIPXVFZSA-N 425.573 4.013 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(CC(F)F)CC2)cc1 857450121 OVGPEFZBGSXIMD-UHFFFAOYSA-N 431.527 4.272 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1OCc1cscn1 917387154 RNDWTXCISBIVIU-UHFFFAOYSA-N 425.579 4.205 10 20 IICD COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccccc1O 920192310 HJNBSVBMNNHJHL-UHFFFAOYSA-N 438.455 4.238 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c1 1321335341 VFNOXESPKXTSBL-UHFFFAOYSA-N 447.926 4.302 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2O)C3)cc1 1800512844 AVHPWMWNVCRNKS-UADZTWIMSA-N 443.547 4.365 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 18489510 FNIPFDMUWAFTKF-UHFFFAOYSA-N 433.537 4.002 10 20 IICD C[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)c1ccc(N2CCOCC2)cc1 109179737 BUVZNWMGZFSXKJ-INIZCTEOSA-N 429.358 4.195 10 20 IICD O=S(=O)(c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1)C(F)F 301456826 HTGMIPCIVZTPRD-AWEZNQCLSA-N 432.439 4.365 10 20 IICD Cc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCC3)c(F)c1 730486401 MLWHJEXLSRXKLP-GOSISDBHSA-N 448.542 4.136 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1 730593006 FLHWFZYPNXYEDI-FXBPSFAMSA-N 442.606 4.440 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 733133038 GJINECBBOQHXCA-CALCHBBNSA-N 441.547 4.354 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 734424368 CCZDBRMMPDWOTP-RBBKRZOGSA-N 447.501 4.340 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1C[C@H]1Cc1ccccc1 741625952 BIDMSOGQPSZADQ-QVAUAOJNSA-N 442.631 4.477 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1 743045917 FUDVQWHBJWDQBW-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COCCOc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743091088 YYQBBMBINYXLCZ-KRWDZBQOSA-N 435.471 4.104 10 20 IICD O=C(Nc1ccccc1-n1cccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743098267 OHHOBANQVZYPFN-INIZCTEOSA-N 427.455 4.264 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3cc(Cl)ccc3Br)SC2=S)CC1 743281943 HSKQHCIEKXXBJB-ZROIWOOFSA-N 431.808 4.398 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@H]1CCOc2ccccc21 743283821 FXYOXLVGZGTBCT-SLOMDMAXSA-N 438.574 4.248 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 743889684 SAPBKNMBAVTEFC-UHFFFAOYSA-N 427.520 4.200 10 20 IICD CN(CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1ccc(F)cc1 748992533 PJROQHJJTIWVRT-UHFFFAOYSA-N 433.487 4.428 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 751392789 OOUXQUYXOXWMTN-UHFFFAOYSA-N 445.288 4.107 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 755492899 LSOFEALBOXUFTC-NSHDSACASA-N 425.254 4.354 10 20 IICD CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cc12 762579401 QIXIYRULAWEZSC-UHFFFAOYSA-N 426.932 4.424 10 20 IICD C[C@@H](NC(=O)NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(N2CCOCC2)cc1 765668909 JJHMPNQHGSEMGT-MRXNPFEDSA-N 431.939 4.408 10 20 IICD C[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 768713926 UFXMRHNOUCSHLG-LJQANCHMSA-N 441.547 4.114 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 769024648 QGZBGAHGSHPENS-DNQXCXABSA-N 447.608 4.164 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 769529470 BUIZVJJSRVHZOT-UHFFFAOYSA-N 442.581 4.214 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1 770844536 QTYRAOACPQJJFI-YKSBVNFPSA-N 432.524 4.382 10 20 IICD CCC(=O)c1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 771483154 ZFOSDCZVKBVHRQ-UHFFFAOYSA-N 428.400 4.215 10 20 IICD C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc(Cl)c(Cl)cc1O 774250149 FBSMFKNTBPHPMQ-OAHLLOKOSA-N 436.383 4.375 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccccc3Oc3ccccc3)nc12 775331761 KZFAXZIRDOCSSN-INIZCTEOSA-N 432.480 4.255 10 20 IICD CC[C@H](Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1cc(Br)ccc1O 775543636 BHWFDORJTDKMPZ-AWEZNQCLSA-N 429.336 4.098 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCO[C@@H](C)C2)sc(C)c1-c1ccccc1 776407302 DEQKFIKZXXGVPT-YOEHRIQHSA-N 445.537 4.197 10 20 IICD C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 776814075 BCRHJDKDLWBKTJ-LJQANCHMSA-N 425.548 4.390 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CC3(c4ccccc4)CC3)cc2F)C[C@H](C)O1 780311204 GQPKCBVOFWQBCO-OALUTQOASA-N 425.548 4.313 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(N)cc1 783483248 PVIKURBJFBQFQV-QGZVFWFLSA-N 425.492 4.392 10 20 IICD Cc1ccc(Br)cc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 784076054 YAQFQSLUZKHAPV-INIZCTEOSA-N 432.362 4.155 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@H](C)C[S@@](C)=O 784516315 IRMOPRWHQRHHAF-CDSCBRKXSA-N 441.519 4.248 10 20 IICD Cc1ccc(Br)cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 784645044 SCBYJYMTQXEXBI-IBGZPJMESA-N 433.346 4.354 10 20 IICD CCC(CC)[C@H](NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 788234825 ODSARQCRHJJYQX-DEOSSOPVSA-N 437.584 4.074 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(Br)c1 794685120 DEDKAWXTCGUDEI-ZROIWOOFSA-N 444.372 4.304 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 795552221 YEQRTKICEUNGID-UHFFFAOYSA-N 426.466 4.044 10 20 IICD CCC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800637331 WPUGOCDYFQTBOJ-INIZCTEOSA-N 441.959 4.424 10 20 IICD CC[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cccs1 802696718 QCDCRQZAUQCDCY-GOSISDBHSA-N 425.602 4.374 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804332545 LTGNQWLTPGVORA-MGPUTAFESA-N 435.490 4.462 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(Br)c1 812561456 OBGFLPZYWGLKRN-UHFFFAOYSA-N 437.340 4.308 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc3cc(C)nn3c2C)cc1 818895451 RSTGASSGZITIOX-UHFFFAOYSA-N 429.524 4.268 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(Cl)c1O 915852027 AXWHQGWGJMSQDU-GXDHUFHOSA-N 429.947 4.291 10 20 IICD CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1Cl 915903873 AQKMDDKVSBCDEB-WIYYLYMNSA-N 431.964 4.039 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 916148376 BVBBWUKOTFTZDW-UHFFFAOYSA-N 443.594 4.277 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1 916587067 VWBCMYIJWHEDHC-UHFFFAOYSA-N 442.563 4.108 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916626189 WLQFCHRDJRPLCT-UHFFFAOYSA-N 426.586 4.044 10 20 IICD CN(Cc1csc2ccccc12)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918221219 RBAIKVYRTOZLHR-UHFFFAOYSA-N 427.545 4.343 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 918437566 JXTSFSQMXMRAAF-UHFFFAOYSA-N 431.561 4.162 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(F)(F)F)C2)cc1 1842802494 CTJBQJRMBJOMQH-UHFFFAOYSA-N 433.474 4.254 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccnc2Cl)cc1 1847173832 MTSFZBHRVNINBQ-VXKWHMMOSA-N 448.954 4.272 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCn1c(-c2ccc(OC)cc2)n[nH]c1=S 60349186 TXIFDJDXMRMMRP-UHFFFAOYSA-N 426.542 4.151 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 301316862 OBJMYSIYPSGXES-UHFFFAOYSA-N 429.446 4.030 10 20 IICD Cc1ccc(C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1 303687883 LUZKQGFWBLECKI-SANMLTNESA-N 444.579 4.352 10 20 IICD Cc1csc(-c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1 726078632 KKUDGHYSADWQRD-UHFFFAOYSA-N 426.517 4.416 10 20 IICD O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NCc1ccc(N2CCOCC2)cc1 726235887 IKVNRSWSTFCTOX-UHFFFAOYSA-N 443.547 4.125 10 20 IICD O=C(Nc1ccc(N2CCCCC2)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695448 FROBOQDYTIJPRV-UHFFFAOYSA-N 445.514 4.464 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 729037631 VWEDUPDWIUVWDO-HNNXBMFYSA-N 437.471 4.353 10 20 IICD Cc1cc(C(=O)CN2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 729482281 MUVRCVKRNYPZLB-UHFFFAOYSA-N 431.939 4.156 10 20 IICD Cc1cc(C(=O)COC(=O)C2(C(=O)NC3CC3)CCC2)c(C)n1-c1ccc(F)c(Cl)c1 729737686 HKMVKVXNTGONPO-UHFFFAOYSA-N 446.906 4.061 10 20 IICD CCN(CC)c1ccc(CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)cc1F 731351830 AXKLPCCQODNHRV-UHFFFAOYSA-N 440.910 4.360 10 20 IICD CN(Cc1cc(Br)cs1)C(=O)CN(Cc1ccco1)Cc1ccccc1O 731844646 LVQMUAFNSNCAMU-UHFFFAOYSA-N 449.370 4.470 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)O[C@@H]1C=CCCC1 733433508 MZNGCTFGYRFYEV-MKRLJBPISA-N 438.368 4.302 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 734406083 OFBYBGCVVBDLCG-FQEVSTJZSA-N 434.367 4.289 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@H](C)[C@@H]2C)c1 735645760 WPKDLVFIEYURMK-JKSUJKDBSA-N 430.595 4.392 10 20 IICD Cc1cc(C(=O)NCCn2cnnc2C(C)C)c(C)n1-c1cccc(Br)c1 740705184 MVEAELWOQYSQKV-UHFFFAOYSA-N 430.350 4.002 10 20 IICD O=C(Nc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 743185199 NWBQWVRRQMBICY-NRFANRHFSA-N 427.570 4.159 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 743411388 OCHVHUZFEZJDJC-UHFFFAOYSA-N 448.914 4.438 10 20 IICD Cc1cccc2oc(CCNC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc12 743708431 DGAHQZSKVWYUBW-INIZCTEOSA-N 444.482 4.248 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1CCC[C@@H](C)C1 745509515 FVPCXRWEMNLMMD-MRXNPFEDSA-N 426.399 4.198 10 20 IICD CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCc2ccccc2O)cc1 748478204 QTQQCUUGXNTNAQ-UHFFFAOYSA-N 440.883 4.492 10 20 IICD CCOC(=O)c1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1Cl 753880297 DJFYTOORNQGBBU-UHFFFAOYSA-N 435.883 4.019 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 757552203 SBEPHKCTUNPWTG-UHFFFAOYSA-N 444.868 4.329 10 20 IICD CC(C)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 761022913 HBXLMWQESUNXTD-GOSISDBHSA-N 428.554 4.039 10 20 IICD Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)n1 763388464 BLMBZWKMZYHJOD-UHFFFAOYSA-N 445.541 4.294 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](c3cccc(C)c3)c3ccccn3)CC2)cc1F 766269087 URZBFWDKTIKYBF-DEOSSOPVSA-N 434.515 4.159 10 20 IICD COc1cc(Br)cc(CN2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1O 769401286 FYJAGWLSYGGTFU-IBGZPJMESA-N 439.394 4.166 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1F 771981813 VBAYEXQJQPBSMC-SJLPKXTDSA-N 436.572 4.259 10 20 IICD CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1 773103794 LBQFZUVYGJSXAJ-VPHKFGTKSA-N 437.563 4.281 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 775372830 JTUFXMIDMMGJCM-KRWDZBQOSA-N 433.508 4.251 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C(F)(F)F)cc1 775991243 BYUIUKDGEXMQQQ-IBGZPJMESA-N 439.503 4.351 10 20 IICD Cc1cc(CC(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1 779692288 DUMYENUVJBKAOG-HXUWFJFHSA-N 442.947 4.397 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 780775059 KTFGYMCOZZBRGC-HNNXBMFYSA-N 441.528 4.212 10 20 IICD CSCCCN1C(=O)/C(=C\c2cccc(I)c2)SC1=S 790587544 WPSXAHGYCVPJPC-FMIVXFBMSA-N 435.377 4.246 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c2C)cc1 796332753 IZUFLMRCIHZKHF-LAUBAEHRSA-N 438.490 4.168 10 20 IICD CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801854995 WXUODXJJVSFXKH-UHFFFAOYSA-N 445.926 4.005 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C 802549983 FWARWNFFBHDGIM-UHFFFAOYSA-N 430.552 4.034 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 802610114 UWJJCTJKTIAXCX-UHFFFAOYSA-N 436.537 4.101 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1 804331017 IAOFYVLSAQUCOK-HNNXBMFYSA-N 445.532 4.274 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccncc1OCc1ccccc1 804968328 ANAOKMLATBDRBB-UHFFFAOYSA-N 448.592 4.213 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2)CC1 805025832 VWUNHCBFKZPDTJ-UHFFFAOYSA-N 447.501 4.217 10 20 IICD O=C(NCCCSc1nccs1)C(=O)NCc1ccc(Sc2ccccc2)cc1 806277257 VOXGUEFWYBWLAJ-UHFFFAOYSA-N 443.619 4.209 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 806867668 WGOWQGSTPLTITJ-IBGZPJMESA-N 429.520 4.006 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 807095413 DAOVERZGSNJKFV-JKSUJKDBSA-N 435.490 4.004 10 20 IICD COC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 808623928 UPPMFGDQDZUXTI-NRFANRHFSA-N 444.959 4.211 10 20 IICD CCN(CC)Cc1ccccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916216406 HPZMXEDRHJTXTO-QHCPKHFHSA-N 425.573 4.125 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccnc(OCc2ccccc2)c1 916397732 MFCQRBNULBEYNP-UHFFFAOYSA-N 448.592 4.213 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(F)c(F)c1F 916631598 KCUFREPZPCRYGT-UHFFFAOYSA-N 433.352 4.281 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C2SCCCS2)cc1 917708938 PJSLQTRBVGJNTK-UHFFFAOYSA-N 432.586 4.461 10 20 IICD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 918307934 AMJZEQPIUWYHEZ-UHFFFAOYSA-N 434.584 4.183 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 919883688 LKRUIRQPOZPGAO-UHFFFAOYSA-N 445.350 4.288 10 20 IICD CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 920881250 SKNLBMXRYNWHHU-KRWDZBQOSA-N 438.959 4.416 10 20 IICD Cc1noc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513004 WRRGILTUMJIMKP-UADZTWIMSA-N 446.551 4.265 10 20 IICD CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740686 NNQXCYJTSXQQLI-OVKVCFKUSA-N 434.964 4.197 10 20 IICD Cc1nn(C)c(OCC(F)(F)F)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 237772667 WTMNWBLQHHISQR-CQSZACIVSA-N 448.436 4.030 10 20 IICD CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 437718860 MTCOPPMFALGMKA-UHFFFAOYSA-N 448.491 4.137 10 20 IICD CCc1cc(Br)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472789725 PKQARWPAKIGQEM-UHFFFAOYSA-N 428.330 4.067 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3[nH]nc4c3c(-c3ccccc3)nn4C)ccc21 523734457 VHPHSPYJIDGRJM-UHFFFAOYSA-N 442.523 4.434 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 726695412 KDGVDQXUPXRCNG-RTBURBONSA-N 438.572 4.099 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 727245550 CNKGEIPVKHVFLW-UHFFFAOYSA-N 428.535 4.195 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 729278628 RLCSXXKBTUAZOH-KZULUSFZSA-N 437.323 4.190 10 20 IICD C[C@H](C(=O)NCc1cccs1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731035956 BXOZSZSMRQHWMF-MRXNPFEDSA-N 429.586 4.230 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)N1CCc2ccccc2C1 731036776 QKJTXUGFEHTAAW-UHFFFAOYSA-N 435.568 4.049 10 20 IICD CC(C)n1nccc1NC(=O)[C@H](C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731037249 YNTLGKHGBYSCBZ-KRWDZBQOSA-N 441.576 4.269 10 20 IICD CCOC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1 732115306 WIKZDJVQVUJXRY-HXUWFJFHSA-N 439.556 4.163 10 20 IICD Cc1cc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)c(C)n1-c1ccccn1 733289075 INMDLZGYSVOZLC-HXUWFJFHSA-N 432.568 4.119 10 20 IICD COC(=O)c1ccc(-c2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1 738300001 SKEHTDZVEBWODJ-UHFFFAOYSA-N 437.565 4.065 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3cccnc23)NC(=O)OC(C)(C)C)cc1 742755085 VQBJXXUASMIAEB-QFIPXVFZSA-N 448.567 4.226 10 20 IICD O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743616009 LMDYUOWWXHAXLD-NRXGSXMXSA-N 437.437 4.390 10 20 IICD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)C1 745189827 QHVSLWQITCTOJM-DNVCBOLYSA-N 432.542 4.111 10 20 IICD COc1ccc(Br)c(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 747699200 QUYLNAIXNQBHLQ-MHWRWJLKSA-N 435.368 4.297 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cn2)cc1C 749729871 CHVHRPWHYNWBNJ-UHFFFAOYSA-N 442.566 4.184 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)cc1 751978030 CQKLAYUPGSHTQK-CYBMUJFWSA-N 448.894 4.235 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)n1-c1ccccc1Br 752252140 CDWXISMOSVUMQQ-QGZVFWFLSA-N 442.361 4.001 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 753642464 DXJURFMNQFQPGM-LBPRGKRZSA-N 446.334 4.440 10 20 IICD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3C[C@@H](C)c4c(F)ccc(O)c43)cc2)C1 756433702 XMCHZECZJIWJRX-QINHECLXSA-N 432.561 4.290 10 20 IICD COc1cc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)ccc1OCCO 756441358 LAXJPIGUIDMBJV-NSHDSACASA-N 430.726 4.039 10 20 IICD C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(Cl)c1O 756544162 SUVUGPJCQDHALM-KOLCDFICSA-N 436.680 4.177 10 20 IICD C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(N2CCOCC2)cc1Cl 760019458 RZCSRHBPEDRMSV-OFNKIYASSA-N 444.019 4.118 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCN(Cc2ccc(Cl)cc2)CC1 760973342 XWKPFUNREYVNPT-UHFFFAOYSA-N 448.350 4.128 10 20 IICD Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 765687507 STBOREQAFUNVRH-OAHLLOKOSA-N 428.439 4.045 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 769239836 NSJFYMDLFSPYJU-WMZHIEFXSA-N 429.586 4.112 10 20 IICD CN(CCC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1)C(=O)OC(C)(C)C 770267849 BIEJQQHSXHYKKR-UHFFFAOYSA-N 436.572 4.070 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1 773237247 OCRHPHJSSPDXQT-FGTMMUONSA-N 428.552 4.066 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(-c2cncnc2)cc1F 773785643 HHIXSBXVSYMNPK-UHFFFAOYSA-N 431.515 4.067 10 20 IICD CC[C@@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O 775498166 HULPQCPXEYMHEK-RTWAWAEBSA-N 432.406 4.184 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](C1CCCCC1)C(F)(F)F 775997035 VXRGEYSQOFOQGJ-FQEVSTJZSA-N 427.511 4.206 10 20 IICD CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782704951 VHAYMFCQLWZFQI-UHFFFAOYSA-N 440.588 4.442 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 788243179 FMEPLSZPNUDDBH-GOTSBHOMSA-N 431.621 4.211 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(c3cc(Cl)ccc3OC)C2=O)cn1 792569022 RBHCCBYVIKEKJA-YVLHZVERSA-N 449.985 4.232 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C[C@@H]4CCCO4)CC3)cc2Cl)C1 799994623 SLXLUYPSFNYITM-RXVVDRJESA-N 449.039 4.019 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)[C@H]3c3cccs3)cc2F)C[C@@H](C)O1 805839853 IRHONWHQCXHZBT-SAHWJRBASA-N 445.604 4.200 10 20 IICD CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806432681 PVOXVHCCCLRXMY-RTWAWAEBSA-N 434.367 4.393 10 20 IICD Cc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC(C)(C)C)c1 807861698 GSBKAKCJHVROMZ-UHFFFAOYSA-N 437.584 4.046 10 20 IICD Fc1cc(CNc2ccn(-c3ccc(Br)cc3)n2)ccc1N1CCOCC1 815143368 JACUBYKRLKHLTR-UHFFFAOYSA-N 431.309 4.223 10 20 IICD Cc1cc(C(=O)COC(=O)Cc2cc3ccccc3nc2O)c(C)n1-c1cccc(F)c1 915572326 FUIYHVJEZHHHCE-UHFFFAOYSA-N 432.451 4.456 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(-n2nccn2)cc1C(F)(F)F 916701454 IQVGMOWNVUMLLW-UHFFFAOYSA-N 430.434 4.208 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3ncc(-c4ccccc4)o3)cc2F)C[C@@H](C)O1 917711459 GOXCVBCKTSEXAU-HDICACEKSA-N 437.515 4.343 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)s1 917869494 WJWPEKCCELHHQB-UHFFFAOYSA-N 436.492 4.312 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cccc(Br)c3)n2)s1 917902168 AUQRJGYNWZYKMU-UHFFFAOYSA-N 430.374 4.447 10 20 IICD C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918225004 ZHMPLWHSELYOIF-HNNXBMFYSA-N 428.533 4.175 10 20 IICD O=C(Nc1ccccc1Cc1ccccc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294915 MZAFSKWHOVMUIX-QHCPKHFHSA-N 444.531 4.129 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 918430345 XZWSPUDSQMXSPI-UHFFFAOYSA-N 427.854 4.460 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1NS(C)(=O)=O 919977766 YQZXDRCZGMXWPN-UHFFFAOYSA-N 447.944 4.380 10 20 IICD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1 1256175547 NMYFBZLORBIART-OKILXGFUSA-N 442.903 4.297 10 20 IICD Cc1cc(CN2CCCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)CC2)no1 1318246644 VVBVCKVKFMMOAY-UHFFFAOYSA-N 426.948 4.392 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C[S@](C)=O)c3)c2C)cc1F 10780611 YFKJUHZCCCOIKK-WJOKGBTCSA-N 441.524 4.460 10 20 IICD Cc1cc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c(C)n1-c1cccc(Cl)c1 108936322 CSSXYMSDKRLVFS-UHFFFAOYSA-N 444.984 4.482 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC[C@@H]1Cc1ccccc1 726706728 QIIAQIXDYKTMEX-OAQYLSRUSA-N 425.548 4.094 10 20 IICD CN(c1ccc(CNC(=O)N2CCCN(Cc3cscn3)CC2)cc1)C1CCCCC1 727477355 NNUAMMZWMWYHHJ-UHFFFAOYSA-N 441.645 4.330 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 728960580 PBDJYCCVOBDSGG-IBGZPJMESA-N 443.613 4.417 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 730908614 DPQZXRGLTOLOOG-SFHVURJKSA-N 429.517 4.097 10 20 IICD C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 734943625 YFBHJVMDFZGKLU-SFTDATJTSA-N 436.600 4.109 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cn(Cc4cccs4)nn3)c2C)cc1 745560765 MGPHXJSPIMPZQP-UHFFFAOYSA-N 434.521 4.144 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 745813470 MXXBIEOEISJNQC-FQEVSTJZSA-N 428.964 4.132 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 745926908 VUTGTKBJSJGEOS-UHFFFAOYSA-N 444.576 4.361 10 20 IICD COC(=O)c1ccc(-c2nc(CN3CCCN(c4ccc(OC)cc4)CC3)cs2)cc1 747812175 SSNSRADNUORHRL-UHFFFAOYSA-N 437.565 4.318 10 20 IICD C[C@@H](NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 747983605 HVHADUHXZNGRGO-DVECYGJZSA-N 441.547 4.114 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)cc1 749730657 AAHNHEOEMPZYKJ-UHFFFAOYSA-N 441.578 4.268 10 20 IICD CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 751635842 MYSKOUDWSVYSGO-UHFFFAOYSA-N 435.634 4.187 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)c[nH]1 753136300 DWSNKEUNFPDCCB-ACAGNQJTSA-N 444.868 4.462 10 20 IICD COc1ccc(C(=O)Nc2cccc(OCCN[C@@H](C)c3cc(OC)ccc3O)c2)cc1 756708121 ZNAHJSVEQKJYGA-KRWDZBQOSA-N 436.508 4.391 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C(F)(F)F)c1 758163950 OMUZTIXMKVVVBN-UHFFFAOYSA-N 431.175 4.427 10 20 IICD CCC(=O)c1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 760667824 ATHWTRVSFIWYJO-NRFANRHFSA-N 439.556 4.341 10 20 IICD C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761277544 IZYHZLACTVQARY-LLVKDONJSA-N 447.278 4.274 10 20 IICD C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCCC2)c(F)c1 764945265 DBQZVLSFDIOAIK-HXUWFJFHSA-N 438.591 4.054 10 20 IICD C[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC[C@H]1N1CCN(C)CC1 765356352 ZUSGDWPAHLUOMY-NBGIEHNGSA-N 448.615 4.266 10 20 IICD COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 767717190 YVOZSPBICYIQNF-UHFFFAOYSA-N 442.465 4.230 10 20 IICD C[C@H](NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc(N(C)C)cc1 770586100 YNFMLHGHIVEVHM-HNNXBMFYSA-N 442.361 4.261 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 776182417 OHGSNTPCJCNALH-KRWDZBQOSA-N 435.446 4.138 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 776182418 OHGSNTPCJCNALH-QGZVFWFLSA-N 435.446 4.138 10 20 IICD COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1N1CCOC1=O 777107593 HAMALWFJIIOHPN-OAHLLOKOSA-N 431.920 4.315 10 20 IICD Cc1nccc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2)n1 782895784 JUKJJOAPLUQEOU-UHFFFAOYSA-N 444.535 4.458 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)c3nc(Br)ccc3F)ccc21 791518085 RFGPNVPLCCVDKW-UHFFFAOYSA-N 425.213 4.011 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3ccccc3S(C)(=O)=O)c2C)cc1 795249685 CAWFWOGECHZUIU-UHFFFAOYSA-N 427.522 4.158 10 20 IICD COCc1nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(-c2ccccc2)s1 799320224 STNGYQCHGKQDLV-UHFFFAOYSA-N 437.565 4.318 10 20 IICD CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 802550457 AGCVJYJVTFVECB-UHFFFAOYSA-N 446.016 4.446 10 20 IICD Cc1cccnc1[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C(C)C 805867929 UWNJOXWAHFKPOS-HSZRJFAPSA-N 448.567 4.091 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cc2c1OCO2 814268143 RIVRTKIPPZIYDW-BOPFTXTBSA-N 431.560 4.417 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)c1c(F)cccc1F 857455655 GOWKSBDPTQVFET-GFCCVEGCSA-N 432.364 4.443 10 20 IICD Cc1ncc(-c2ccc(NC(=O)C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2)o1 915748577 JOKLXOOPVHTUDG-UHFFFAOYSA-N 442.519 4.355 10 20 IICD O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2c(c1)OCO2 916232335 NMGRFUUSLMQAHN-XMMPIXPASA-N 429.476 4.023 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 916438112 CZHGQHDTYHSIDE-DNVCBOLYSA-N 433.474 4.167 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1OC(F)F 916456676 MTKLWSABNFXXSI-UHFFFAOYSA-N 430.373 4.073 10 20 IICD CCN(CC)c1ccc(CN/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1 917602327 GHGNXOKYEDEASJ-NKFKGCMQSA-N 426.520 4.246 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ncc(-c4ccccc4)o3)cc2F)C[C@@H](C)O1 918213649 OSZFNYWHQJALBY-IAGOWNOFSA-N 438.503 4.094 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4ccc(F)cc43)cc2F)C[C@@H](C)O1 919791085 AUGLZNIKNKMKHO-MRUHUIDDSA-N 445.510 4.292 10 20 IICD CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1115834981 YUONWEZUIZHCIH-UHFFFAOYSA-N 432.407 4.172 10 20 IICD C[C@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cc(Br)c(F)cc1O 1337796063 OHLRAGQCKSBMSK-JTQLQIEISA-N 449.242 4.393 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccns3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1787204696 AUYLTIFERXDJFE-UHFFFAOYSA-N 443.912 4.269 10 20 IICD CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1795458356 SCGKLTYZQUGMBY-RDGPPVDQSA-N 442.943 4.197 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 13348531 CXIROVFEBDUNIP-CHHVJCJISA-N 440.468 4.399 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C[C@H](c3ccccc3)C(F)(F)F)cc2F)CC1 303257819 CHIUKXMSKCCKSR-LJQANCHMSA-N 437.481 4.320 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)N(C)[C@H](C)c3ccccc3)ccc21 500224775 BUFRKOXXWJNFIQ-HXUWFJFHSA-N 435.568 4.196 10 20 IICD CCOC(=O)c1sc(N(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)nc1C 609842618 RBGODWWIGNOOFP-UHFFFAOYSA-N 429.542 4.123 10 20 IICD CCCOc1c(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cccc1OCC 726628623 ZOOROEMXEDZRSK-QGOAFFKASA-N 442.562 4.379 10 20 IICD CCOc1cccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1 726801763 MSUUEEDYTVCALA-XSFVSMFZSA-N 427.547 4.300 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)Cc3ccccc3Cl)cc2F)CC1 730134290 WRPDTJYZDQTEGW-UHFFFAOYSA-N 432.971 4.353 10 20 IICD Cc1oc2c(CN3CCC[C@H](N4CCCCC4=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 732797800 JCPWJOFTDZHNPG-FQEVSTJZSA-N 446.547 4.451 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 734468288 SKHVPUCCXGWODC-UHFFFAOYSA-N 427.508 4.120 10 20 IICD COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)Cc2ccco2)cc1F 739926953 XWIJDKRTJRNTOM-UHFFFAOYSA-N 439.487 4.211 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(CSC2CCCC2)c1 741100210 SNRWCBKVWUEUJJ-UHFFFAOYSA-N 435.593 4.494 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)c(Br)c1 743338296 DNHXDNNIDWACSU-UHFFFAOYSA-N 441.366 4.399 10 20 IICD CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 744379014 QCNXXFJQDJYMPD-KBPBESRZSA-N 438.505 4.116 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)c3ccc(N4CCOC4=O)cc3)c2C)c1 744482145 QUUXTGIIJYEYME-UHFFFAOYSA-N 432.476 4.399 10 20 IICD COc1ccc2sc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c(C)c2c1 745340435 YYPXHYNXZDDPDA-UHFFFAOYSA-N 426.538 4.100 10 20 IICD COCCN(CC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(OC)c(OC)c1 746478280 QWBORYJJQQHYLG-KRWDZBQOSA-N 430.570 4.074 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 747411652 UZKKKJARDNXSTM-CYFREDJKSA-N 425.573 4.186 10 20 IICD O=C(Nc1cc(F)cc(N2CCOCC2)c1)N(Cc1ccco1)Cc1ccccc1O 748447960 PNJLBMLTFCWGGO-UHFFFAOYSA-N 425.460 4.195 10 20 IICD Cc1cc(C)n(-c2ccc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2)n1 751406646 QVFQPJITQOSXLR-SANMLTNESA-N 446.595 4.305 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 751412524 XSHAUMRCFDVZKQ-NWCRWOLESA-N 446.623 4.206 10 20 IICD Cc1nc(CN2CCC(C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)cs1 752086345 JYQJSVHFUNKYBH-UHFFFAOYSA-N 425.554 4.191 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)CC2)cc1 754290810 ISARCRWTJDFHRJ-NZQKXSOJSA-N 427.520 4.023 10 20 IICD CN(Cc1ccccc1Br)C(=O)CN(Cc1ccco1)Cc1ccccc1O 756318421 LTWBVNSXBZXPAF-UHFFFAOYSA-N 443.341 4.409 10 20 IICD C[C@@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)cc(F)c1O 756592980 KOESPAKGXFQYSD-RFAUZJTJSA-N 446.700 4.103 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1Br 759647097 VCVSHMRKBHTBSY-UHFFFAOYSA-N 440.344 4.167 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC([C@@](C)(O)C(F)(F)F)CC3)cc2)CC1 767319175 FCCOQHDNUFAXNY-OAQYLSRUSA-N 427.511 4.158 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 767993038 HRYJKZMBGKUGPA-UHFFFAOYSA-N 436.339 4.247 10 20 IICD O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1 768414587 QHSCIQMIYXRVCM-UHFFFAOYSA-N 438.896 4.369 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c1 769941587 DRSZEFGJVMKBDQ-UHFFFAOYSA-N 436.411 4.100 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4nn(C(C)C)cc4c3)cc2)CC1 774222386 JMPPOESIAAJRPK-UHFFFAOYSA-N 433.556 4.108 10 20 IICD C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C 775236952 XRVVPLOSUNEOML-IEBWSBKVSA-N 443.544 4.485 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3cncnc3)cc2F)cc1 775823799 KFSUJNYYFJQTBH-JOCHJYFZSA-N 434.515 4.170 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 778620666 QMWBIIDSTVYQPG-OAQYLSRUSA-N 427.495 4.237 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)c2cccnc12 778995145 QYUKNNKNBLQTDM-UHFFFAOYSA-N 426.358 4.466 10 20 IICD CCOC(=O)[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H]1CCCOC1 781204995 ZTQSIFHFAQAYJT-HTAPYJJXSA-N 438.528 4.256 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 784813272 MFBHUYFAYQRAGK-UHFFFAOYSA-N 443.473 4.184 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(Cc2ccccc2F)CC1 785534759 UZQOWGRFDQEYNZ-UHFFFAOYSA-N 436.449 4.320 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2)CC1 786256577 UMVFDCZCRWKXMS-VXKWHMMOSA-N 446.378 4.082 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cnc1Br 788175326 NGEGVQCCZKZFPW-UHFFFAOYSA-N 444.329 4.354 10 20 IICD CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 790045386 NNYXUTIRAQNSNT-UHFFFAOYSA-N 437.370 4.289 10 20 IICD Fc1cc(CNCc2ccc(OCC3CC3)cc2)ccc1N1CCN(c2ncccn2)CC1 790954355 PFZIBLMYSOIPCY-UHFFFAOYSA-N 447.558 4.021 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccnc(O[C@@H](C)CC)c1 791245729 FRUCIHCQAHCDKR-KRWDZBQOSA-N 427.545 4.261 10 20 IICD CCS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)s1 792217934 MOXMEYYJQHWLHZ-UHFFFAOYSA-N 436.599 4.292 10 20 IICD CN1CCN(CCOc2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CC1 792854078 JHPOIIYLQJVVBU-UHFFFAOYSA-N 436.522 4.010 10 20 IICD CCn1ncnc1CNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 792878656 BASVORHAQVMVQG-SFHVURJKSA-N 446.477 4.293 10 20 IICD Cc1cc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)ccc1N1CCSCC1 797741868 QUYFJOPDIDEIRD-UHFFFAOYSA-N 449.960 4.026 10 20 IICD COc1cnc2ccccc2c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 801670621 NHXNNIMNYODELK-UHFFFAOYSA-N 427.451 4.244 10 20 IICD Cc1ccc2c(c1)CN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CCO2 806683983 DSXJAPGLCMZQSL-UHFFFAOYSA-N 431.483 4.169 10 20 IICD C[C@]12CCN(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C[C@H]1C2(Cl)Cl 806877752 FRLGMEFNPLOCGH-NRXGSXMXSA-N 448.341 4.482 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807094112 RWHVENJGLAOIOY-QHCPKHFHSA-N 445.588 4.149 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccc(N(C)C)cc1 807678580 JGNMNGVPCUZPBV-OAHLLOKOSA-N 448.548 4.116 10 20 IICD COc1ccc(-c2ocnc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 808382628 FWGIVXHBJBPTNB-UHFFFAOYSA-N 443.450 4.350 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 808871821 YDVHTRNNROUQMT-UHFFFAOYSA-N 436.474 4.244 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(OCc3ccccc3)cc2O)s1 809720723 GOHLLSAWBVZZQC-CVEARBPZSA-N 440.569 4.138 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCO1 812433262 JEFBZVZOYHKAIJ-LJQANCHMSA-N 444.482 4.458 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@H]1CCCc3ccccc31)c2[N+](=O)[O-] 912913320 ZVKVCNOJCMUIHR-MRXNPFEDSA-N 440.455 4.220 10 20 IICD CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 915759821 LZEQLCYSPKYJQJ-UHFFFAOYSA-N 429.480 4.107 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3c(F)cc(F)cc3F)cc2F)C[C@@H](C)O1 917443105 PLMHTCGPFJWSRP-CHWSQXEVSA-N 442.478 4.265 10 20 IICD CC(C)c1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccc(F)cc1 917709059 PDZQJLGZHKWVJV-UHFFFAOYSA-N 440.494 4.041 10 20 IICD CCCOc1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918036671 AZTRSJQDHJFJEE-KRWDZBQOSA-N 444.963 4.152 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1Br 918074271 YYYXVQUJLOJSFD-SFHVURJKSA-N 427.346 4.398 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)c(C)n1-c1cccc(Cl)c1 919982223 RQUNQMCHELGNJI-QGZVFWFLSA-N 438.959 4.298 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1 920868201 AFFCESXNUALRSR-INIZCTEOSA-N 437.462 4.324 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1)c1cc(O)nc(O)c1 1789103255 NUNXJGKASPWKKF-UHFFFAOYSA-N 448.504 4.097 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)cc1 110353374 CRCPTLBKPDZBOM-UHFFFAOYSA-N 429.520 4.346 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccco3)Cc3ccco3)cc2F)CC1 303273047 GPHNBOHQRLEUBR-UHFFFAOYSA-N 440.519 4.066 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Sc2ccccc2Cl)nn1 470525136 DPUSAHRBPGTGND-UHFFFAOYSA-N 426.929 4.386 10 20 IICD COc1ccc(N2CCC(NC(=O)Cn3c(SC(F)F)nc4ccccc43)CC2)cc1 726561367 QNNAWAHOLXHTTE-UHFFFAOYSA-N 446.523 4.145 10 20 IICD O=C(CCc1cccc(OC2CCCC2)c1)NCc1ccc(N2CCOCC2)c(F)c1 727674380 SODUBSSEGSNVKS-UHFFFAOYSA-N 426.532 4.233 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccccc2Br)C1 732241329 GJWKPLRDDAUOJE-GOSISDBHSA-N 443.389 4.127 10 20 IICD COc1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC(F)F)c1 734158279 VXAZBEGIRYACDW-KRWDZBQOSA-N 426.891 4.410 10 20 IICD CCOC(=O)N1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1c1ccc(C)o1 736547744 FIKSOZSNIKHZOZ-RTWAWAEBSA-N 425.529 4.167 10 20 IICD CCc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 739922983 ASLYWSYURYFWMX-HSZRJFAPSA-N 443.563 4.051 10 20 IICD COc1ccc2c(c1)OCC[C@@H]2NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743651143 ZRJMOCQXGJPFOO-YWZLYKJASA-N 447.482 4.088 10 20 IICD CCN(Cc1cc(Br)ccc1O)C[C@@H](O)c1cccc(Br)c1 743871067 OTXHNQZFJDBWOR-QGZVFWFLSA-N 429.152 4.473 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3nc(C)c(SCC(N)=O)s3)c2C)c1 749342146 NRKIHJPMGUQETQ-UHFFFAOYSA-N 428.583 4.306 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 750626321 OCPFIWYENWSVFQ-UHFFFAOYSA-N 437.496 4.320 10 20 IICD O=C(CCOc1ccccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 752152111 VUCPIPSSKSPMFQ-QGZVFWFLSA-N 434.330 4.131 10 20 IICD O=C(NCC1([C@@H](O)c2ccccc2)CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752663049 DNRLXLPSFCBFSV-NRFANRHFSA-N 445.510 4.070 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 753040003 DWSMVNHTXGTWQQ-NFBKMPQASA-N 425.598 4.207 10 20 IICD COc1cc(Br)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1OC 755984445 JYUZLGZBZGGUFS-UHFFFAOYSA-N 444.347 4.405 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)cc1-n1nnnc1C1CC1 757613558 MQDKQHCKOYCJNP-SNVBAGLBSA-N 448.296 4.329 10 20 IICD O=C(Nc1ccccc1)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 759673939 HBYIQKKVMFMWQZ-QHCPKHFHSA-N 430.504 4.466 10 20 IICD C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Br)c(F)cc1O 760029125 MFQXDUJLCXKWKA-VIFPVBQESA-N 436.730 4.202 10 20 IICD CC[C@@H](C(=O)N1CCC(NC2CCN(c3ccc(OC)cc3)CC2)CC1)c1ccccc1 765524821 KBXKBFLXIMKNLS-AREMUKBSSA-N 435.612 4.438 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H]3CCCSc4ccc(Cl)cc43)cc2)CC1 765978057 CCVJXBWFGNZOMH-FQEVSTJZSA-N 437.030 4.292 10 20 IICD O=C(Cc1coc(-c2cccs2)n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768914652 FVADMZGYTXCDGJ-INIZCTEOSA-N 431.945 4.085 10 20 IICD Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1ccccc1Br 769343904 LVOKHWCGGHAJDT-RBUKOAKNSA-N 435.387 4.203 10 20 IICD CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 772598287 KCQYIOQDRWKWBQ-OAQYLSRUSA-N 447.526 4.240 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@@H](C)c1ncn(C)n1 780311612 BVFKTNUERCAXLT-KSSFIOAISA-N 446.477 4.371 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)nn1[C@@H](C)C1CC1 783481779 DXHSIETYPIEXFQ-MSOLQXFVSA-N 431.540 4.478 10 20 IICD CCCc1c(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cnn1-c1cccc(F)c1 784026282 VLXAQHWQHLFGFA-UHFFFAOYSA-N 438.503 4.047 10 20 IICD Oc1cc2c(cc1CN1CCC[C@@H]1c1nc(-c3ccccc3Br)no1)OCO2 785516047 FMAGYCDILVCBPJ-OAHLLOKOSA-N 444.285 4.271 10 20 IICD COc1ccc(N2CCN(CCCN[C@H]3CCSc4ccc(OC)cc43)CC2)cc1 786568873 AZTZTZLUZUQLJE-QHCPKHFHSA-N 427.614 4.043 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1OC(F)F 787872105 SAWYIJKYCYCJQS-HXUWFJFHSA-N 447.526 4.359 10 20 IICD O=C(c1cc2ccccc2s1)N1CCN(Cc2cccc(Br)c2O)CC1 789774101 LSRRYMCLFFTHGU-UHFFFAOYSA-N 431.355 4.327 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nnc(-c4cc(F)ccc4C)s3)CC2)cc1F 791909232 ZZFCXKSKMSASJY-UHFFFAOYSA-N 445.495 4.154 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3scc(C)c3Br)cc2F)CC1 792594559 UUGPTAJUCPZVFH-UHFFFAOYSA-N 440.382 4.030 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cn(Cc4cccs4)nn3)cc2Cl)C1 800047552 MEEIQCRAOOAHFU-HNNXBMFYSA-N 429.977 4.208 10 20 IICD Cc1c(N[C@H](C)c2cc(Br)cc(F)c2O)cccc1N1C(=O)CCNC1=O 800500823 ZDFMOJKOJGRGQC-LLVKDONJSA-N 436.281 4.222 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncccc4c3)cc2Cl)C1 800636320 JFKUNZWBNPLETC-INIZCTEOSA-N 436.943 4.379 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 808266677 RDJKLHLIBXSLJT-CVEARBPZSA-N 436.474 4.458 10 20 IICD Cc1cc(Br)c(O)c(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 813792607 SJEWTWKELZLLPA-HNNXBMFYSA-N 433.115 4.188 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(F)c1Br 815835352 QANJSZGHXHAOLG-CQSZACIVSA-N 441.728 4.342 10 20 IICD O=S(=O)(NC1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1)c1cccs1 917423876 QJTOTXUIYPDRRP-UHFFFAOYSA-N 446.594 4.022 10 20 IICD COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(C(C)C)c3)CC2)cc1 917573372 RXNCQPIIUXZINE-UHFFFAOYSA-N 426.630 4.317 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COc2ccccc2)c1 918307592 ZWJALXJGYOVQDE-UHFFFAOYSA-N 431.536 4.319 10 20 IICD CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 919076148 DSILUROJFBDHMW-QHCPKHFHSA-N 447.535 4.408 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 919766780 SFLAIUOAPIQFGJ-UHFFFAOYSA-N 432.520 4.041 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4ccc(F)cc43)cc2F)C[C@@H](C)O1 919791091 AUGLZNIKNKMKHO-ZOCZFRKYSA-N 445.510 4.292 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 920846313 QUOQYGSKMNBOOW-UHFFFAOYSA-N 432.364 4.089 10 20 IICD C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(N2CCOCC2)cc1 920880554 JIBGFOPXZUDXRM-INIZCTEOSA-N 441.478 4.266 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(-c2ccccc2Cl)o1 27745786 SLIAWNMUFFLZMW-UHFFFAOYSA-N 426.900 4.481 10 20 IICD CN(C)c1ccc(CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1F 58545554 XIPAUJXJHXMWHP-UHFFFAOYSA-N 441.816 4.117 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C1 435824114 GPAABNOYASWRQZ-IDISGSTGSA-N 431.580 4.302 10 20 IICD COc1ccc2c(c1)CN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CC2 726718992 LAYYRUNVPHFZNX-UHFFFAOYSA-N 431.483 4.033 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 727476164 OIPRPKVJMIRNSA-OAQYLSRUSA-N 449.979 4.315 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 730681646 GGWQRRISIBLHJG-GOSISDBHSA-N 442.579 4.146 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCC[S@](=O)c1ccc(Br)cc1 732283056 DEXGJRQWXYMESV-SANMLTNESA-N 438.387 4.481 10 20 IICD COC(=O)CCCc1nnc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)s1 739666966 HRUZENPOYBJMIU-UHFFFAOYSA-N 446.960 4.276 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)ccc1OC 740604638 JVJSMBLWUDMLMI-UHFFFAOYSA-N 438.914 4.060 10 20 IICD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc(N2CCCCCC2)c1 740848300 RKELQYFURAXVHN-UHFFFAOYSA-N 427.570 4.068 10 20 IICD Cc1ccc2c(c1)OCCN2C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 741633663 XNOCPABKSNJINU-QGOAFFKASA-N 444.603 4.464 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)cc1 741830642 WFTBMYDZONLXGM-UHFFFAOYSA-N 449.511 4.189 10 20 IICD C[C@@H](CCc1cccn1C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 741992960 JDYXEGWBTZHEPB-JZBMNUFDSA-N 447.651 4.206 10 20 IICD CC(C)c1ccc(N2CC[C@@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2=O)cc1 743339725 WPYLYVBGSYMRJI-PKTZIBPZSA-N 436.552 4.076 10 20 IICD Cc1nnc2n1C[C@@H](C(=O)OCC(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2 750673425 CVCXZVIUSGGJRF-FQEVSTJZSA-N 434.540 4.106 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1)C1CCCCC1 751607479 MYIJTOVQMSOCAZ-XMMPIXPASA-N 429.605 4.325 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4ccc(Cl)cc4)no3)cs2)cc1 751930735 ILFKLHYIOYGXCZ-UHFFFAOYSA-N 426.885 4.377 10 20 IICD Cc1cccc(-c2nnc(N(C)Cc3ccc(N4CCCCC4)cc3)n2C[C@@H]2CCOC2)n1 752829746 BJAHDZWQEBFODE-QFIPXVFZSA-N 446.599 4.312 10 20 IICD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 756052481 HCYAATUPZMFGGC-XXBNENTESA-N 447.583 4.117 10 20 IICD C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)c(F)cc1O 756474931 KZPZQGVIWUEQEC-ORAYPTAESA-N 441.316 4.157 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(Br)ccc1O 756849671 DTDUAOJPNCVBSF-QWHCGFSZSA-N 430.306 4.119 10 20 IICD COc1cc(N2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)cc(OC)c1OC 759888014 YPLQCUZOCCAWAM-UHFFFAOYSA-N 449.551 4.009 10 20 IICD C[C@@H]1CN(Cc2ccc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 764767320 IJZIHXGXHNSMEO-NJDAHSKKSA-N 441.591 4.122 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1c(Cl)cc(F)cc1Br 767256404 ZJBBXKJLUKSMEW-UHFFFAOYSA-N 445.788 4.159 10 20 IICD O=C(NC1CCN([C@H]2CCCC[C@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1 769166650 LHTWSASZIMJNEB-LADGPHEKSA-N 429.605 4.004 10 20 IICD Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 769191584 AIUZEUUCZOFVSL-KRWDZBQOSA-N 435.399 4.128 10 20 IICD COC(=O)C1=NOC2(CCN(C(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)CC2)C1 771465145 OVMNSRYPRKKBIA-UHFFFAOYSA-N 437.540 4.142 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)cc1 772688482 PDWASIOJVUYILV-HSZRJFAPSA-N 427.508 4.393 10 20 IICD C[C@@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccc(N(C)C)cc1 773017366 VTRYBWPKZDQYEF-UTKZUKDTSA-N 441.576 4.012 10 20 IICD CC[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O 775483134 MEQOYNUNCDPIGM-SJORKVTESA-N 425.392 4.330 10 20 IICD CC[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)c(Cl)c1O 775520316 CEUPPLHBROEKDJ-CYBMUJFWSA-N 431.332 4.004 10 20 IICD CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)O2 777279057 OPJZGCMBPDBVGL-LBVATQBMSA-N 436.512 4.479 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)c1ccc(N)cc1 783487517 WJNSBSGJHXWIET-KRWDZBQOSA-N 443.482 4.327 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccc4cccc(Br)c4n3)cc2)CC1 786075748 XNZQBYDXRPOWRT-UHFFFAOYSA-N 439.357 4.278 10 20 IICD O=C1CSc2ccc(NCc3cccc(Br)c3O)cc2N1CC(F)F 790619885 UVQRCKCANJHVOK-UHFFFAOYSA-N 429.286 4.471 10 20 IICD CC(C)(C)[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 796337609 FQJUTAGKNBVITC-OAQYLSRUSA-N 443.555 4.294 10 20 IICD COc1ccc(N2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3C)CC2)cc1F 800728639 XKCMPPDDVJUNNO-GOSISDBHSA-N 439.535 4.046 10 20 IICD CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806846280 ITQBDQXLNWIXMV-LEWJYISDSA-N 432.351 4.169 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1cccs1)Cc1cccs1 807291351 HHXSNCINXUWZMY-UHFFFAOYSA-N 437.590 4.031 10 20 IICD CCCCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1 807512627 ARIWTOICNPCOIQ-UHFFFAOYSA-N 425.312 4.441 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1F)c1ccc(N(C)C)cc1 807679319 QEMMSJXTHAEZEI-IBGZPJMESA-N 433.527 4.298 10 20 IICD O=C(Cc1cccc(Cl)c1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 810159860 LGSVZLABWYZFLT-UHFFFAOYSA-N 430.829 4.193 10 20 IICD CCOCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccccc1O 812191849 MNRCFMHUZGKCDG-UHFFFAOYSA-N 432.528 4.104 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=S 814269625 YOIYDDWPFIAKRU-UYRXBGFRSA-N 444.578 4.257 10 20 IICD O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 815017211 GWELPASQBFKXBF-SFHVURJKSA-N 444.931 4.067 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1 914578346 XNCXBEBRKUNZNA-UHFFFAOYSA-N 436.580 4.358 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1C 915220135 GNBHRSGLZYQXSW-UHFFFAOYSA-N 431.539 4.276 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(Cl)c2c(c1)OCCCO2 916194307 SQKJXLAELSRPSW-UHFFFAOYSA-N 447.988 4.054 10 20 IICD Cc1cc(CCNC(=O)N[C@H](c2ccccc2)c2nccn2C)c(C)n1-c1ccccc1 916220325 DFSXBZDWBWUWHE-XMMPIXPASA-N 427.552 4.459 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCO4)SC2=S)c1 917037401 UTPWDKRXZIOTPK-NVNXTCNLSA-N 433.894 4.215 10 20 IICD CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 917917080 XBMULBPSUZKGSG-UHFFFAOYSA-N 431.341 4.016 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 918307472 WYOFIYHKLWIUFA-UHFFFAOYSA-N 448.592 4.427 10 20 IICD Cc1cc(C(=O)COC(=O)CCn2ccccc2=O)c(C)n1-c1cccc(C(F)(F)F)c1 919254144 FEUDOXLVWHVPMK-UHFFFAOYSA-N 446.425 4.091 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1OC(F)F 1319923549 OTEGWWRBQOHLKU-CABCVRRESA-N 437.462 4.385 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)COC2CCCCC2)C3)cc1 1845397828 XCEMKJGGKTYQAA-UHFFFAOYSA-N 449.595 4.260 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 9932399 CJIXZKRLBAIFJC-UHFFFAOYSA-N 445.629 4.144 10 20 IICD CCOc1c(Br)cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC 22347764 PDHISHRHINGNSS-PTNGSMBKSA-N 425.348 4.313 10 20 IICD CCN(CC)c1ccc(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 236963959 SOXITNOIIPOTGR-UHFFFAOYSA-N 439.581 4.413 10 20 IICD C[C@H](Nc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccc(N2CCOCC2)cc1 301250584 RRQTYSISKWTXMF-IBGZPJMESA-N 428.536 4.294 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C(=O)c4ccc(C)cc4)CC3)c2C)cc1 727391850 UYCIYBJTCLRKEZ-UHFFFAOYSA-N 445.563 4.446 10 20 IICD Cc1nc(-c2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)oc1C 727839614 NEBXWNYTWRXSGY-UHFFFAOYSA-N 434.540 4.489 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cc(OC)cc4c3O[C@@H](C)C4)SC2=S)cc1 727860743 JWBQEWBJLVTCGA-MDBUFAAASA-N 427.547 4.429 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 728979413 HKULASDNPHMDBK-IEBWSBKVSA-N 432.520 4.284 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 729535879 WGJVYHYJWALFDJ-LBPRGKRZSA-N 446.429 4.369 10 20 IICD O=C(NCCOc1ccccc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 730125558 VTYBQPACVDOBQL-QGZVFWFLSA-N 438.446 4.181 10 20 IICD Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731053697 XWWXGVKHHZTZKM-UHFFFAOYSA-N 425.598 4.219 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C2CC2)cc1 731280753 CPAQSSFXJQHLJW-SFHVURJKSA-N 441.547 4.181 10 20 IICD CN1CCCc2cc(CNC(=O)CCC[S@@](=O)c3ccc(Br)cc3)ccc21 732278970 HFGPLUVSKHDAFS-HHHXNRCGSA-N 449.414 4.036 10 20 IICD O=C(NCCCSc1nccs1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 733880450 JCYSKXFMOSPXCQ-SFHVURJKSA-N 429.533 4.196 10 20 IICD C[C@H](NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)c1ccc(N2CCOCC2)cc1 742584201 WDVYJCUJNMKQLX-HNNXBMFYSA-N 442.466 4.006 10 20 IICD COc1ccc(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 742799717 MYVMGHDAWQCPIF-KRWDZBQOSA-N 434.483 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(N2CCC(C)CC2)nc1 743808565 XPLJVSGPUSLQMS-UHFFFAOYSA-N 432.362 4.448 10 20 IICD CCC[C@H](CC)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 743838447 WZBKOFWEXWNFHL-GWQWUEFDSA-N 441.416 4.345 10 20 IICD CCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cc(Br)ccc1O 743874687 ZCQGKXYJFRBXNC-UHFFFAOYSA-N 432.767 4.104 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccn(-c2ccccc2)n1 745791942 FLGSNSYKNAZTNX-UHFFFAOYSA-N 443.345 4.115 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)C[C@@H](C)O1 747543167 ISDJKOWUFRFWKL-RTBURBONSA-N 440.613 4.175 10 20 IICD Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1Cl 748864940 KEZWOIWGIYHPRD-UHFFFAOYSA-N 443.396 4.268 10 20 IICD O=C(Nc1ccc2ncsc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751065236 OEVLEVCIISNSGK-UHFFFAOYSA-N 431.520 4.117 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)ccc21 754549397 CEYRMEOWUCDVAL-XMMPIXPASA-N 438.483 4.154 10 20 IICD C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)cc(F)c1O 756353325 YRQZXQXIMGCNNO-ORAYPTAESA-N 441.316 4.157 10 20 IICD Cc1ccc(O)c([C@@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1 756455218 BOJIQULZVGUIEJ-QGZVFWFLSA-N 428.529 4.169 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1cc(Br)c(F)cc1O 756851357 UDJRISYKHOLPQT-RYUDHWBXSA-N 448.296 4.258 10 20 IICD C[C@H](NC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 758407249 LIADUZBHEVYQSA-GLYQVZKVSA-N 441.547 4.285 10 20 IICD CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1 759577863 DOGIYKYHRJPKPV-YCRREMRBSA-N 428.441 4.135 10 20 IICD CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 762567634 AIDCOTLVVBLOAC-HUUCEWRRSA-N 440.612 4.001 10 20 IICD C[C@@H](NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 763075354 AZTPGOZTWZQIBI-CJFMBICVSA-N 437.584 4.056 10 20 IICD C[C@@H](NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 766602740 UFVRDMGXNLOBIS-IBVKSMDESA-N 445.563 4.284 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1 767755411 IUACFPQVBDULNJ-OXJNMPFZSA-N 443.498 4.232 10 20 IICD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc(Br)ccc1O 768180657 STCAETFRZVOREH-UHFFFAOYSA-N 442.151 4.296 10 20 IICD CCCCn1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1 773720710 UZLFMPOHAGBHRB-GOSISDBHSA-N 435.519 4.061 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1)c1ccc(N(C)C)cc1 773853982 AHYAZWKDJVDEHD-LJQANCHMSA-N 431.536 4.190 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)NCc4ccccc4F)cc3)cc2)CC1 775181761 WIPBNZXSZLVXSO-UHFFFAOYSA-N 432.543 4.120 10 20 IICD CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN[C@@H](C)c1cc(OC)ccc1O 775370938 JUZNLKSLSUONQB-ZDUSSCGKSA-N 444.509 4.188 10 20 IICD C[C@H](NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 777120462 AWPGRAKCJXFBHP-XOBRGWDASA-N 446.872 4.416 10 20 IICD C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(N2CCCCC2)cc1 777401118 KOHAYTGKVUNHBK-HXUWFJFHSA-N 427.614 4.410 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C(C)C)c2C)cc1 777587064 YZJDOSJKVMMHNO-UHFFFAOYSA-N 426.542 4.337 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O 778578700 UGDNDYAUHCHZFS-UHFFFAOYSA-N 445.441 4.381 10 20 IICD C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N[C@H](C)c1ccc(F)cc1 789015140 AUCODHKMBHWMEV-HUUCEWRRSA-N 445.446 4.024 10 20 IICD CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 789847759 UPTQDRPXPQYTJP-UHFFFAOYSA-N 447.604 4.058 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2Cl)C1 800050064 MLSMARUVJOLOST-ZDUSSCGKSA-N 431.876 4.143 10 20 IICD CCO[C@@H](C)c1noc(CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC)n1 802056284 HTKRFTBAPJQABH-SFHVURJKSA-N 449.559 4.489 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 802267967 GYKKCSMUXRMPEF-DHIUTWEWSA-N 445.991 4.429 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1scnc1C 802412132 BLQZIRHKWQZYQN-UHFFFAOYSA-N 436.585 4.400 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1F 806805442 XYYXTDIOHZLOGA-UHFFFAOYSA-N 431.487 4.052 10 20 IICD CCc1c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1C(CC)CC 807512887 NICMGEDCAXCKPO-UHFFFAOYSA-N 427.332 4.074 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(N(C)C)cc1 808291151 FQUFSDHCEAYFLH-YWZLYKJASA-N 437.462 4.495 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC(C)=O 814278651 PGQGSXZLJYQHRM-WOJGMQOQSA-N 429.519 4.343 10 20 IICD C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)Nc1ncccn1 814771939 JQUYOGBEJIOGQH-GPILYODUSA-N 426.548 4.422 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1-c1ccncc1 815587770 SWBVPQFDTJTOAN-UHFFFAOYSA-N 430.552 4.499 10 20 IICD CC(=O)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cs1 815710554 OVONCBHINZBDPT-SFHVURJKSA-N 431.558 4.013 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)cc1Cl 915219256 ATDOPBPVAFVVJS-UHFFFAOYSA-N 439.902 4.490 10 20 IICD CCCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 915704215 RPSYVWVABFIELH-UHFFFAOYSA-N 446.389 4.378 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)cc1 918428927 CFISXMSGEKPZCP-UHFFFAOYSA-N 429.611 4.266 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(-c4ccccn4)no3)c2C)c1 919106281 UAGTYYSNMHFGDB-UHFFFAOYSA-N 444.491 4.206 10 20 IICD C[C@H](NC(=O)NCCc1ccc(OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 1320028273 QZYXXDYRJHWNQH-IBGZPJMESA-N 425.573 4.303 10 20 IICD Cc1cc(C(=O)Nc2ccnn2C[C@@H]2CCOC2)c(C)n1-c1ccccc1Br 1321531080 PVGULWOEHCSNJJ-INIZCTEOSA-N 443.345 4.342 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3C[C@@H]3F)n[nH]2)cc1 1821818009 JUTUEHHXSCYIAT-ONTIZHBOSA-N 449.530 4.481 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2cccnc2)cc1 1848238796 SAOAHIKRQHPTRZ-UUBJJMNHSA-N 440.547 4.018 10 20 IICD COc1ccc(-n2nnc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c2C)cc1 195717887 CJGAFAXPGZLTIE-UHFFFAOYSA-N 433.556 4.283 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(I)c(F)c1 303305937 ZTVPPBBCDBJXOF-UHFFFAOYSA-N 426.273 4.159 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(-c3ccccc3)ccc2O)s1 725849040 RRRXVTIPNMDOKJ-UHFFFAOYSA-N 430.595 4.441 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN1c1ncnc2sccc12 728514185 UBYRMGIZSBBEBS-OAQYLSRUSA-N 435.597 4.309 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 728950677 YASPCGQRQKADPF-ZDUSSCGKSA-N 434.418 4.166 10 20 IICD CC(C)OC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 733049404 AGRRCBCNVVXTNG-UHFFFAOYSA-N 437.500 4.166 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCc3ccc(F)cc3)C3CC3)cc2F)C[C@@H](C)O1 735188450 YYHSOQSVYAUVER-HDICACEKSA-N 443.538 4.495 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)COC1CCOCC1 735250438 IFAPQCBCIWSBJP-HXUWFJFHSA-N 436.474 4.494 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)ccc1OC 740605654 UAGCNLUOQOPVRJ-UHFFFAOYSA-N 444.943 4.121 10 20 IICD COc1cccc(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC 742799883 DUJIVSVIQVOKLP-QGZVFWFLSA-N 434.483 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nnc(C(F)(F)F)s1 743079381 SHZCTYTYDSYTRN-UHFFFAOYSA-N 425.230 4.079 10 20 IICD CCSCc1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 743189129 GWBCJHFAPYSAFW-UHFFFAOYSA-N 442.629 4.282 10 20 IICD COc1cccc(CNC(=O)NCC2(c3ccc(Br)cc3)CCCC2)c1O 745834298 LZVBOJVUIHVRLO-UHFFFAOYSA-N 433.346 4.475 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC=C(c2ccc(O)cc2)CC1 745905971 UAFJSBUWHWVOCG-LJQANCHMSA-N 443.494 4.461 10 20 IICD CN1CCCc2cc(CNC(=O)NCc3cccc(NC(=O)c4ccccc4)c3)ccc21 746721607 FKKVCNHAOWNYLG-UHFFFAOYSA-N 428.536 4.321 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 748933804 JWHDRQLFSSKEKL-UHFFFAOYSA-N 433.511 4.453 10 20 IICD C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(Br)c(F)cc1O 756461788 VSRSHHIVYCPRSO-CWTRNNRKSA-N 437.309 4.262 10 20 IICD C[C@H](N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756611578 TZRVOWWZNJCHML-RCDICMHDSA-N 444.484 4.283 10 20 IICD CC(C)C[C@H](N[C@@H](C)c1cc(Br)c(F)cc1O)C(=O)Nc1nccs1 756782056 LMMZVVJULAZAEL-HZMBPMFUSA-N 430.343 4.454 10 20 IICD COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760188782 QZPRJRUCMOQUMH-QGZVFWFLSA-N 437.487 4.016 10 20 IICD CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 760659622 ZSKSLDXCLQTQSF-ZDUSSCGKSA-N 427.389 4.072 10 20 IICD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 762535851 HQKIPXNNBDWFJF-IBGZPJMESA-N 441.915 4.236 10 20 IICD C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 764899193 HQWGVRYKLWVXEY-FQEVSTJZSA-N 427.614 4.312 10 20 IICD C[C@H](Oc1ccccc1Br)C(=O)NCc1cccc(Br)c1O 765746099 DPENWCQQXFZMPZ-JTQLQIEISA-N 429.108 4.001 10 20 IICD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)cc1 765994579 PHZSESVDCGCHBA-HXUWFJFHSA-N 444.963 4.177 10 20 IICD CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 769542300 UCMYXYPLAQQXDH-OAQYLSRUSA-N 433.552 4.084 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)c2)CC1 771637703 UVGRKGSLFUDQEH-UHFFFAOYSA-N 437.588 4.309 10 20 IICD C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119554 ILUHLHWLIBUTQA-FDDCHVKYSA-N 427.976 4.018 10 20 IICD C[C@@H](NCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775254189 INSGWMWFWCWKQX-AMGIVPHBSA-N 443.591 4.274 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3F)n2)cc1 781646036 HYFIVFPAXCOVGE-UHFFFAOYSA-N 447.557 4.127 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C1CC1 783315719 HRUZPLFFBIPYKP-KRWDZBQOSA-N 425.577 4.173 10 20 IICD Cc1cc(F)c(Br)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 789348242 SFPHGLDMRHSBIF-UHFFFAOYSA-N 436.325 4.397 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 797639551 FUEWWCWJILBQDJ-VIFPVBQESA-N 444.360 4.381 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c(F)c1Cl 811705801 RTOGFENORRWJIY-UHFFFAOYSA-N 448.875 4.008 10 20 IICD CC(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccccc1O 812248439 MYEGFGOMZHHNJZ-UHFFFAOYSA-N 446.555 4.234 10 20 IICD O=C(CSc1nncc2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 864237922 RIZGVXWMZAXXSZ-UHFFFAOYSA-N 425.469 4.136 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1 915141291 XEAQIRLQSAFXIG-UHFFFAOYSA-N 428.476 4.099 10 20 IICD CCCCn1nc(C)c(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1Cl 915852523 UXRSIGGXSKPDDH-SDNWHVSQSA-N 429.995 4.491 10 20 IICD O=C(NCc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 915884097 LAISHRQKDHEHKK-UHFFFAOYSA-N 427.854 4.195 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1OC1CCCC1 916689091 SHFVEDBVHXVVPU-UHFFFAOYSA-N 427.520 4.430 10 20 IICD CN(C)c1ccc(CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C2CC2)cc1 917073852 DLKXKNRHPFJVRG-QFIPXVFZSA-N 432.524 4.281 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3c(Cl)cccc3Cl)cc2F)C[C@@H](C)O1 917180568 CRPWMSNIWCFYMG-ZIAGYGMSSA-N 441.330 4.441 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3ccccc3COCc3ccccc3)CC2)cc1 917817833 QZTUHXYEQMNZKW-UHFFFAOYSA-N 445.563 4.173 10 20 IICD CC(C)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C(C)C)c1 918309554 ATJGRSQKIPFHJE-UHFFFAOYSA-N 437.584 4.367 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1 1261211657 DAHOTXUBUMIHCV-HNNXBMFYSA-N 443.345 4.086 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccsc3)C2)cc1 1843068157 IMVBXPLUTRMGTN-UHFFFAOYSA-N 433.577 4.215 10 20 IICD O=C(c1cccc2ccccc12)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501474 SDKXKRBNAPOEOC-UHFFFAOYSA-N 436.895 4.035 10 20 IICD CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 15134361 QXJQCUQQTNJCOO-UHFFFAOYSA-N 443.956 4.137 10 20 IICD CN(C)C(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 15291709 PLZCOXWMLPWRQT-UHFFFAOYSA-N 435.911 4.323 10 20 IICD CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O 59324516 QYKJSRDLBJFJHQ-VBKFSLOCSA-N 446.532 4.382 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1Cc1ccccc1 303084579 AUMBXVJZKBAEHV-DEOSSOPVSA-N 432.568 4.127 10 20 IICD Cn1ccc2c(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cccc21 727032476 UFLHDOJHPWUEQL-UHFFFAOYSA-N 432.446 4.355 10 20 IICD CCOC(=O)/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1nccn1Cc1ccccc1 727266834 HLOUIVDHURXMOT-LTGZKZEYSA-N 435.499 4.011 10 20 IICD CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 732823476 WHQHYSCGDBCRNX-JOCHJYFZSA-N 447.526 4.094 10 20 IICD O=C(N[C@@H]1CCCN(c2ccccc2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745825492 JLRBBVKWJLLFNN-RTBURBONSA-N 444.526 4.225 10 20 IICD COc1cc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CCC2)ccc1C 749498396 CRDYZHZDHJDEGP-OALUTQOASA-N 440.559 4.494 10 20 IICD COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 749758251 SCBNNSLRVGIUEP-OAQYLSRUSA-N 430.464 4.114 10 20 IICD O=C(NCc1ccc(OC2CCCC2)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 749932570 VTNPUQPDPFLSNI-UHFFFAOYSA-N 437.584 4.216 10 20 IICD CCn1c(/C=C\c2cnc3c(c2)c(C)nn3C)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 750903367 QWRLVDGBNHYUCR-YVMONPNESA-N 449.458 4.110 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)cs2)cc1 751930122 ASRZEACGFHXBDV-UHFFFAOYSA-N 435.427 4.130 10 20 IICD Cc1cc(-c2csc(NC(=O)c3cnc4c(c3)nnn4C)n2)c(C)n1-c1ccc(F)cc1 754011713 FJZWREPTDRPTPG-UHFFFAOYSA-N 447.499 4.286 10 20 IICD COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756382861 FHEMRDGFDWEMOF-QLJPJBMISA-N 430.726 4.210 10 20 IICD C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(Br)cc(F)c1O 756456160 CCOAHPLPFSMXGH-SGTLLEGYSA-N 437.309 4.262 10 20 IICD COc1ccccc1CC(=O)N1CCC(N[C@H](C)c2cc(Br)ccc2O)CC1 756509844 FSSFHPGZDXVPSP-OAHLLOKOSA-N 447.373 4.048 10 20 IICD CCC(CC)(C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759221481 RMUCLLBUXFDEPS-UHFFFAOYSA-N 426.557 4.119 10 20 IICD COc1cc2c(cc1NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)oc1ccccc12 759597376 YIOSOLLLPQFFEL-CLFYSBASSA-N 433.416 4.201 10 20 IICD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N(CC)CC)cc2)c1 760818064 NWUZZBSMNKLBMB-GOSISDBHSA-N 446.617 4.072 10 20 IICD CCOc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(Cl)c1O 762589270 JAEKTDMONIQNDC-IBGZPJMESA-N 432.948 4.332 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccco1 765533476 GIICVLRBFLIMTP-SFHVURJKSA-N 431.286 4.345 10 20 IICD Fc1cc(CN(CCCOc2ccccc2)C2CCOCC2)ccc1N1CCOCC1 768524414 OMPOSWHCQSONNN-UHFFFAOYSA-N 428.548 4.112 10 20 IICD CCC(=O)[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 773538607 OJTDIYRYHJVYJS-OVGFGYAMSA-N 436.624 4.090 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1(c2ccccc2)CCCC1 773616681 AAIVCIRYVVHJQI-UNMCSNQZSA-N 448.611 4.088 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 773744386 AQQSWJKZSWDSIN-CQSZACIVSA-N 433.439 4.315 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(C(F)(F)F)c1 774922547 IKBDDINNJPRRPT-HNNXBMFYSA-N 446.425 4.410 10 20 IICD C[C@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775253942 CRTLDWQXRWFWEN-INIZCTEOSA-N 436.383 4.139 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@@H](OCC(F)(F)F)C1 775653879 FCYOFKMWZNAPGI-LLVKDONJSA-N 447.089 4.461 10 20 IICD C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 778188901 UIEZGKYSGJKJEL-INIZCTEOSA-N 439.516 4.460 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 784112223 NXLIPXQTFKKUPD-UHFFFAOYSA-N 444.535 4.405 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3cc4ccccc4o3)cc2F)C[C@@H](C)O1 785524357 ZGNOZOVWAUCCAQ-KZNAEPCWSA-N 439.531 4.153 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 786873657 DIEPNVHSHKYUJJ-NSHDSACASA-N 428.919 4.271 10 20 IICD Cc1oc2c(CN3CCSC[C@H]3c3cnn(C)c3)c(O)ccc2c(=O)c1-c1ccccc1 790470847 SFAONEBLDKUMQG-NRFANRHFSA-N 447.560 4.498 10 20 IICD Cn1ccc2ccc(NCc3cc(Br)cc(Br)c3O)cc2c1=O 793619002 APPVLHWLEDUNHL-UHFFFAOYSA-N 438.119 4.381 10 20 IICD CC(C)COC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccco1 803393675 ZMKMDPCUIGWBHS-OAQYLSRUSA-N 442.556 4.177 10 20 IICD CCOC(=O)C(C)(C)c1csc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)n1 806822827 IYKZLVNHLGVHJY-UHFFFAOYSA-N 432.590 4.494 10 20 IICD Cc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C 806847285 DOZZFUVCUYDBCB-HXUWFJFHSA-N 433.552 4.369 10 20 IICD O=C(c1cc(Cl)ncc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 810368835 IRUMTDJXAXJSDR-ZDUSSCGKSA-N 425.710 4.025 10 20 IICD CN(C)S(=O)(=O)c1ccc(NNC(=S)Nc2ccccc2Oc2ccccc2)cc1 812259448 BDKRNPAEHCQMSK-UHFFFAOYSA-N 442.566 4.043 10 20 IICD O=C(N[C@H]1c2ccccc2CC12CCOCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 812564714 YHGCLPFCEGJPQZ-QPPBQGQZSA-N 436.552 4.177 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1 813792775 CGQDXHQZFKNSJR-JKSUJKDBSA-N 433.549 4.083 10 20 IICD Oc1c(Br)cccc1CNc1cc(N2CCOCC2)ccc1Br 864013350 UGCLDYGXRKZTGT-UHFFFAOYSA-N 442.151 4.366 10 20 IICD CC(C)CCOC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914900186 PNKUUCRYSAQUSS-NTEUORMPSA-N 428.373 4.240 10 20 IICD CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918429440 SKMAOOGUYKJJJG-HXUWFJFHSA-N 430.464 4.339 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc(COC(C)C)cc2)c(C)n1-c1ccccc1 920186734 XVJZAMNZJGKLFN-UHFFFAOYSA-N 433.552 4.317 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(CO)c2)c(C)n1-c1ccc(OC(F)F)cc1 921225987 VLQSJXWVJNTITK-UHFFFAOYSA-N 429.419 4.228 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2c1 1323110443 BOKPARRIIDTQSQ-KRWDZBQOSA-N 427.932 4.238 10 20 IICD C/C(=C\c1cccs1)C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788425536 ZXUWILOXEUATIO-NTCAYCPXSA-N 449.532 4.406 10 20 IICD COc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1OC(F)F 115773885 ZEBXUECOCLJSLA-UHFFFAOYSA-N 431.483 4.081 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)cc1 726561954 ASCYIDGDWBOMOS-UHFFFAOYSA-N 444.457 4.299 10 20 IICD CN(C[C@@H](O)COCc1ccccc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 732887083 LRODZYIJMMHLJU-RUZDIDTESA-N 439.600 4.175 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccc(Br)cn3)SC2=S)c1 733812708 CYCVWJDOHLKXGK-NVNXTCNLSA-N 434.340 4.208 10 20 IICD COc1ccc(OC(F)F)c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 735330109 ORMXAZVZXWFPMW-FRKPEAEDSA-N 437.445 4.431 10 20 IICD O=C(Nc1ccccc1)c1ccc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 737410771 MPCSIEBTTHOMLL-LJQANCHMSA-N 437.931 4.164 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 740801364 ZNROHSLOYXLRRU-OAQYLSRUSA-N 447.535 4.094 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 740919619 DGINOBSZMBYMEQ-UHFFFAOYSA-N 433.552 4.145 10 20 IICD COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 741269917 MVCGNUXHGZSPLL-UHFFFAOYSA-N 432.524 4.482 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742683412 OQKRWGQVMFWFOU-OAQYLSRUSA-N 436.383 4.058 10 20 IICD COc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743579604 RHOUXMOULHBKJP-DNVCBOLYSA-N 447.482 4.088 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 743807584 FDAYKHJYAKGOKT-LJQANCHMSA-N 434.330 4.375 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c(OC)c1 743840958 AVYOKDUGUFVBLL-DEOSSOPVSA-N 439.600 4.344 10 20 IICD COc1cccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 745702066 KRYCZIRFEASCIK-HNNXBMFYSA-N 437.471 4.353 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1c(F)cccc1F)C1CCCC1 745746832 BSAZILFKJCGWLR-UHFFFAOYSA-N 429.511 4.456 10 20 IICD C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 746318914 WBLBGXUWDHUNAN-NWVWQQAFSA-N 441.547 4.021 10 20 IICD CNC(=O)CC1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 746669420 ANJYXIAUUQTDBA-UHFFFAOYSA-N 435.490 4.144 10 20 IICD COc1ccc(N2CCCN(C(=O)CSCC(=O)c3ccc(Cl)cc3)CC2)cc1 747213257 KAWJJBWFCLXNBL-UHFFFAOYSA-N 432.973 4.003 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3 748174987 JIOSWOQWCJRASW-UHFFFAOYSA-N 442.610 4.092 10 20 IICD CC[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl 748961236 SXLUIOLBXCMEII-YLJYHZDGSA-N 431.964 4.394 10 20 IICD O=C(NCCc1csc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 753956060 UBHQCPAQICTPSL-NRFANRHFSA-N 437.565 4.449 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 757251874 RHNDLULZJLIFLM-UHFFFAOYSA-N 447.482 4.349 10 20 IICD O=C(NCCCSc1nccs1)NCC1(c2ccccc2Cl)CCOCC1 759581368 UITXBEYKNZVHDD-UHFFFAOYSA-N 426.007 4.326 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(F)cccc1F 763552697 CDBUTZCFAWNLSB-CYBMUJFWSA-N 428.401 4.240 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 764701149 NSYWAQWUFSCEJN-NBGIEHNGSA-N 444.019 4.209 10 20 IICD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 768076482 XHXKJQVMZYVDSR-UHFFFAOYSA-N 447.583 4.108 10 20 IICD O=C(CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1)Nc1ccccc1Cl 768198903 FSNKHXDQVPVRBL-UHFFFAOYSA-N 428.747 4.109 10 20 IICD CC1CCN(CCc2cccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2)CC1 772112761 NIRUOMSHWCMEPT-UHFFFAOYSA-N 441.959 4.289 10 20 IICD COc1ccc(N2CCN(CCN[C@H](c3cccnc3)c3cc4ccccc4o3)CC2)cc1 779395393 PDRSNKPPFAWISK-HHHXNRCGSA-N 442.563 4.338 10 20 IICD COc1ccc(Cn2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)n2)cc1 779509803 NNZFMSGLEXMDSI-UHFFFAOYSA-N 432.480 4.473 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(Cl)c(Cl)n1)c2[N+](=O)[O-] 782849624 VJPJZTVZQBOZCU-UHFFFAOYSA-N 442.214 4.324 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(SC)ccc1C 785196687 UIEPUUNBMOWDHT-UHFFFAOYSA-N 437.359 4.172 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3SCC=C(C)C)cc2)CC1 786656067 KKDBRBGVZTVJQO-UHFFFAOYSA-N 437.609 4.343 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1OC(F)F 787389636 YZFWMKPVXMSAEE-KRWDZBQOSA-N 445.510 4.114 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 801185873 CNCSWNMOOZBOQU-SECBINFHSA-N 434.208 4.120 10 20 IICD O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804542979 OZVCKVSXZABRLH-XUZZJYLKSA-N 446.547 4.432 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)[C@H](C)c1ccccc1 806870275 OPZIOSXROKKBJQ-PMACEKPBSA-N 433.552 4.183 10 20 IICD Cc1cc(C2CC2)nc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 813252946 BWRQXMHHGXSMEW-LFIBNONCSA-N 444.607 4.344 10 20 IICD CC(C)(CO)[C@@H](NCc1cc(Br)cc(Br)c1O)c1cccnc1 816637551 HRCJLKOMSMDQDE-INIZCTEOSA-N 444.167 4.162 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1Cl 915219723 RVGCFFOKOBNSDI-UHFFFAOYSA-N 449.941 4.158 10 20 IICD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918217780 MVKFLSQKEJAHFG-UHFFFAOYSA-N 426.319 4.311 10 20 IICD CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 920217856 XYBCNCNGPOIXMW-UHFFFAOYSA-N 446.507 4.406 10 20 IICD Cc1nnnn1[C@H](Cc1ccc(F)cc1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1327884255 GDIUYCBUSINDTE-JOCHJYFZSA-N 443.486 4.410 10 20 IICD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791322150 YEYOIRQAVCZGGZ-IKGGRYGDSA-N 435.524 4.067 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(Br)cc3)CC2)cc1 727057050 OABDALKINMBYJX-MRXNPFEDSA-N 432.362 4.441 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1Br 730567265 ROUHFQXAQIHPOJ-SNVBAGLBSA-N 440.225 4.407 10 20 IICD Cc1cc(-c2csc(NC(=O)C3=NNC(=O)C3)n2)c(C)n1-c1cccc(C(F)(F)F)c1 732261000 DSGYAHKUMFIICS-UHFFFAOYSA-N 447.442 4.051 10 20 IICD C[C@@H]1CCc2c(sc3nc(CCC(=O)NCCCSc4nccs4)nc(O)c23)C1 733973594 RCVWKFOEZVBEHV-GFCCVEGCSA-N 448.639 4.209 10 20 IICD O=C(NCC[S@](=O)Cc1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 735200562 WCVGCFMZIDUGJN-HKBQPEDESA-N 434.521 4.106 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 741060341 CWSYBMZYVTVDJB-UHFFFAOYSA-N 446.473 4.240 10 20 IICD Cn1ccc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc21 741909912 NEBPXYCIGSNAGU-UHFFFAOYSA-N 425.400 4.114 10 20 IICD C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)c1ccc(N2CCOCC2)cc1 742584203 WDVYJCUJNMKQLX-OAHLLOKOSA-N 442.466 4.006 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(c2ccccc2)CCOCC1 742801014 WNGIBOBQMNOSBC-IBGZPJMESA-N 430.495 4.121 10 20 IICD CS(=O)(=O)CCOc1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 743135044 JTCBGSIXTOTNIG-UHFFFAOYSA-N 446.569 4.182 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@@H]1CCc2ccccc2C1 743286054 ZPPQPTSXGXHSAU-JHRFGPFWSA-N 436.602 4.282 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccccc2-n2cccn2)cc1 743356131 FUQDMQOQKPRCOF-UHFFFAOYSA-N 429.524 4.443 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 743554513 HACKGXWJBBPQLO-LZLYRXPVSA-N 425.495 4.310 10 20 IICD COc1cccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)c2c[nH]c3ccccc23)c1OC 751529442 CGPIWGCDBILZEL-HXUWFJFHSA-N 446.503 4.467 10 20 IICD CC(C)C[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1 751937517 PMBFTAUPVDWEFF-HXUWFJFHSA-N 437.565 4.377 10 20 IICD COc1ccc(C2=NN(C(=O)CN(C)c3ccc(OC)cc3OC)[C@H](c3ccco3)C2)cc1 752122512 LMULARYQWCMVAA-QFIPXVFZSA-N 449.507 4.120 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CC2)cc1F 753838508 FLBIRILQMKPXIY-UHFFFAOYSA-N 435.503 4.252 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3OC[C@@H]3CCCO3)CC2)cc1F 753880471 GHBFRWUJPMJVDP-IBGZPJMESA-N 443.519 4.055 10 20 IICD Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC(C)(C)C)c1 753920956 JGYFMRRKCLJTGD-UHFFFAOYSA-N 425.573 4.351 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)cc2F)C[C@@H](C)O1 754158665 GTKVXPZPQHPKJB-PRHHBONVSA-N 426.536 4.127 10 20 IICD COc1ccc(C[C@@H](C)CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 761671225 ZKBWXROOIOVCDG-UXHICEINSA-N 425.573 4.113 10 20 IICD O=C(NCCCOc1ccc2ccccc2c1)NCc1ccc(N2CCC(CO)CC2)cc1 762274090 XYXRBSKDRBDQOK-UHFFFAOYSA-N 447.579 4.317 10 20 IICD COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 766238049 OFTMLMXZVVHKCO-WMZOPIPTSA-N 433.499 4.272 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 767314166 VPZRMSVJLWIHAA-HTAPYJJXSA-N 429.948 4.021 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)N(C)C[C@H]2C)sc(C)c1-c1ccccc1 768762985 FYCFGGQWYGJGAD-DLBZAZTESA-N 443.613 4.253 10 20 IICD CCOc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(O)c1 769218412 RYWBPRQDKFEXST-UHFFFAOYSA-N 433.346 4.404 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 770265126 HEZXOTHDTSPQAR-UHFFFAOYSA-N 445.273 4.067 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1 773428376 IPWJGIUCQKZYGB-VGSWGCGISA-N 432.406 4.067 10 20 IICD C[C@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc(N2CCOCC2)c(F)c1 777236988 KLJCUTVPZBHPRB-SFHVURJKSA-N 434.515 4.160 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccccc1OC(F)F 787872104 SAWYIJKYCYCJQS-FQEVSTJZSA-N 447.526 4.359 10 20 IICD Cc1sc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nc1-c1ccccc1 790639094 LLGHHCYWWAKFRK-UHFFFAOYSA-N 448.482 4.353 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)CCOc1ccccc1 791246590 OLLDRSVYTBBHGC-LJQANCHMSA-N 426.557 4.480 10 20 IICD Cc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccn2)cc1 792041964 YAEFRODPQJSKCG-AREMUKBSSA-N 444.579 4.188 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 793023007 BNESXKDIVALMJP-SFHVURJKSA-N 429.870 4.266 10 20 IICD CC(=O)c1cc(N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1F 794741272 NHSLRMMVXXYINY-CYBMUJFWSA-N 430.435 4.243 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cc2)CC1 797437384 XGUHBUDFNVGAKI-UHFFFAOYSA-N 449.486 4.077 10 20 IICD C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 797822656 WAMCYWGEXPRBMX-GFCCVEGCSA-N 433.332 4.009 10 20 IICD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 808266667 RAUMXTZMGLMXMB-HZPDHXFCSA-N 435.490 4.038 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 813802960 WQOSHXAGJXMIHZ-HXUWFJFHSA-N 430.593 4.074 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 915320728 WVOSSKPGURXMEI-HDICACEKSA-N 445.633 4.262 10 20 IICD Cc1cc(-c2csc(NC(=O)Cn3ccc([N+](=O)[O-])n3)n2)c(C)n1-c1ccc(F)cc1 916738040 POVJJJYQWBJMJK-UHFFFAOYSA-N 440.460 4.100 10 20 IICD Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 917381266 ZKINUNUWAWFDBL-UHFFFAOYSA-N 448.485 4.438 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(CC(F)(F)F)CC3)c2C)cc1 919165862 QIGFSHGHFCOBBL-UHFFFAOYSA-N 436.474 4.403 10 20 IICD O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(N2CCOCC2)cc1 919767783 WDFGIRYRZYSGKV-UHFFFAOYSA-N 425.916 4.081 10 20 IICD Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1116584314 DLUTWZMLVXXGJF-SFTDATJTSA-N 443.632 4.116 10 20 IICD C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(N(C)C)cc1 1320720278 QZUSEVKGGUISST-CYBMUJFWSA-N 431.309 4.331 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(NC(C)=O)c(F)c3)sc2C)cc1 1322334366 POZTVLNUCSKGTI-UHFFFAOYSA-N 435.502 4.025 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1)c1cccnc1 1787305522 DHFNMWLZAVJNEG-UHFFFAOYSA-N 437.883 4.208 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1cccs1 1816345825 RNUMXTLRUAJJJQ-AWEZNQCLSA-N 446.916 4.156 10 20 IICD CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13362987 DRGOFHGHZLDEFM-UNOMPAQXSA-N 449.557 4.388 10 20 IICD CCN(CC)c1ccc(CNC2CCN(C(=O)Cc3ccccc3OC)CC2)cc1F 236957861 AEEAZQBXTHJZPN-UHFFFAOYSA-N 427.564 4.004 10 20 IICD CCn1cc(-c2n[nH]cc2C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cn1 434371540 DZKISVQJTOPGRC-UHFFFAOYSA-N 426.318 4.138 10 20 IICD CCC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(=O)N1CCc2sccc2C1 471810249 NWGFAHLNLAILDJ-LJQANCHMSA-N 438.597 4.101 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cn2)cc1 472763196 ACOGCRSSXQFLFH-UHFFFAOYSA-N 428.492 4.237 10 20 IICD Cn1ccnc1[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(F)c1 726086616 LRDZWQOUKNEEAZ-QFIPXVFZSA-N 434.471 4.359 10 20 IICD COc1cccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)c1OC 726627726 UKVSICMKYCVJBD-CYVLTUHYSA-N 428.579 4.432 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 727477584 IKZRIVSCRHGVAJ-AOMKIAJQSA-N 447.938 4.160 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3Br)cc2)CC1 731131507 LPKDNPVIIHAEGR-UHFFFAOYSA-N 448.336 4.079 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(F)F 735329841 MSEYMHWSLPCISK-FRKPEAEDSA-N 437.445 4.431 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccco3)cc2F)CC1 737049043 IHPAKBBQIWRTEX-QFIPXVFZSA-N 428.552 4.388 10 20 IICD Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 739768337 OWONFIZYAGFOPJ-UHFFFAOYSA-N 441.531 4.180 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)CC2)cc1 740924588 XTGCPUANOLKWGC-UHFFFAOYSA-N 441.528 4.100 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 741097039 JENSEHGEQHZULD-UHFFFAOYSA-N 445.494 4.036 10 20 IICD CCn1nc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C 742132916 YLYZAYCJTHJIOM-RVDMUPIBSA-N 434.612 4.201 10 20 IICD CCCOc1ccc(CCC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 742645043 KGGZSKMIGSHSQS-UHFFFAOYSA-N 427.564 4.005 10 20 IICD C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 743557495 MITUAIGWYMKNJD-GOEBONIOSA-N 434.443 4.225 10 20 IICD Cc1ccc([C@H](NC(=O)NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)c(C)c1 745790187 VJUJZGAMABMVBC-HSZRJFAPSA-N 438.549 4.001 10 20 IICD CC(C)[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc(C2CC2)no1 745798751 KMTMYRCCKRQVAX-CRAIPNDOSA-N 449.502 4.214 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cncc(Br)c3)sc2C)cc1 747858213 QIWLVLRXXPGLOV-UHFFFAOYSA-N 440.344 4.085 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1Cl 748091981 VBVIHRLLVXICBZ-UHFFFAOYSA-N 425.894 4.362 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c1 749009822 KDWKYGJCMXMEJS-UHFFFAOYSA-N 430.479 4.046 10 20 IICD COc1cc(C2(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CCC2)ccc1C 749498400 CRDYZHZDHJDEGP-RTBURBONSA-N 440.559 4.494 10 20 IICD C[C@H](CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 749776241 FXEGVYUKPVYSKD-HXUWFJFHSA-N 447.558 4.142 10 20 IICD Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)C 751082022 OCXARKLHKYDIRI-NFBKMPQASA-N 436.600 4.283 10 20 IICD O=C(NCCOc1ccccc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752235819 XHRWFLYJODVVHI-UHFFFAOYSA-N 439.890 4.288 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)cc1 752783009 DWNSZZFYCZOMPR-UHFFFAOYSA-N 433.556 4.024 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3nccs3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752830209 FLYQSURXLRENRH-LJQANCHMSA-N 448.596 4.482 10 20 IICD C[C@H](NCCc1cn2c(n1)CCCC2)c1cc(Br)cc(Br)c1O 756401388 HUBRZNZDGOJWEF-NSHDSACASA-N 443.183 4.343 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)n1 760098134 YALCSYYUWNWZCD-UHFFFAOYSA-N 432.524 4.154 10 20 IICD C[C@H](Cc1cccc(Br)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761127692 PRHFOTFOFZSRIV-GFCCVEGCSA-N 437.721 4.204 10 20 IICD CC(C)Sc1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 761677872 YAYQWQCAECNUBP-GOSISDBHSA-N 426.586 4.211 10 20 IICD C[S@@](=O)Cc1ccccc1NCc1cc(Br)cc(Br)c1O 762791325 PJFRJJBGXJOLPO-OAQYLSRUSA-N 433.165 4.408 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](C)Cc3ccc(Br)cc3)CC2)cc1 765760873 OIBHXCOLZIKQJR-MRXNPFEDSA-N 431.374 4.422 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCc2cccc(F)c21 769597305 QBXQQSQPBGAROY-VBKFSLOCSA-N 432.567 4.458 10 20 IICD Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(-c2ccccc2)n1 771824629 OEWTUCMCTGYOPH-UHFFFAOYSA-N 430.474 4.232 10 20 IICD O=C(NCc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 774800427 ORVUZRAIZOJORZ-UHFFFAOYSA-N 434.458 4.389 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2)CC1 776302970 YJGVRBMWRGVDCO-UHFFFAOYSA-N 428.535 4.124 10 20 IICD CCc1nnc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2)o1 782896178 LIKWPOUDQCQSKC-UHFFFAOYSA-N 448.523 4.305 10 20 IICD CC(C)(Sc1ccc(Br)cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1 783731848 ZJJFBEKTAPRJOK-UHFFFAOYSA-N 425.300 4.157 10 20 IICD Cc1c([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)oc2ccccc12 790238705 UVBLLDULOYETBH-PKOBYXMFSA-N 434.540 4.003 10 20 IICD O=C1/C(=C/c2ccnn2-c2ccc(F)cc2)SC(=S)N1c1ccc2c(c1)OCO2 794861240 FNIWMYFXTASRJW-ZDLGFXPLSA-N 425.466 4.146 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCSC4(CCOCC4)C3)cc2Cl)C1 799994151 NMVMQCWRSRPAMM-KRWDZBQOSA-N 438.037 4.384 10 20 IICD COc1ccc(N(Cc2noc(CNC(=O)OC(C)(C)C)n2)Cc2cccs2)cc1 800354194 MCYMOZAOQSXBOX-UHFFFAOYSA-N 430.530 4.371 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 808095877 XFZQHVMOYLQWLI-UHFFFAOYSA-N 428.382 4.152 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 812010120 VJCKIKCOTVGQRG-VQTJNVASSA-N 427.549 4.204 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc(OC)c1OC(C)=O 814292963 CIFCDAXOYSSQPT-IRVOQCMOSA-N 435.567 4.409 10 20 IICD O=C(CN1CCOCC1)Nc1ccc(N[C@@H](CCc2ccccc2)c2ccccc2O)cc1 815610163 CXVDMDXAOZYBAP-VWLOTQADSA-N 445.563 4.449 10 20 IICD O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857472004 DKUWKXFRVRFWTF-QGZVFWFLSA-N 442.865 4.268 10 20 IICD Cc1sc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(C(=O)OC(C)C)c1-c1ccccc1 913193590 SQZAFPUPRMZRHW-OAHLLOKOSA-N 435.567 4.052 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc(OC)c1OC 913517373 UVGMPDGXYIJLQK-VCHYOVAHSA-N 444.534 4.077 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1 914788031 PQBABDTVDSVKAV-KRWDZBQOSA-N 434.483 4.106 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1 916686895 UAEDJZOWOBPUCP-HUUCEWRRSA-N 439.491 4.119 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)/C=C\c3nc4ccccc4s3)cc2F)C[C@@H](C)O1 917711236 RPCLQAGXIZPESE-SBKIPFDTSA-N 425.529 4.379 10 20 IICD O=C(COC(=O)c1ccc2c(c1)OCC(=O)N2)Nc1ccc(N=Nc2ccccc2)cc1 918055331 WRGULHJDESFNEJ-UHFFFAOYSA-N 430.420 4.228 10 20 IICD O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295193 OCEADJCUNCIWJB-OAQYLSRUSA-N 448.494 4.345 10 20 IICD COCCCOc1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 919775661 WJMFEVZLGBZAEX-ROUUACIJSA-N 445.535 4.176 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 1252409290 DSFZMYJXDYUYRT-UHFFFAOYSA-N 441.881 4.278 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 27245930 DVGMGUOKXBEEMN-UHFFFAOYSA-N 435.597 4.021 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 110463362 ACKKEXIBQPKQEA-UHFFFAOYSA-N 448.894 4.315 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)C1 727788842 RYTURRVWMCAGEX-BHIYHBOVSA-N 446.378 4.115 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3cccc(N4CCOC4=O)c3)ccc21 728470375 KSWKCWJFHGIILJ-KRWDZBQOSA-N 435.524 4.352 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 728638930 NFTMLXVYRYVYEZ-WMZOPIPTSA-N 440.515 4.466 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 733321134 NUXONTBNHQDPND-NRFANRHFSA-N 433.474 4.078 10 20 IICD O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735515846 AJZZOGYYAXDMKE-QGZVFWFLSA-N 438.505 4.066 10 20 IICD FC(F)Oc1ccc(N2CCC(Nc3ncccc3I)CC2)cc1 740868411 KLSZWNWUTYXZBT-UHFFFAOYSA-N 445.251 4.369 10 20 IICD CCOc1ccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 741711858 ORWRUVWWEDVTQY-UHFFFAOYSA-N 426.517 4.054 10 20 IICD CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742805601 MUSNKURUKJDPLY-LJQANCHMSA-N 446.494 4.435 10 20 IICD CC(=O)Nc1cccc(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743016227 UTVOKPFMQBFDHY-QGZVFWFLSA-N 434.512 4.202 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccc(CCC(C)=O)cc1 743808816 FSSUKBDTSWYGEY-UHFFFAOYSA-N 434.330 4.104 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H](CCCO)c1ccccc1 745837769 JOBTYDZRCXBCQV-GHTZIAJQSA-N 433.499 4.070 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC4CCC4)c(F)c3)cc2)CC1 748981704 OMLDRDJNGIYEDT-UHFFFAOYSA-N 439.531 4.248 10 20 IICD CC(C)[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(F)cc1 751931725 PPBAITRPWMPDQU-QFIPXVFZSA-N 441.528 4.126 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C 753884355 LCSRSSSEDMQHQH-UHFFFAOYSA-N 428.508 4.235 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 755986274 QJZIZTKZUHSRAN-UHFFFAOYSA-N 442.331 4.159 10 20 IICD CC[C@H]1CN(C(=O)NCc2ccc(N(CC)CC)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757010697 MDJXPKJHEKSEAO-FPOVZHCZSA-N 432.609 4.368 10 20 IICD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)NCCCSc2nccs2)CC1 759589677 DXTDCZJDPAXVRZ-UHFFFAOYSA-N 443.516 4.347 10 20 IICD Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1ccc(Cl)c(Cl)c1 763857572 ZOWANQBEKXLYBH-ZDUSSCGKSA-N 443.396 4.093 10 20 IICD CC(C)n1cc2c(n1)[C@@H](NC(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 765886162 KXUOTKXGGMZYJX-PXNSSMCTSA-N 447.530 4.411 10 20 IICD COc1cc(Br)cc([C@H]2Nc3ccc(Br)cc3C(=O)N2C)c1O 771098554 RBYGYKGJTPEFNV-HNNXBMFYSA-N 442.107 4.122 10 20 IICD CCOC(=O)c1c(NC(=O)CCN[C@@H](C)[C@@H]2CCOC2)sc(C)c1-c1ccccc1 771815536 WFBFUXIJLFCNCS-MAUKXSAKSA-N 430.570 4.243 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2)CC1 771817669 BVLACHAJTMKTIZ-UHFFFAOYSA-N 432.543 4.120 10 20 IICD C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 773387658 HFXNXOCIGRVXFT-OAQYLSRUSA-N 431.580 4.431 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCOc1ccc(Cl)cc1Br 773739887 GGJVHWKAXOCGOF-LLVKDONJSA-N 428.710 4.030 10 20 IICD N=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(Cl)c3ccccc3c2O)N1)OCCCO4 774547545 OAQOLRRJPODAPF-HXUWFJFHSA-N 435.871 4.207 10 20 IICD COC[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c(F)c1 775379531 SPUORGZOJSXQSO-FQEVSTJZSA-N 430.417 4.298 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCC(NC(=O)OC(C)(C)C)CC3)cc2F)C[C@H](C)O1 779018261 ABPASZJBXDPPCN-BEEJXANESA-N 435.584 4.365 10 20 IICD O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 779507985 AUVLBLIUOIQVKJ-HFTQHKIXSA-N 435.307 4.438 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cn2c(n1)CCCC2 779790880 BXJSRBJKJUBRGS-UHFFFAOYSA-N 429.354 4.451 10 20 IICD COc1ccc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2n1 782895848 GEJOGZMLJYISQX-UHFFFAOYSA-N 433.508 4.249 10 20 IICD CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 783505209 NDIDNAVFGRWHAS-HXUWFJFHSA-N 443.632 4.125 10 20 IICD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784059231 HOFDIEBLLGOGCJ-UHFFFAOYSA-N 431.540 4.376 10 20 IICD COC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1 787003575 YSUQWECVWVNUBU-VWKPWSFCSA-N 449.954 4.280 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cn1 790106389 GRJDBAZTQFXCFL-JXAWBTAJSA-N 445.635 4.158 10 20 IICD Cc1nn(-c2ccccn2)c(Cl)c1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 796307233 IFQGSLDOHFDQIT-SFHVURJKSA-N 446.382 4.342 10 20 IICD CCOc1cc(-c2nnc(Sc3ncc([N+](=O)[O-])s3)o2)cc(OCC)c1OCC 799925409 MBAVOAFXIKUGRH-UHFFFAOYSA-N 438.487 4.449 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCCCSc3nccs3)C2)cc1 802243646 GEELDUUQPKTUHH-QGZVFWFLSA-N 447.630 4.177 10 20 IICD CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 808489219 INPAUWNFOSGIIV-ATVHPVEESA-N 444.443 4.335 10 20 IICD CNC(=O)c1cc(Oc2ccc(NCc3cc(Cl)cc(OC)c3O)cc2F)ccn1 811515992 OYKHGOOKTQDNCW-UHFFFAOYSA-N 431.851 4.352 10 20 IICD Cc1cc(C(=O)N(C)Cc2nncn2C(C)C)c(C)n1-c1ccc(Br)cc1 814166349 HNCMSPJUGRREHU-UHFFFAOYSA-N 430.350 4.301 10 20 IICD COc1ccc(NCc2ccc3ccccc3c2O)cc1S(=O)(=O)N1CCCCC1 816607465 UGTUUVNOXHCUKQ-UHFFFAOYSA-N 426.538 4.341 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)NCc3cccc(C(F)(F)F)c3)cc2F)C[C@H](C)O1 849091157 WJWNEZOXVDRZFB-GJZGRUSLSA-N 438.469 4.272 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)n1-c1ccc(C(C)C)cc1 849168575 TYYMQQIWDKKURR-UHFFFAOYSA-N 432.568 4.379 10 20 IICD O=C(CN1CCC(C(=O)NCC(F)(F)F)CC1)Nc1ccc(N=Nc2ccccc2)cc1 914576554 RMWRDGBYERGGBQ-UHFFFAOYSA-N 447.461 4.431 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c([N+](=O)[O-])c1 916109846 AHBDDVPLKOIWJG-UHFFFAOYSA-N 440.846 4.081 10 20 IICD Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917706743 LNJZDSPQBAMSPE-UHFFFAOYSA-N 439.556 4.262 10 20 IICD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918118940 WKDJLPWXWCAENM-FXAWDEMLSA-N 434.540 4.037 10 20 IICD Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1ccc(OC(F)F)cc1 918196012 INDCWPNINFSVSN-UHFFFAOYSA-N 431.464 4.468 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)C(=O)Nc1cccnc1 918273867 VWGAQCHQAUXDPU-IBGZPJMESA-N 442.441 4.332 10 20 IICD Cc1ccccc1C1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCOCC1 919921228 PSWUKOOZVDWUPR-UHFFFAOYSA-N 439.625 4.096 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)N4CCCCC4)c(Cl)c3)cc2F)CC1 1257211744 CEGVWBOCFYTPRN-UHFFFAOYSA-N 444.982 4.469 10 20 IICD CC1CCC(Oc2cc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)ccn2)CC1 1318475791 IGPBVSNUHNVBPQ-UHFFFAOYSA-N 426.580 4.220 10 20 IICD C[C@H](NCc1cccc(OCC(F)(F)F)n1)c1ccc(N2CCOCC2)cc1Cl 1339382255 LWPOWFZMQJBQOP-AWEZNQCLSA-N 429.870 4.364 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)n2cccc2)C3)cc1 1800515343 MADIWFNYHPSMTK-INWJIATQSA-N 444.579 4.409 10 20 IICD Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1F 1848345330 CEMXBYRLVCITPL-ZEQRLZLVSA-N 446.526 4.066 10 20 IICD Cc1cnc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1 11480994 YSEPDACNWKMJEJ-OAHLLOKOSA-N 429.423 4.222 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCCOc1ccccc1 11642049 ORPILMMUQHQKPN-NRFANRHFSA-N 437.565 4.016 10 20 IICD O=C1c2ccccc2C(=O)N1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 29071312 WKILIYGWNMUOOU-SFHVURJKSA-N 433.533 4.117 10 20 IICD COc1ccc(N2CCCN(C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)cc1 227072862 QFFSCNBTJDUAPK-YUOVDFJASA-N 447.417 4.468 10 20 IICD Cc1c(Br)cccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 727037178 JOXIXHXNDMOPLN-UHFFFAOYSA-N 443.297 4.224 10 20 IICD COC(=O)CSCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 728696353 WKTDHCCXCBUOLE-HXUWFJFHSA-N 444.553 4.012 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1O 729561877 XJYAQVBPPXYJRE-UHFFFAOYSA-N 431.920 4.438 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2)CC1 731016890 SVOVAYPGHIWTSD-UHFFFAOYSA-N 447.623 4.411 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 731048043 DRFLQOMMDPEADI-OAQYLSRUSA-N 444.620 4.369 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc2)CC1 731131417 HFAVXARPLQHBFV-UHFFFAOYSA-N 448.611 4.414 10 20 IICD COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(O)c(C(C)(C)C)c1 732525802 MMXQHDSXYMVSMO-UHFFFAOYSA-N 440.540 4.278 10 20 IICD Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1 733171779 XZCVRAUOGCSDHM-UHFFFAOYSA-N 425.964 4.428 10 20 IICD CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl 734535996 YEMQPKQZBIKYSU-XMSQKQJNSA-N 442.991 4.238 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2F)C[C@@H](C)O1 734857465 GXBQYICJHWZXOF-VOMKJEOTSA-N 433.474 4.073 10 20 IICD C[C@H](Oc1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 741097315 ODCFBPKLDWHLCK-FQEVSTJZSA-N 441.531 4.458 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(N2CCNC2=O)ccc1Cl 742040739 DNBAMQDAMONYPV-UHFFFAOYSA-N 426.948 4.132 10 20 IICD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742423531 NZIITCNBKYCFKH-OAHLLOKOSA-N 446.454 4.169 10 20 IICD O=C(c1cc(N2CCNC2=O)ccc1Cl)N(Cc1ccco1)Cc1ccccc1O 743429767 AMLBVZDHSIGJSY-UHFFFAOYSA-N 425.872 4.011 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 748705343 HKTZUQOMOGPVQE-XMMPIXPASA-N 431.536 4.133 10 20 IICD COc1ccc(CCN[C@@H](C)c2cc(Br)c(F)cc2O)c(OC)c1OC 756535018 MVPIHUNYXXHXIT-NSHDSACASA-N 428.298 4.213 10 20 IICD COc1cccc([C@H](O)CN[C@@H](C)c2cc(Br)cc(Br)c2O)c1 756563800 NDGREKBRRSQWGH-MGPLVRAMSA-N 445.151 4.310 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1Br 758162499 MXAOXTGAYIXUFD-UHFFFAOYSA-N 442.074 4.171 10 20 IICD COc1cc(N2CCN(C(=O)c3cc(C4CC4)nc4ccccc34)CC2)cc(OC)c1OC 759222425 YXVCBMLMNUZMSD-UHFFFAOYSA-N 447.535 4.100 10 20 IICD C[C@H](O)C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 759583067 HVWIZRIIDUVKAZ-YSIASYRMSA-N 447.526 4.111 10 20 IICD COc1cc(N2CCN(Cc3csc(Nc4ccccc4)n3)CC2)cc(OC)c1OC 759885253 BSQUPCMSAYBBEN-UHFFFAOYSA-N 440.569 4.235 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCCC2 760713271 DFWURRPCWJOCFW-QGZVFWFLSA-N 425.548 4.226 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Oc2cccnc2)c(F)c1 761152256 SUPCOFVMVMQWLV-UHFFFAOYSA-N 441.846 4.336 10 20 IICD O=C(NCCc1ccc(N2CCCCC2)cc1)NCc1cccc(Br)c1O 764762517 HBVNWICGSRPSLS-UHFFFAOYSA-N 432.362 4.187 10 20 IICD COCCCn1c(Sc2ncc(Cl)s2)nnc1-c1ccc(OC)c(OC)c1 765001390 VTHXNDWYNPVKHI-UHFFFAOYSA-N 426.951 4.260 10 20 IICD C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765645262 RNFRXPSEUKOYPV-JPYJTQIMSA-N 430.543 4.152 10 20 IICD COc1cc(N[C@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc(OC)c1 769021607 IAEOLGUJFSUARA-FQEVSTJZSA-N 438.572 4.090 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(CCN2CCCCC2)cc1 771919547 LHPLHYCWKCCOPO-UHFFFAOYSA-N 427.932 4.043 10 20 IICD CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 775261627 WOCGFPXIGCEOET-IAGOWNOFSA-N 435.524 4.150 10 20 IICD COc1cc(OC)cc([C@@H](NCc2cc(Br)cc(C)c2O)c2nccn2C)c1 777446085 TWSBEJFAGPAMAZ-LJQANCHMSA-N 446.345 4.093 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1O 779014534 WVNWEGIEWRQMQG-NVXWUHKLSA-N 446.389 4.016 10 20 IICD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 779512473 BVXCCFARGXBYDI-BENRWUELSA-N 429.476 4.340 10 20 IICD Cn1cc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccc(Cl)cc21 780710806 SIHZQVORVVBYFO-HXUWFJFHSA-N 441.959 4.471 10 20 IICD COc1cc(Cl)cc([C@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)c1O 781866656 XFKXYYSGIVAAGR-IBGZPJMESA-N 447.919 4.145 10 20 IICD O=C(Nc1cc(F)ccc1OC(F)F)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896697 STFKCXAMYZYMST-UHFFFAOYSA-N 436.430 4.433 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 784025858 LOGQLUWVNOMKLC-UHFFFAOYSA-N 431.536 4.406 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1Br 784028544 SVGONVSEPBGUOH-UHFFFAOYSA-N 425.710 4.185 10 20 IICD COc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC(F)F)c1 789815931 JYZSMPVJKJMYMD-HNNXBMFYSA-N 440.874 4.050 10 20 IICD COc1ccc(CNC(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)c(O)c1 797638914 XTTIVEJEWGUHAO-UHFFFAOYSA-N 445.317 4.194 10 20 IICD CCn1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C(F)(F)F 799260882 CXUPKMGNRJIMAJ-CQSZACIVSA-N 445.445 4.237 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(O)(C(F)(F)F)CC1 801876574 RDHGVZKXLHZCOR-UHFFFAOYSA-N 433.478 4.266 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCCSc1nccs1 806281234 RBGITIGHBZCBND-QGZVFWFLSA-N 445.635 4.212 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 809193938 HIZFLXPLVWQOFS-ZEQRLZLVSA-N 433.596 4.163 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1[N+](=O)[O-] 815835638 ZVIWMESOTKWAME-KRWDZBQOSA-N 431.920 4.012 10 20 IICD Cc1sc2nc(CN3CCN(Cc4ccc5ccccc5c4O)CC3)nc(O)c2c1C 816482808 UKDUJHBGSZOHIY-UHFFFAOYSA-N 434.565 4.190 10 20 IICD Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccn1 916128232 QGAOXJWKCDHXRH-UHFFFAOYSA-N 447.417 4.258 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(Cl)c3-n3cccn3)CC2)cc1 918039334 HUNVLJHDGSSOSR-UHFFFAOYSA-N 425.920 4.279 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccccn2)nc2ccccc12 918138739 QZPVONSAILYOOZ-UHFFFAOYSA-N 442.494 4.203 10 20 IICD CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918207450 ZZPFPNPKDVKSEZ-KRWDZBQOSA-N 429.536 4.134 10 20 IICD CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220583 ZHPAYKBOKPKTKU-UHFFFAOYSA-N 429.580 4.145 10 20 IICD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(N3CCOCC3)c2)cc1 918371015 ASPHVJUMNSLZHP-UHFFFAOYSA-N 449.463 4.485 10 20 IICD Cc1nc2cc(F)cc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2nc1C 919897191 MMLYSHFIJVBAFA-UHFFFAOYSA-N 433.531 4.170 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1Cl 1116403159 GHLOYHBBNPFPJW-HNNXBMFYSA-N 435.355 4.325 10 20 IICD CCOc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 1319380775 KYCQQWRKQFNVIZ-UHFFFAOYSA-N 440.931 4.070 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1)c1cc(O)nc(O)c1 1788429015 LZAGXKFYKNMRCC-UHFFFAOYSA-N 443.503 4.432 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 105375093 HUJDVVJHQNWBPE-INIZCTEOSA-N 432.362 4.188 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCc4c(ncn4-c4ccc(F)cc4)C3)ccc21 510778359 IABRELHVCAJESE-UHFFFAOYSA-N 446.526 4.428 10 20 IICD COc1ccc(-c2ccc(CNC(=O)C(=O)NCc3c(C)c4ccccc4n3C)s2)cc1 554644395 JSUVKISBBYBRSZ-UHFFFAOYSA-N 447.560 4.156 10 20 IICD Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1Cl 726600102 BPBMDJNUXMUFOE-UHFFFAOYSA-N 430.904 4.197 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(OC2CCCC2)CC1 726720543 XGGYTJDETLFDAP-UHFFFAOYSA-N 437.531 4.390 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 728309217 MCKIPJGNFPIMJC-URXFXBBRSA-N 439.575 4.388 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1 731885337 OQGPFLLVLFDWNR-KRWDZBQOSA-N 427.545 4.208 10 20 IICD COCc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F 743598704 KPVQOCMMRACJDB-KRWDZBQOSA-N 437.462 4.042 10 20 IICD CCc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 745905442 NYGVXIRRKKLTJL-UZLBHIALSA-N 449.498 4.195 10 20 IICD O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(O)c(O)c1 745942066 ZGDRYGIFKPHKBI-UHFFFAOYSA-N 427.265 4.342 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 748981532 ZAFXWBSAKXFQKM-UHFFFAOYSA-N 439.531 4.344 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 750255362 JMUAHXZSFQTYBI-UHFFFAOYSA-N 449.551 4.045 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@H]([C@H]3CCOC3)C2)sc(C)c1-c1ccccc1 750261364 KYDAXFUZWUKARG-OALUTQOASA-N 442.581 4.197 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)cc1F 755836476 HPYOJIORCXQRKL-UHFFFAOYSA-N 437.475 4.116 10 20 IICD Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 759370565 ORHVKMZPSIZYQB-QFIPXVFZSA-N 449.595 4.002 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1cccc(Br)c1O 764782643 GRKLEAGWEAIJMM-PIGZYNQJSA-N 427.726 4.384 10 20 IICD O=C(CCCOc1ccc2c(c1)CCCC2)NCc1ccc(N2CCC(O)CC2)c(F)c1 765722105 TWPUXCWOFABGQQ-UHFFFAOYSA-N 440.559 4.141 10 20 IICD Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1-c1cccc(C(F)(F)F)c1 773006779 FVICYEJEAVHEDI-OAHLLOKOSA-N 444.457 4.117 10 20 IICD C[C@@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1ccc(N(C)C)cc1 773017798 FUNUGWFTPRLCPT-GFCCVEGCSA-N 449.374 4.437 10 20 IICD CN1C(=O)CCc2cc(/C=C3\SC(=S)N([C@H]4CCOc5ccccc54)C3=O)ccc21 773896470 FYZBUMUUKUGYGU-YNGKYYQNSA-N 436.558 4.321 10 20 IICD COc1ccc(CC[C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC 774870041 QTINPTKQKFYHGP-GOSISDBHSA-N 430.501 4.314 10 20 IICD Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1-c1ccccc1 775493912 YAKHTHJRLIIKQQ-QGZVFWFLSA-N 426.467 4.087 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(C)cc4)cc3F)cc2)CC1 786254635 GIHSDVHGRJSGPC-UHFFFAOYSA-N 445.538 4.400 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)CC1 786656250 MSKJQJMQTHURGE-UHFFFAOYSA-N 439.987 4.137 10 20 IICD Cc1cc(C(=O)Cn2cnc(-c3nccs3)n2)c(C)n1-c1ccc(OC(F)F)cc1 786895554 RMMYDMSLKGMYFC-UHFFFAOYSA-N 429.452 4.293 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1F 789896319 ZEMBKYCOYFUCMC-SNVBAGLBSA-N 429.275 4.132 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2F)C[C@@H](C)O1 789958368 DCLYYKQIKVIUJQ-VXGBXAGGSA-N 445.844 4.437 10 20 IICD COc1cc(O)c(CN[C@@H](C)CCc2ccc(I)cc2)cc1OC 793328409 MVVYTILOIAQNDF-ZDUSSCGKSA-N 441.309 4.125 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3OC)n2)s1 795607071 OELAPRCTYRJXIR-UHFFFAOYSA-N 425.513 4.152 10 20 IICD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 799796835 VLCGGWRZHMCQFD-UHFFFAOYSA-N 440.569 4.128 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 799834805 IXFLUPZDWRWPLW-IBGZPJMESA-N 431.536 4.456 10 20 IICD COc1ccccc1[C@H](CO)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 799993250 FIHWHHGGQDAEPN-UZLBHIALSA-N 431.964 4.118 10 20 IICD COc1cc(Br)cc(CN[C@@H]2COc3cc(F)c(Br)cc32)c1O 800306333 LRRNNABBGRNKMB-CYBMUJFWSA-N 447.098 4.288 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CSc3nnc4ccccn34)cc2Cl)C1 800571225 HCXDPGHYCNJXDQ-OAHLLOKOSA-N 429.977 4.028 10 20 IICD COc1ccc(N2CCCN(Cc3cc(OC)c(OCC(F)F)c(OC)c3)CC2)cc1 809551050 OETIIVLUTRNYSZ-UHFFFAOYSA-N 436.499 4.069 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccc(C4CCC4)c3)CC2)cc(OC)c1OC 812993992 DQCNCZQMZSMFJI-UHFFFAOYSA-N 425.529 4.334 10 20 IICD CC(=O)NCCCNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916519387 FEJPUXKTWZYTAO-IBGZPJMESA-N 436.478 4.007 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 918081047 XFUPJNZQUZHDLB-KRWDZBQOSA-N 435.572 4.472 10 20 IICD COc1ccc(C(=O)CCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918633781 OIMKVVJXUNTRBI-QZTJIDSGSA-N 442.531 4.117 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)c(C)n1-c1ccccc1 920186585 UVGUQPULQLKPNV-UHFFFAOYSA-N 444.579 4.382 10 20 IICD C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 920881204 RVFJUGTUJYCAIN-SFHVURJKSA-N 439.556 4.290 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)C3CC3)[C@H]2c2cccnc2)cc1 1811272644 LIPMHUMRDVHZMB-NOZRDPDXSA-N 442.563 4.219 10 20 IICD COC(=O)c1cccn2cc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)nc12 71844553 IOGALGPVIXBHAL-LJQANCHMSA-N 448.548 4.456 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 209278562 VSDSKFILEAGWQT-LDADJPATSA-N 431.510 4.471 10 20 IICD CCc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1 216085799 LCERNDVLIGCSID-UHFFFAOYSA-N 435.593 4.410 10 20 IICD Cc1ccc(NC(=O)c2ccc(NCc3ccc(N4CCC(O)CC4)c(F)c3)nc2)cc1 301243444 OYQCXYAFEISNPV-UHFFFAOYSA-N 434.515 4.355 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(OC)c3)cc2F)CC1 303315016 PYHIZUOKOCCXLZ-QHCPKHFHSA-N 440.563 4.023 10 20 IICD CC(=O)NC1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 725908199 XUQNTTXTCGVERJ-UHFFFAOYSA-N 432.362 4.034 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cccc(COC(C)(C)C)c3)CC2)cc1 726190270 LMKWGWDVOFYFAK-UHFFFAOYSA-N 425.573 4.432 10 20 IICD O=C(Cc1csc(-c2cccnc2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565791 UZFYENRQDHWCDG-UHFFFAOYSA-N 444.507 4.134 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)c1 726625397 HFVAJZDWZQZLNX-XGTDKWECSA-N 443.546 4.442 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)CC2)cc1 726715386 PZPZNZKHMYYCNA-UHFFFAOYSA-N 433.556 4.130 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C3CCCCC3)cc2)CC1 731015447 XPBXVBLSNIYOND-QHCPKHFHSA-N 434.646 4.311 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCC(=O)Nc1cc(Br)ccc1C 731282323 LYVXUJPNHINOSI-UHFFFAOYSA-N 434.334 4.023 10 20 IICD Cc1cnc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2)o1 731404619 AKLLLCMJZZDJDZ-UHFFFAOYSA-N 432.524 4.141 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1 734693655 XMOXXMSXGKHBDD-UHFFFAOYSA-N 440.503 4.348 10 20 IICD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735520102 WAHFFKHPPXZQSM-SFHVURJKSA-N 439.493 4.245 10 20 IICD CCc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccccc1 742798923 DBVLUZVKRWHIBX-QGZVFWFLSA-N 440.494 4.435 10 20 IICD O=C(COc1ccc(F)c(Cl)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798930 DEVIDLSUCXHYEG-ZDUSSCGKSA-N 428.838 4.245 10 20 IICD CC(=O)c1cccc(OCCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742805600 MUSNKURUKJDPLY-IBGZPJMESA-N 446.494 4.435 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1CCc2ccccc21 745495606 HPNYXFBKZGAMHB-UHFFFAOYSA-N 432.362 4.139 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)COc1cccc(F)c1 745720778 NCKUITIUCJUNNW-ZDUSSCGKSA-N 425.298 4.293 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1[N+](=O)[O-] 750059524 JJTKCZWFWSEDLU-GFCCVEGCSA-N 425.819 4.248 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 750262533 ATIDQZOTASIBBT-KVJLEPHUSA-N 426.542 4.237 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-n2ccnn2)cc1 756809002 HTDRYENGXMVNQR-KRWDZBQOSA-N 439.479 4.499 10 20 IICD Cc1cc(N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n2nc(C(F)(F)F)nc2n1 759697183 OUYUDPYNKVQLGP-UHFFFAOYSA-N 430.434 4.317 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCC4(CC3)C(=O)Nc3ccccc34)cc2F)C[C@@H](C)O1 765124533 BCOJKMZWVPOKGC-YAMWSMBPSA-N 437.559 4.362 10 20 IICD Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)s2)cs1 765170847 DYZREMISNRUNOS-CQSZACIVSA-N 449.623 4.056 10 20 IICD COc1cc(C)ccc1[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765280918 LYHFMRHCHSPRHO-IBGZPJMESA-N 435.547 4.110 10 20 IICD O=C(CCOc1ccccc1Br)NCc1cccc(Br)c1O 765731223 HYJIIVBYWLJGBA-UHFFFAOYSA-N 429.108 4.003 10 20 IICD Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1ccc(Br)cc1 768378435 WDWOQXDAYLWXNE-RBUKOAKNSA-N 435.387 4.203 10 20 IICD CCn1c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nnc1-c1cnccn1 768413243 DGTRDLOWTROFMO-UHFFFAOYSA-N 436.516 4.277 10 20 IICD O=C(CN1CCCCCC1)Nc1cccc(NCc2ccc(N3CCOCC3)c(F)c2)c1 770545944 MYKLYRYWOOWJJZ-UHFFFAOYSA-N 440.563 4.089 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 774960074 REHIXAOAXZTLHR-LBPRGKRZSA-N 427.303 4.454 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 775628675 SPKROODRYGSMKS-MOPGFXCFSA-N 425.520 4.292 10 20 IICD CCN1CCN(c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)cc2)CC1 776804973 JMTTVIPMOWDDAR-IBGZPJMESA-N 429.008 4.492 10 20 IICD COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c(O)c1 792835509 ZWDHUBYVZQYFNY-NRFANRHFSA-N 437.565 4.061 10 20 IICD O=S(=O)(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccoc1 795286857 QNQDZETZHWRWHE-UHFFFAOYSA-N 447.321 4.188 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccoc4)no3)cc2Cl)C1 800048879 JJTGWTUDZAWXFV-HNNXBMFYSA-N 428.920 4.468 10 20 IICD Cc1cc(CC(=O)Oc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 803083015 LCAIKSHQNZHQTA-UHFFFAOYSA-N 431.941 4.440 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)N(Cc3cccs3)Cc3cccs3)ccc21 803685424 ADHYBLDMEPYHRM-UHFFFAOYSA-N 439.606 4.037 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804332547 LTGNQWLTPGVORA-YWZLYKJASA-N 435.490 4.462 10 20 IICD C[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 807624830 RULGGSQEBUOPBG-RDPSFJRHSA-N 429.564 4.073 10 20 IICD Cc1cccc([C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(C)(C)C)c1 807702806 FYOLHONAAWVZGA-JTHBVZDNSA-N 438.568 4.112 10 20 IICD Cc1cc(O)nc2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc12 808459256 HKMFHCGZWWYWFV-INIZCTEOSA-N 427.451 4.249 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 809196771 XFTKPYOXYCOEOE-IRLDBZIGSA-N 425.548 4.081 10 20 IICD CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1 812212766 ZRJAGTXMRRDBGK-LSDHHAIUSA-N 435.956 4.056 10 20 IICD CNC(=O)c1cc(Oc2cccc(NCc3cc(Br)ccc3O)c2)ccn1 813790091 DWZHFPWEKIGXLE-UHFFFAOYSA-N 428.286 4.314 10 20 IICD CN(C)c1ccc([C@H](CN[C@H](c2nc[nH]n2)C2CCCCC2)NC(=O)OC(C)(C)C)cc1 813863294 BMYWMQJGJVWHSG-SFTDATJTSA-N 442.608 4.348 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccn(-c2ccc(Br)cc2)n1 814303884 MAGKAMHFDFMKDS-UHFFFAOYSA-N 425.330 4.165 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Cc1cnc2ccccc2n1 815797374 NDZFMECTPULBPS-CQSZACIVSA-N 428.330 4.325 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c([N+](=O)[O-])c1 817971055 JQBSEZZSRDGPPK-UHFFFAOYSA-N 433.511 4.453 10 20 IICD C[C@H]1c2cccn2CCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914608322 XFVFSOFLBIWISO-ZSRMJVKVSA-N 431.608 4.134 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1 916713456 YKSHOEVLLAYURT-UHFFFAOYSA-N 427.501 4.046 10 20 IICD O=C1/C(=C\c2cnn(-c3ccc(Br)cc3)c2)SC(=S)N1c1cccnc1 917144533 HOPHKVGPAXJKAG-LZYBPNLTSA-N 443.351 4.436 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cc3nc(O)c4cc(F)ccc4n3)c2C)cc1 917267512 JSQASPRXTJDIMN-UHFFFAOYSA-N 433.439 4.094 10 20 IICD O=c1cc(CN2CCCc3cc(OC(F)F)ccc32)nc2ccc(Br)cn12 919804830 LOWDOZVTSMHNJR-UHFFFAOYSA-N 436.256 4.011 10 20 IICD Cc1cc(OCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl 919969715 XCBNCBLAXCUWJO-UHFFFAOYSA-N 434.939 4.224 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3nc(COC)sc3-c3ccccc3)CC2)cc1 1339886241 SFBOUKVVBUQIIA-UHFFFAOYSA-N 437.565 4.318 10 20 IICD COc1ccc(N2CCN(C(=O)COC(=O)c3sc4ccccc4c3Cl)CC2)cc1 3555558 HHJNXLUPPZLXGN-UHFFFAOYSA-N 444.940 4.069 10 20 IICD COc1ccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 108282683 PUYFJYSXECWCMD-IYBDPMFKSA-N 434.939 4.350 10 20 IICD CCN(CC)[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 111072182 NVKXSBWZAUNKAJ-GLDPYIMESA-N 427.564 4.139 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N3CCOc4cc(N(C)C)ccc43)ccc21 542953435 SBQIGBSEAPGMBD-UHFFFAOYSA-N 449.555 4.007 10 20 IICD COc1cc(CNCc2ccccc2O)ccc1OCC(=O)Nc1ccccc1Cl 725850888 DKPCBJVFWIQIPZ-UHFFFAOYSA-N 426.900 4.362 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1Br 727863539 DICRNHHVHLMTNV-MHWRWJLKSA-N 435.368 4.297 10 20 IICD O=C(NCCCSc1nccs1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 733880449 JCYSKXFMOSPXCQ-GOSISDBHSA-N 429.533 4.196 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)c1 734703624 RHRNIESYGVCNTL-UHFFFAOYSA-N 431.536 4.203 10 20 IICD COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCCCC1 740916742 BHCQTNPGJRDUNJ-XMMPIXPASA-N 434.584 4.098 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(N(C)C(C)=O)cc3)n2)cc1 743045928 GKBBIRGXDWHXEH-UHFFFAOYSA-N 433.580 4.316 10 20 IICD CC/C(=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 744468691 WSTUBLCQAJSWCR-WORNYLJVSA-N 425.960 4.152 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 751395340 GHBYVCSPEUUOQT-UHFFFAOYSA-N 429.564 4.401 10 20 IICD CCOC(=O)c1c(C)oc2ncnc(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c12 752632064 LEUMHHZCGMONCG-KBPBESRZSA-N 442.491 4.073 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N[C@H](c1ccccc1)c1cccs1 756337944 ZHRXULLUSSAYNU-PXDATVDWSA-N 436.577 4.341 10 20 IICD COc1ccc([C@@H](N[C@@H](C)c2ccc(F)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622408 WUYPUTMPEFADBY-NPMXOYFQSA-N 429.513 4.384 10 20 IICD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 756967548 AFHCLJDQHLQZKN-GOSISDBHSA-N 443.563 4.272 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)cc2)CC1 758679020 JZJHEIZOSRJXAJ-UKILVPOCSA-N 425.548 4.027 10 20 IICD O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 758713840 HZEWFARUCLLTDP-GIWBLDEGSA-N 428.504 4.142 10 20 IICD CCOc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765275935 ISUQEOZBBDHOOU-LJQANCHMSA-N 435.547 4.192 10 20 IICD C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238071 OZWXUGVUNNPNNN-GJZGRUSLSA-N 438.906 4.312 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772597430 FQNZFYHZPSRBLO-YPAWHYETSA-N 427.495 4.284 10 20 IICD C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1 773987754 HCJMHWVPLKKIME-SJLPKXTDSA-N 445.510 4.084 10 20 IICD COc1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Br)c1 776158762 UKOZNJRUFKAIIL-RDJZCZTQSA-N 446.389 4.010 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc(C(F)F)c4)n3)ccc2N1 780702646 BSKZOPVVIDJBLZ-UHFFFAOYSA-N 435.477 4.433 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc(Br)c3)c2)CC1 781045251 GIYMFHOCAQZNEK-UHFFFAOYSA-N 436.737 4.023 10 20 IICD COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1N1CCOC1=O 782784219 NZTWNAWXZQPOEE-UHFFFAOYSA-N 426.517 4.160 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(N)cc1 783487182 VPEXYPXIWMPHFN-HNNXBMFYSA-N 446.482 4.026 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(CCN3CCCC3)c2)cc1 784108531 ZNZCQSMSGXCXBF-UHFFFAOYSA-N 434.584 4.069 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1 784109163 RGFMRJONBPVXHB-UHFFFAOYSA-N 437.931 4.270 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)ccc1O 785622541 GIWNDWUIKSQMTR-UHFFFAOYSA-N 431.536 4.018 10 20 IICD Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)no1 785963128 AVMFOJKBQFPISE-UHFFFAOYSA-N 431.286 4.122 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)CC2)cc1 786065205 LPJGCZHVRIDEQR-UHFFFAOYSA-N 438.572 4.275 10 20 IICD O=C(NCc1ccccc1C(F)(F)F)C(=O)N(Cc1ccccc1O)C1CCCCC1 786682061 LXXZELPCCXJVQM-UHFFFAOYSA-N 434.458 4.389 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC(F)(F)F)cc1 788763825 ZZTSGZHTGIBGPI-UHFFFAOYSA-N 440.437 4.155 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(CC(F)(F)F)cc1 790639589 PUUPXXCBPXKJLV-UHFFFAOYSA-N 442.440 4.444 10 20 IICD Oc1c(Br)cccc1CNCc1noc(-c2cccc(Br)c2)n1 790945890 ONCGCMMQKDUQLB-UHFFFAOYSA-N 439.107 4.257 10 20 IICD COCCCC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 792049070 AHBPCTREZWCCAF-RDPSFJRHSA-N 425.573 4.441 10 20 IICD CC(=O)c1cc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F 794740497 KARNUZQMXRDLKV-ZDUSSCGKSA-N 430.435 4.243 10 20 IICD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 799247858 BKKAONCRNQCTON-UHFFFAOYSA-N 443.910 4.132 10 20 IICD CCOC(=O)Oc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 799953155 YDPYOOJJXJMETN-MRXNPFEDSA-N 434.439 4.222 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 800047685 OVNKHQXHDHFIFV-UHFFFAOYSA-N 442.924 4.074 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 802610252 XHEOEDPSGCQNLP-UHFFFAOYSA-N 446.551 4.359 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 802610777 QLRASEFTWJHYEG-UHFFFAOYSA-N 438.503 4.101 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1O 809780119 LZTARTMNNBVPAC-UHFFFAOYSA-N 443.500 4.287 10 20 IICD CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(Br)cc(Br)c2O)no1 810256302 XMLBMHFYFLRRPI-DTWKUNHWSA-N 449.143 4.249 10 20 IICD COc1cccc(C2(CNC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)c1 811919920 DKEFLGNCARHSEF-UHFFFAOYSA-N 445.510 4.296 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cc2c1OCO2 814268144 RIVRTKIPPZIYDW-GZTJUZNOSA-N 431.560 4.417 10 20 IICD CC(C)CCOc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1 814285231 GBZNVTYQTBGPJV-CAPFRKAQSA-N 434.627 4.035 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 914481799 SRLKKVHIFUWZIR-UHFFFAOYSA-N 435.597 4.179 10 20 IICD COC(=O)c1c(NC(=O)Cn2cncn2)sc(C)c1-c1ccc(Cl)cc1Cl 914526529 FOHYFTKJGYHWSD-UHFFFAOYSA-N 425.297 4.047 10 20 IICD O=C(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)Nc1ccc(N=Nc2ccccc2)cc1 914672278 WMHDZDAGSSQCFP-IRXDYDNUSA-N 448.401 4.041 10 20 IICD CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 916678032 CIVIPNFITCVNNE-CALCHBBNSA-N 442.535 4.356 10 20 IICD COc1ccc2cc(CN(C)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2c1 918223140 FISCJOFGFUQIQS-UHFFFAOYSA-N 437.515 4.166 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(-c2nc3ccccc3s2)o1 919790122 KUBSNLBRTCSRMS-UHFFFAOYSA-N 448.548 4.392 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1F 1318332590 SMZIYISOEVBQBZ-QHCPKHFHSA-N 438.547 4.329 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(C3CC3)on2)cc1 1847390681 OYFHYHMGWHFFRO-GOTSBHOMSA-N 444.535 4.089 10 20 IICD COc1ccc(N2CCN(Cn3nc(Nc4ccccc4OC)sc3=S)CC2)cc1 69005033 XLESULJARHHDQV-UHFFFAOYSA-N 443.598 4.215 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 248105365 ILZLVLQRRRHDQN-UHFFFAOYSA-N 439.581 4.485 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 726103205 LAFJDJTXQKPUEX-QUCCMNQESA-N 432.609 4.368 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(COC(C)(C)C)c1 726190742 YCAKAVISWWSIIH-UHFFFAOYSA-N 425.573 4.180 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cn1 726197548 UNCROKGCOYLPTL-MFOYZWKCSA-N 426.479 4.477 10 20 IICD COc1ccc(CN(Cc2ccccc2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 727177761 FWPONMWRHIRDJG-UHFFFAOYSA-N 445.563 4.444 10 20 IICD O=C1Nc2ccc(S(=O)(=O)Nc3nc4c(s3)COc3ccccc3-4)c3cccc1c23 727246252 KBTUJRROSYNJDR-UHFFFAOYSA-N 435.486 4.222 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 727251147 WNJLOGGFLITZOR-UHFFFAOYSA-N 426.878 4.190 10 20 IICD O=C1/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1CCc1cccnc1 727863786 JLYIYWVVOHCANG-KYYPIKSYSA-N 426.563 4.083 10 20 IICD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2ccc(N(C)C)cc2C)cc1 734467757 BMQUPMMLMJQUNS-UHFFFAOYSA-N 435.499 4.391 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc(C)c1OCc1ccccc1Cl 734880777 RYKWSPUUWNICCG-MFOYZWKCSA-N 446.981 4.222 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)NC(=O)OC(C)(C)C)cc1 742755019 ULKCGPWENPQYRJ-PZJWPPBQSA-N 441.597 4.152 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 742799448 AVDYCEMFMZSXEH-SFTDATJTSA-N 443.538 4.285 10 20 IICD CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742799593 CHPDCNANNWYYBB-GOSISDBHSA-N 446.498 4.217 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 743142342 ARPRKRZZIWVWSZ-INIZCTEOSA-N 433.455 4.174 10 20 IICD CCCNS(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 743212468 HRRVJHCJOBMJIO-UHFFFAOYSA-N 444.601 4.029 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N([C@@H]2CCOc3ccccc32)C1=O 743284102 JIMZKAXGAJVPJW-PZUDMAOCSA-N 443.546 4.437 10 20 IICD C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 743554629 JMBPBMDOBVOGAI-IRLDBZIGSA-N 433.474 4.071 10 20 IICD CSc1ccc(F)cc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 745647699 GTLFNCFODNOHMW-HUUCEWRRSA-N 435.540 4.300 10 20 IICD CCOC(=O)c1nc(-c2ccccc2)oc1CN(Cc1ccccc1O)C[C@H]1CCCO1 745983847 GQHBTFAZFNJPMB-HXUWFJFHSA-N 436.508 4.405 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)cc1F 752965566 JDTWSPNCJYEUJP-INIZCTEOSA-N 425.508 4.206 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCC[C@H](c2ccccc2)C1 753383598 PLNHOJRWIYHWLT-SFTDATJTSA-N 425.548 4.312 10 20 IICD C[C@H](NC[C@@H](O)COc1ccccc1)c1cc(Br)cc(Br)c1O 756395589 DFFCDQINZGNYFC-WCQYABFASA-N 445.151 4.008 10 20 IICD CC[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1ccccc1OCC(=O)N(C)C 756434046 TXTJGOBZDDTJJI-KSSFIOAISA-N 435.362 4.424 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1 758494915 XSBWAAJWFHDAHP-UHFFFAOYSA-N 431.561 4.422 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(NC(C)=O)cc(C(F)(F)F)c3)CC2)cc1 760379920 WNTUYVFQEBUCBX-UHFFFAOYSA-N 435.446 4.025 10 20 IICD COc1cccc(C=C2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 760744883 JUDPTPFDWVQMSY-FQEVSTJZSA-N 435.568 4.482 10 20 IICD COc1cc(Br)cc(CN[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1O 762554739 GAHSUCIXTODASB-SFHVURJKSA-N 436.737 4.429 10 20 IICD CCn1c(-c2ccc(F)cc2)nn(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1=S 765074205 CIKLUPZUKGUGFI-UHFFFAOYSA-N 445.539 4.167 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 767922014 CVQKINHQSGAZGC-HXUWFJFHSA-N 440.494 4.038 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1O 774877430 XJTLQIRIODZQDK-OAHLLOKOSA-N 444.875 4.392 10 20 IICD C[C@@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1Cl 779073334 PJGWRMSXGZNUTF-QGZVFWFLSA-N 435.996 4.394 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 779331474 GMYZVTCCPPEBPI-IBGZPJMESA-N 443.538 4.405 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c12 782321759 WRSLTZQDUIGGRU-IRXDYDNUSA-N 439.531 4.178 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(OC)c1 785542472 CCKWBCLFAYTODT-UHFFFAOYSA-N 438.914 4.060 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1cc(Cl)ccc1Br 797447238 UAXBNNHYBUEELH-UHFFFAOYSA-N 427.798 4.020 10 20 IICD Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 799186639 FEOQKAACYRISIC-UHFFFAOYSA-N 431.514 4.252 10 20 IICD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 799262533 YOVZSRZLUOVIER-UHFFFAOYSA-N 431.540 4.140 10 20 IICD CCOCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800637231 VLHVXZXGZZNKEQ-KRWDZBQOSA-N 443.975 4.368 10 20 IICD COc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC(F)F 805041943 IBCAUFDQIGKNMM-UHFFFAOYSA-N 435.254 4.351 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCO1 812434639 VKCUJGSMLWYWBB-FQEVSTJZSA-N 429.524 4.404 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc(Br)cc2O)cc1OC 877852555 CLTXYRWFZBMPGB-IBGZPJMESA-N 447.329 4.120 10 20 IICD Cc1sc2ncnc(SCC(=O)NCc3ccc(N4CCSCC4)cc3)c2c1C 917386318 UFNWPSFHXIAYBO-UHFFFAOYSA-N 444.651 4.270 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc(C(C)=O)cc3)c2C)cc1 919272697 FTOQNKXKFYNGHF-UHFFFAOYSA-N 447.487 4.052 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1[N+](=O)[O-] 919655205 UPOYGNMTSJETAM-UHFFFAOYSA-N 438.484 4.174 10 20 IICD Cc1cc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c(C)n1-c1cccc(Cl)c1 919985984 DSDDLSPQIXUXHZ-UHFFFAOYSA-N 439.943 4.145 10 20 IICD C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(N2CCOCC2)cc1 920872030 NDZGKXGRFWAAIK-LJQANCHMSA-N 436.556 4.032 10 20 IICD C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1 920888055 KAWSCJPKAZLLMZ-QGZVFWFLSA-N 435.549 4.328 10 20 IICD CC(=O)N(c1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c(=S)s1)C1CC1 22608642 OFXFWRGZLDOREA-UHFFFAOYSA-N 431.631 4.269 10 20 IICD O=C(Nc1ccc(Cn2cccn2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726700129 YESQCMLNPCZMAE-UHFFFAOYSA-N 441.482 4.323 10 20 IICD CC1CCN(c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cn2)CC1 727102329 ZGVNJSGHQWAITQ-KDURUIRLSA-N 440.563 4.001 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 727249016 OWAPCPBOUSCUSO-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)c1 729061467 FILCAEPYIRUQDH-SFHVURJKSA-N 432.520 4.392 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1cccc(Br)c1 729967940 ZPGPPHKQCNOKHY-UHFFFAOYSA-N 439.357 4.473 10 20 IICD CCc1nc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 732228454 NBSILNJPMCNQMR-KGLIPLIRSA-N 433.533 4.159 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)n(-c2ccc(C(F)(F)F)cn2)n1 734517832 OFUTVLHHZPPNDD-UHFFFAOYSA-N 432.450 4.291 10 20 IICD CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1C 734975449 FZOQJANQEXFNGF-UHFFFAOYSA-N 447.494 4.004 10 20 IICD CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517677 MTOTWDVXWSYZAV-QFIPXVFZSA-N 449.551 4.434 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc21 737137650 PYMHZBMEFLKOSY-UHFFFAOYSA-N 432.568 4.493 10 20 IICD C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCc2ccccc2C1 742551555 IEXFAWRUOWEWLF-QHCPKHFHSA-N 432.486 4.353 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(CC(F)(F)F)c1 743222413 RQYUYWBNRCNZRD-UHFFFAOYSA-N 425.426 4.213 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1CCc2ccccc2C1 745496115 ICVWYSNCRSMQLP-UHFFFAOYSA-N 446.389 4.135 10 20 IICD Cc1ccc(N2CCC[C@@H](NC(=O)N(Cc3ccco3)Cc3ccccc3O)C2=O)cc1 745885326 QALMQGYNIUWYLL-JOCHJYFZSA-N 433.508 4.201 10 20 IICD COc1cccc(-c2noc([C@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)n2)c1 745920532 VBMUYMBSAWZHOZ-KRWDZBQOSA-N 437.544 4.492 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)cc1 746011423 WEVYMWKDZNNVLN-UHFFFAOYSA-N 449.364 4.143 10 20 IICD O=C(Cc1coc2cc(F)ccc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 748297121 NXYLMSAPYACHNT-UHFFFAOYSA-N 436.405 4.286 10 20 IICD CCOc1c(OC)cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 750895102 FEXCGQNEGQFDIP-LICLKQGHSA-N 445.518 4.207 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc1 751073771 JMHVFGSLUAZTMX-UHFFFAOYSA-N 430.593 4.074 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Nc3ncccn3)c2)cc1 751405233 JRCFLVYAJMHQRX-HSZRJFAPSA-N 431.540 4.108 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1 752850557 JQPMDARKQWLQMV-GMAHTHKFSA-N 449.599 4.394 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(C)n1-c1ccc(Cl)cc1 753027947 YTTRHJTVZOJHPY-QFIPXVFZSA-N 436.943 4.064 10 20 IICD COc1cc(O)c(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1OC 753568439 QXNVBIYJPYDOAE-UHFFFAOYSA-N 425.356 4.470 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)cc1F 753739526 GPRDVHGYJJPCHV-UHFFFAOYSA-N 447.510 4.073 10 20 IICD COc1c(N[C@H](C)c2cc(Br)cc(Br)c2O)cccc1C(N)=O 757656688 BWTXJUZKGKZKRY-MRVPVSSYSA-N 444.123 4.198 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 758388752 MDZCAPAPCSRHMA-UHFFFAOYSA-N 437.474 4.284 10 20 IICD Cc1cc(C)n(-c2ccccc2CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 761779275 QPNHARVYBMEGBO-JOCHJYFZSA-N 434.540 4.086 10 20 IICD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 763284774 VGKOLEAOWQYGLQ-QGZVFWFLSA-N 443.503 4.320 10 20 IICD Cc1c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1 765332441 XWYFZIFCIXHWEX-IAGOWNOFSA-N 425.964 4.478 10 20 IICD O=C(CSc1cccc(Br)c1)NCc1ccc(N2CCSCC2)cc1 766555378 IXPQBHJKMMAYOX-UHFFFAOYSA-N 437.428 4.411 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(Cc2cccnc2)CC1 771436135 ZQOOZZGPWVYQLR-UHFFFAOYSA-N 444.526 4.316 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2nnc3n2CCCCC3)cc1 772632112 WNJOXEJKUDJYDF-UHFFFAOYSA-N 431.544 4.458 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)c(Cl)c1 776387954 VXRGYZHQTDEQHI-UHFFFAOYSA-N 438.798 4.439 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1coc(-c2ccccc2Cl)n1 776465285 FNHCGTZAJBDOQP-UHFFFAOYSA-N 425.916 4.134 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 778392395 NVLVHKLPQMGTOW-KDOFPFPSSA-N 439.478 4.079 10 20 IICD CCOc1ccc(CN(CC(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(Cl)c2)cc1 779564779 FFKGNQXTQZKSIN-FQEVSTJZSA-N 432.948 4.049 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 780623854 ANQPCTAIMQXJOV-UHFFFAOYSA-N 433.505 4.207 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)cc2)CC1 787326245 YCKIFSKYZUHYJV-UHFFFAOYSA-N 444.579 4.001 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1SCCc2ccccc21 791250248 OOJWUWHHIZQZBW-HSZRJFAPSA-N 426.582 4.406 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 792880691 BPCNDLYQTFNUNC-UAPYVXQJSA-N 431.939 4.186 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](Cc3ccncc3)c3ccc(OC)cc3)cc2F)CC1 796756707 YJKKWMJDVWVMSN-SANMLTNESA-N 448.586 4.445 10 20 IICD CCCC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 800718895 FBQIOZUXVAFBFM-UYAOXDASSA-N 449.039 4.414 10 20 IICD Cn1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OC(F)(F)O4)C2=O)c(C(F)F)n1 812220112 ZWYHQBSIADZTLA-NYYWCZLTSA-N 431.392 4.085 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)CCc3cccc(Br)c3)CC2)cc1 813058019 FGTLHNVWQDGMDW-UHFFFAOYSA-N 446.389 4.311 10 20 IICD O=C1N=C(S[C@H]2CCN(C3CCOCC3)C2=O)S/C1=C/c1csc2ccccc12 814772139 OMBMTBLJBWTUTR-SZLZGVTBSA-N 444.603 4.385 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 815063287 ZFBPWMDACWSHBB-UHFFFAOYSA-N 426.532 4.189 10 20 IICD Cc1c(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)sc2c(Cl)cccc12 815126241 IZHZOPSBCZWFBV-UHFFFAOYSA-N 435.014 4.388 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3C)n2)cc1 874395657 OLGIWZNDJITPQU-UHFFFAOYSA-N 447.557 4.127 10 20 IICD COCc1cccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 916064064 WFPIFMXWYBYIBN-LDADJPATSA-N 446.619 4.192 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1320380934 JAEVEYGYUUKCFI-UHFFFAOYSA-N 425.529 4.239 10 20 IICD CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1826338484 SKJVNBBJOVYUJV-SFHVURJKSA-N 436.980 4.421 10 20 IICD Cc1ccc2nc(COc3ccc(C(=O)N4CCOc5cc(N(C)C)ccc54)cc3)cn2c1 437017897 KZPBJETVTZRSFA-UHFFFAOYSA-N 442.519 4.327 10 20 IICD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc12 727242804 JNAJIGIIPHLRPQ-UHFFFAOYSA-N 441.582 4.499 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(F)c3)sc2C)s1 727248845 FZLPRGQGMKANDM-UHFFFAOYSA-N 439.559 4.064 10 20 IICD O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(N2CCOCC2)c(F)c1 727264038 MIBIHKIFYJGMCW-RVDMUPIBSA-N 445.416 4.335 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1 732115376 YJELHRSXNAOMBB-LJQANCHMSA-N 437.584 4.379 10 20 IICD Cc1cc(CC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)n1-c1ccc(Cl)cc1 733976789 CODROMFSEAKSCL-UHFFFAOYSA-N 447.926 4.213 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 734406078 OEXVKXVRGHUWKX-JCMHNJIXSA-N 444.564 4.091 10 20 IICD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 735384609 KHIIYJWFWUWQEX-FCHUYYIVSA-N 441.547 4.199 10 20 IICD Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 735516596 URKRCOWWMOAONS-FQEVSTJZSA-N 425.554 4.007 10 20 IICD CCOc1cccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1O 742382832 KYWFKOYOCVRARF-JOCHJYFZSA-N 429.513 4.213 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncccc3C(=O)N3CCCCC3)cc2F)C[C@@H](C)O1 742394675 XDGWQUXMYNEJPO-HDICACEKSA-N 426.536 4.073 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 742800974 ODBCEGWXODIWQG-HNNXBMFYSA-N 442.466 4.409 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 743075886 QJLNOEAZGSKIDA-GOSISDBHSA-N 445.585 4.257 10 20 IICD COC(=O)c1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c(OC)c1 743195219 VTHMNZXZWAODSO-UHFFFAOYSA-N 441.528 4.145 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@H]1CCc2ccccc2C1 743286052 ZPPQPTSXGXHSAU-FLVGQNKLSA-N 436.602 4.282 10 20 IICD Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C 744473368 CTUFXFOANIQMOI-MRXNPFEDSA-N 427.456 4.263 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](c1ccccc1)N1CCOCC1 749129204 WMIFHXODNZGTPY-NTKDMRAZSA-N 445.554 4.308 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 751140614 GBEYEVGYLLBZEY-UHFFFAOYSA-N 426.520 4.174 10 20 IICD C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1(F)F 753029074 KWQYKKFFQRGAKH-GVIGZQTCSA-N 430.567 4.233 10 20 IICD O=C(NCCCSc1nccs1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 759590997 SFLXOQNSPCFQJU-QGZVFWFLSA-N 426.007 4.434 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](CCc3ccccc3)c3ccccc3)cc2)CC1 765979949 WZXGBUAEWVCUDK-AREMUKBSSA-N 434.605 4.385 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)c2C)c1 768067021 CIRJOHBUMRHBMF-UHFFFAOYSA-N 431.536 4.436 10 20 IICD CCCCOc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1 769894772 PQDQRQJLRIMSLT-GOSISDBHSA-N 443.975 4.151 10 20 IICD O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1O 771015925 LKDIDFBKLJQUBG-UHFFFAOYSA-N 431.242 4.499 10 20 IICD COc1ccccc1[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)OC(C)C 771369609 QOPXSBASEKRPBF-YKSBVNFPSA-N 442.556 4.258 10 20 IICD COc1ccc(N2CCC(NCCC(=O)Nc3cc(Br)ccc3C)CC2)cc1 772985028 IRIMYFABXLGCKF-UHFFFAOYSA-N 446.389 4.353 10 20 IICD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773858345 QHLPQHJXDHESTH-SFHVURJKSA-N 444.535 4.129 10 20 IICD COc1ccc(CNCc2cccc(Br)c2O)cc1OCc1cccnc1 775147528 VADJFDYWBAAULA-UHFFFAOYSA-N 429.314 4.427 10 20 IICD C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 775773418 ISBBXRXUAQDLEC-GOSISDBHSA-N 446.542 4.077 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC[C@](O)(c2ccc(F)cc2)C1 777439061 GPJCGVYKHKNYGT-QGZVFWFLSA-N 445.126 4.150 10 20 IICD Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423953 ROOLPDTVNJGPJZ-UHFFFAOYSA-N 448.567 4.196 10 20 IICD Cc1nnc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 782676874 NHMUZMKTWKYQTM-QQMDNXKGSA-N 439.609 4.194 10 20 IICD COC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F 783132829 CZXXMDZWPSXVFX-KBPBESRZSA-N 448.470 4.078 10 20 IICD COC[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C[C@@H](C)O1 783969779 XKORXTKWWUSTJQ-GDBMZVCRSA-N 443.927 4.363 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 784354233 JFCZPWIUJDZRQJ-UHFFFAOYSA-N 434.458 4.061 10 20 IICD COC(=O)COc1ccc(N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 784555069 DYGJVCVZBJPZGO-UHFFFAOYSA-N 431.703 4.274 10 20 IICD O=C(COC(=O)Cc1nnc(O)c2ccccc12)Nc1ccc(N=Nc2ccccc2)cc1 786240890 RRSIPQQBQHRWIU-UHFFFAOYSA-N 441.447 4.475 10 20 IICD CC(C)(C)C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 788236371 USBKZMRKRQLFBQ-YADHBBJMSA-N 438.568 4.194 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc2[nH]ccc2c1 788283358 WQORJVNLTBWPBN-HDICACEKSA-N 438.547 4.063 10 20 IICD COc1cc(N2CCN(Cc3c(F)cccc3OC(F)(F)F)CC2)cc(OC)c1OC 793585504 BXPHEBBFBJJVEG-UHFFFAOYSA-N 444.425 4.072 10 20 IICD COC(=O)COc1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)cc1 794861538 IUFIGLNQSOCGAT-UVTDQMKNSA-N 433.473 4.172 10 20 IICD COCCCOc1ccc(NCc2cc(Br)cc(OC)c2O)cc1OC 796459649 PEOYVABHIBCFRZ-UHFFFAOYSA-N 426.307 4.199 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NCc2ccc(C(F)F)cc2)cc1)C1CCCCC1 803678132 YRAIQWXAOCMOEH-UHFFFAOYSA-N 429.511 4.326 10 20 IICD CC[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)cc(Cl)c1O 806146060 JKZILBIYKUTUKX-AWEZNQCLSA-N 431.332 4.004 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1 806854161 VQZJNVKCYSIFHW-UHFFFAOYSA-N 426.542 4.121 10 20 IICD COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1OC(F)F 807836390 VXJZTIQGRDGIKN-UHFFFAOYSA-N 437.182 4.147 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 808095227 WCOCRCJCNBLLIG-MRXNPFEDSA-N 442.339 4.106 10 20 IICD CN(CCO)Cc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Cl 808412634 YETHZHULLASYHS-UHFFFAOYSA-N 432.952 4.275 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 810400552 KXGXXCHEAGCGBS-CQSZACIVSA-N 440.883 4.229 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(C(C)=O)cc2)C1=O 814291880 CSPICXWYQPPZGI-VXLYETTFSA-N 429.519 4.321 10 20 IICD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 815869785 FWHTZJKVULDYEP-VXKWHMMOSA-N 449.555 4.141 10 20 IICD O=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)Nc1ccc(N=Nc2ccccc2)cc1 904233629 XBWXDFJBOZYCHY-UHFFFAOYSA-N 433.468 4.164 10 20 IICD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 914454868 DYVNMIYHCFLEMU-AREMUKBSSA-N 445.563 4.410 10 20 IICD CN(C)c1ccc(CN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C2CC2)cc1 914757932 CRRLSMUXVIOIRY-UHFFFAOYSA-N 433.508 4.168 10 20 IICD Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 917384149 VEEUFJURMQZCNG-HSZRJFAPSA-N 439.625 4.009 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C)n1-c1ccc(F)cc1F 917618541 BGKYLCZYNAEPTQ-RQZCQDPDSA-N 436.505 4.438 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2)cs1 918140698 OECHMETVFVTRCG-KBPBESRZSA-N 428.533 4.129 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCc1nc(O)c2cnn(C)c2n1 919675421 BNPUVBKTMMNFGY-UHFFFAOYSA-N 445.346 4.007 10 20 IICD C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(N2CCOCC2)cc1 920881621 IRIGUAQXVZNKCT-SFHVURJKSA-N 449.576 4.006 10 20 IICD Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1337116468 VSTXQDRFYXWHSJ-INIZCTEOSA-N 428.920 4.282 10 20 IICD CC(C)CCc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 28257395 HAYFUPGBUWSDSZ-UHFFFAOYSA-N 430.979 4.101 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1ccc(F)cc1 302793560 PJSQPULBHQHZJC-UHFFFAOYSA-N 431.514 4.185 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)n(C)c2ccccc12 472796693 VRTNKQYJBODFAM-UHFFFAOYSA-N 443.532 4.118 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 543880541 PSMWCYPDHWMFCQ-UHFFFAOYSA-N 433.390 4.252 10 20 IICD CC1=c2ccc(C(F)(F)F)nc2=S=C1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 590230116 IMPHZHZILZJAKG-UHFFFAOYSA-N 446.454 4.253 10 20 IICD CN(C)[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCC1 726700542 GXMWLVXCRSWNAL-NRFANRHFSA-N 438.563 4.067 10 20 IICD COc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)c1 727489930 BJUZJPYIPIPTMC-XDHOZWIPSA-N 430.526 4.077 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)ccc21 728637422 KSBQMKZBVFPQDJ-OAHLLOKOSA-N 429.904 4.137 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1-c1cccc2ncccc12 731344950 RPTXBJKROCEKJV-UHFFFAOYSA-N 440.551 4.290 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)c1 732286200 BVNHNIYQNWRNET-MRXNPFEDSA-N 443.544 4.265 10 20 IICD CN(c1ccc(CNC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1)C1CCCCC1 732823824 FZHUYMKAJBGTOM-HSZRJFAPSA-N 426.605 4.142 10 20 IICD CN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCc2ccccc2C1 734069609 RTORUEJOPCNMGS-OAQYLSRUSA-N 429.511 4.456 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 734407348 OSZABYLQLBMBFK-PMACEKPBSA-N 437.584 4.159 10 20 IICD CCc1nn(C)c2n[nH]c(NC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)c12 734470454 FICLRSUMSAEHRX-UHFFFAOYSA-N 441.333 4.281 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](Cc1ccccc1)c1ccccc1F 740909190 JRIQAKMJFGJTAT-RUZDIDTESA-N 433.527 4.446 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 741099539 DKSGTAJCYSAJFG-UHFFFAOYSA-N 443.503 4.119 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(SC)cc1OC 741302724 VUKOZZLDCSEYJR-WQRHYEAKSA-N 432.592 4.265 10 20 IICD Cc1cc(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 741595904 AUBBKQDUQCVTLV-LEWJYISDSA-N 437.005 4.104 10 20 IICD Cc1cc(C(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccco1 741735087 VVRUACKLUHZOBI-NRFANRHFSA-N 435.568 4.286 10 20 IICD O=C(CSc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1 742455385 MICKYRPAYHTREI-UHFFFAOYSA-N 429.344 4.378 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(CN2CCCC2)cc1 742802526 YQLHGBDURGEOMS-FQEVSTJZSA-N 429.511 4.283 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)ccc1C 749011217 QNMMAFZXTNDHJB-UHFFFAOYSA-N 437.493 4.464 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cnc(-c3ncccn3)s2)c1C 750200804 LASDXEUJBCXZRY-UHFFFAOYSA-N 432.505 4.356 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)oc1C 751127113 UKQYGUULRGLKPF-UHFFFAOYSA-N 426.903 4.261 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1nc(-c2cc(Cl)ccc2Cl)cs1 753897277 QPFRKBXKRMLYQT-RIYZIHGNSA-N 426.350 4.419 10 20 IICD C[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)c(Cl)c1O 756556942 YHWRLKQDZSSNHA-WMLDXEAASA-N 436.383 4.247 10 20 IICD COc1ccc(C(=O)N2CCC(N[C@H](C)c3cc4c(cc3O)CCCC4)CC2)cc1OC 756734037 SOHCLIQLOPAYEJ-QGZVFWFLSA-N 438.568 4.244 10 20 IICD COc1ccc(N[C@@H](C)c2ccc(Br)cc2O)cc1-n1nnnc1C1CC1 757614547 NWFLQOKJKITETL-NSHDSACASA-N 430.306 4.190 10 20 IICD Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 758499689 UOOZZHXOEXCVOE-OAQYLSRUSA-N 425.529 4.351 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 759709730 YHUMMZMCIUWWRS-NRFANRHFSA-N 432.528 4.164 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(Br)c1F 763901450 LEBDBCXEJJYPBI-UHFFFAOYSA-N 448.292 4.073 10 20 IICD Cc1cc(C[C@H](C)NC(=O)NCc2cccc(Br)c2O)n(-c2ccccc2)n1 764799901 MZMONWBPYWGKBV-AWEZNQCLSA-N 443.345 4.079 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1ccc(Cl)cc1 765295397 DTDMKCLEHGNELB-KRWDZBQOSA-N 439.991 4.289 10 20 IICD COc1cc(Br)cc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1O 769335434 JUDPCAMGQMKMGY-UHFFFAOYSA-N 443.382 4.242 10 20 IICD CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 769847112 TVPDMSDDRFJVNQ-UHFFFAOYSA-N 440.565 4.370 10 20 IICD C[C@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccc(N(C)C)cc1 773987623 FOEMTUHVPNJXCU-AWEZNQCLSA-N 438.578 4.130 10 20 IICD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCCCSc1nccs1 774914959 XYBRCQHXSPPJJY-MRXNPFEDSA-N 427.599 4.094 10 20 IICD CN(Cc1cc(Br)cc(Br)c1O)Cc1nccn1C(F)F 775652383 YTFAZNYZSDSZBT-UHFFFAOYSA-N 425.071 4.141 10 20 IICD CCC(CC)n1nc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C 776303159 GAOMLKINASVEIN-UHFFFAOYSA-N 438.494 4.338 10 20 IICD CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H]1Oc1ccccc1 776532809 HDIPQHJHASBANS-GMKZXUHWSA-N 436.508 4.322 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-c2nnco2)c1)c1ccc(N)cc1 783486566 OILFPBYYFOCBRO-INIZCTEOSA-N 427.464 4.052 10 20 IICD Fc1cc(CN[C@H](c2ccccc2)C(F)(F)F)ccc1N1CCN(c2ncccn2)CC1 783670588 OAHFXNUIKJYDFT-OAQYLSRUSA-N 445.464 4.336 10 20 IICD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788909719 GZTZQYIYLNKALX-UHFFFAOYSA-N 447.501 4.359 10 20 IICD COc1ccccc1-n1ncc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 798397081 RNALEHXOZLXXBJ-UHFFFAOYSA-N 437.455 4.217 10 20 IICD CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 803677329 MJUQXMKEMVEBEM-QPPBQGQZSA-N 443.632 4.172 10 20 IICD Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C1CC1 805872189 MVGQZIMOTOTHMS-VWLOTQADSA-N 445.563 4.450 10 20 IICD COc1cc(Cl)c(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C 808899647 FIHZGPINCREJCH-UHFFFAOYSA-N 449.935 4.037 10 20 IICD COc1ccc(-c2[nH]ncc2/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 810201607 QLIUWDHZJJMCDP-YVLHZVERSA-N 437.502 4.189 10 20 IICD COc1ccc(C[C@@](C)(O)CN[C@H](C)c2cc(Br)cc(C)c2O)cc1OC 810255585 NPYAOCROGJXANW-SPLOXXLWSA-N 438.362 4.125 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 811518426 KIQNQBLVQKANHQ-ZBFHGGJFSA-N 431.168 4.451 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C(=O)CC4CCCC4)CC3)c2C)cc1 914879883 VPYPMTQSMHNEHH-UHFFFAOYSA-N 437.584 4.358 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1N1CCCCCC1 916676550 ABCLFVSSKHHDMB-UHFFFAOYSA-N 440.563 4.489 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3-c3ccccc3)cc2)C1 918027586 OXJLJPLJKBQTEL-OAQYLSRUSA-N 428.536 4.377 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 918305102 ATAFUQAGQBQRLP-UHFFFAOYSA-N 435.499 4.068 10 20 IICD Cc1ccc2nc(COc3ccccc3C(=O)Nc3cccc(N4CCOCC4)c3)cn2c1 918371995 OVJKZHKYMMRBIE-UHFFFAOYSA-N 442.519 4.311 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 919825025 JAWVWFYYTDUPSQ-UHFFFAOYSA-N 429.476 4.318 10 20 IICD Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920888709 YRVSRKHMJHXMRA-KRWDZBQOSA-N 435.524 4.198 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nc(CN3CCOCC3)cs2)c1 1317756361 GYDPPOWMZFWTOH-UHFFFAOYSA-N 430.961 4.289 10 20 IICD COc1ccc(C(NCc2ccc(N3CCN(C)CC3)cc2)c2ccc(OC)cc2)cc1 1324815317 IKTQQTQCNSJNTK-UHFFFAOYSA-N 431.580 4.335 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)n2cccc2)C3)cc1 1800515340 MADIWFNYHPSMTK-CEYBMKEASA-N 444.579 4.409 10 20 IICD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N(C)c1ccccc1 10732462 JVOHCERNYRPLKR-CQSZACIVSA-N 447.874 4.324 10 20 IICD CNC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 108409692 YXRNGAMSNLJJPL-UHFFFAOYSA-N 440.341 4.146 10 20 IICD O=C(Nc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1)c1cccc(F)c1 237742405 DINCZQATQZTUFP-UHFFFAOYSA-N 437.490 4.344 10 20 IICD Cc1c(CNC(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)n(C)c2ccccc12 463934006 YFJINYHIIXNIPD-RUZDIDTESA-N 445.523 4.033 10 20 IICD Cc1cccc([C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N2CCOCC2)c1 725847805 RFYABTOSRHTPMS-RUZDIDTESA-N 438.572 4.057 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(-c2cccs2)c1)c1ccc(N2CCOCC2)cc1 726293994 RHSYGCVGGUYEEF-KRWDZBQOSA-N 435.549 4.068 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F 731403373 IXNWGDGTHKKRMX-GOSISDBHSA-N 428.552 4.069 10 20 IICD COc1ccc(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Br 731857869 FVWWKNQFCZXOEV-GOSISDBHSA-N 448.357 4.304 10 20 IICD Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1 731859167 UBSJDIQJGVURAI-SJLPKXTDSA-N 448.357 4.438 10 20 IICD Cc1cc(-c2csc(NC(=O)C3CCS(=O)(=O)CC3)n2)c(C)n1-c1ccc(F)cc1 732932075 CWMWHOWTRFKIRC-UHFFFAOYSA-N 447.557 4.120 10 20 IICD COc1ccc(O)c(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1 734017554 NGUMRMLDAGVTKT-UHFFFAOYSA-N 437.443 4.014 10 20 IICD Cc1cccnc1[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C 734525484 IDMBOOZFKBGPOY-JBYIUTFZSA-N 428.552 4.339 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 736376225 QHWJKUAJJNCVMB-IIBYNOLFSA-N 434.005 4.469 10 20 IICD CCSCC[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 742959589 RRPCMEATDQHPNA-FRRXJZEGSA-N 428.670 4.377 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 743091380 JYDPBNAIZYZOJE-UHFFFAOYSA-N 436.281 4.233 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCc2cc(OC(F)F)ccc21 746724658 RYUDFBPRVJAYEH-FQEVSTJZSA-N 449.473 4.141 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 746795707 ZPSVURULBIXJQT-UHFFFAOYSA-N 435.499 4.034 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4c(Br)cccc4[nH]3)CC2)cc1 750731451 GDWUQCWQBBLNFM-UHFFFAOYSA-N 428.330 4.292 10 20 IICD COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1F 753747632 VEPFGLJRJSJEPW-MSOLQXFVSA-N 433.321 4.049 10 20 IICD COc1ccc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1F 753860584 JBYXRLFBTPHELH-UHFFFAOYSA-N 426.319 4.292 10 20 IICD C[C@H](Sc1ccccn1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754240472 OZVZZMPGXBOOBN-QFBILLFUSA-N 444.601 4.010 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)c(F)cc1O 756420380 DXESFOSFFSBTQL-GFCCVEGCSA-N 427.289 4.120 10 20 IICD C[C@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 756948185 XZCJBDAHYGDGQO-FQEVSTJZSA-N 443.547 4.291 10 20 IICD Cc1nc(CC(C)C)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1 761026978 YBWZRYYXKQNYOW-UHFFFAOYSA-N 427.526 4.116 10 20 IICD COc1cc(Cl)cc(CNc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1O 761202494 ZYFRORWAWQKKAP-UHFFFAOYSA-N 425.916 4.158 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)cc1 764251910 ASIQGLDUXSMXRF-UHFFFAOYSA-N 438.753 4.204 10 20 IICD O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NCc1cccc(Br)c1O 765476699 QIHAFKBWKORHCF-UHFFFAOYSA-N 446.276 4.481 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccc(F)cc2Cl)CC1 765785980 XLYSTKUPURBWAU-UHFFFAOYSA-N 445.966 4.219 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3nnn(-c4ccc(C)cc4)c3C)cc2F)CC1 765852507 LEZBOSZZMDAPLQ-IBGZPJMESA-N 436.579 4.016 10 20 IICD CC(C)[C@@H]1C[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1 772496326 SLVUNHJBAADHOK-BIZBRERQSA-N 438.640 4.049 10 20 IICD Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)nc12 773614479 AITRLKZNLWXODG-CQSZACIVSA-N 430.350 4.032 10 20 IICD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773740740 PLGDPDYUQZOLKK-GFCCVEGCSA-N 428.872 4.266 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)cc1 775565659 OEUOAAQMTVFDRT-CHWSQXEVSA-N 430.339 4.115 10 20 IICD Cc1cc(Br)cc(CN2CCN(C(=O)c3cc4occc4s3)CC2)c1O 775714135 MUICDJDNFYKDDJ-UHFFFAOYSA-N 435.343 4.229 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(=O)c2cccc(O)c2)cc1 780388054 VFRXGPSXJRNREI-UHFFFAOYSA-N 432.545 4.106 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 785546822 CCJSTHFOLMPVAA-UHFFFAOYSA-N 426.516 4.215 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H](C)c3cc4ccccc4o3)cc2F)C[C@H](C)O1 786446458 ZGNOZOVWAUCCAQ-BZSNNMDCSA-N 439.531 4.153 10 20 IICD O=C(NCc1ccc(S(=O)(=O)CCO)cc1)Nc1ccc(N=Nc2ccccc2)cc1 790764741 CCTPSOAALGWUGU-UHFFFAOYSA-N 438.509 4.190 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc(O)c4ccccc4n3)cc2Cl)C1 800050167 OTHPCDXOJLILOL-INIZCTEOSA-N 438.959 4.474 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 802610233 WPJYGTSOLNAGRD-UHFFFAOYSA-N 444.491 4.363 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 807290510 XHHVVMIGOGFRTA-QHCPKHFHSA-N 437.971 4.380 10 20 IICD CC[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1O 810221364 FJGKNFJVZAMUNP-SFHVURJKSA-N 429.527 4.078 10 20 IICD CCOCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccccc1O 812191146 SSWRVQVPTHJTRE-UHFFFAOYSA-N 430.936 4.376 10 20 IICD Cc1ccc(S(=O)(=O)C2(C(=O)NCc3cc(Cl)cc(Cl)c3O)CCCC2)cc1 813684367 PDPNXBZGYMDBPR-UHFFFAOYSA-N 442.364 4.410 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 815565636 VTEUHBFQNRYFFR-AWEZNQCLSA-N 430.492 4.291 10 20 IICD C[C@@H]1CCc2ccccc2N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822098277 FUXMYYATIWAQRX-CQSZACIVSA-N 426.428 4.352 10 20 IICD CCOc1ccc(N2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1 824017198 GELUBONRFQCNFS-VCHYOVAHSA-N 426.498 4.211 10 20 IICD CCOc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])cc1OCC 915332425 JBWLGLCRUXXIHY-UHFFFAOYSA-N 428.489 4.314 10 20 IICD O=C(Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)[C@@H]1CCCO1 916678281 VQNIUSNRWFQUCY-QFIPXVFZSA-N 435.480 4.337 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H](C)c3ccccc3Cl)CC2)cc1 918198991 XONWVOIQHLMRRS-LJQANCHMSA-N 445.007 4.263 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc4sc(N(C)C)nc4s3)cc2F)C[C@@H](C)O1 919752472 ZCZLAHCBFSOLGB-CHWSQXEVSA-N 448.589 4.107 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(Nc2ncccn2)c1 919895716 VFCYNFBEIAKDMD-UHFFFAOYSA-N 428.540 4.005 10 20 IICD CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 920921444 GCYAPGYLPDEBTA-AVRDEDQJSA-N 430.618 4.028 10 20 IICD Cc1cc(-c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)o3)o2)c(C)n1-c1ccccc1 1324019650 AUORPUPKCFQBKP-UHFFFAOYSA-N 438.509 4.189 10 20 IICD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c(Cl)c1 1800719255 FNWQAWJUPRNONE-QDMKHBRRSA-N 449.334 4.279 10 20 IICD O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501355 FUMKXYIEWCLOIW-RYQLBKOJSA-N 446.975 4.175 10 20 IICD Cc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(O)c1O 116718433 WKBXQUXFVITCTF-HXUWFJFHSA-N 425.868 4.122 10 20 IICD COc1ccc(N2CCC(Nc3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CC2)cc1 301187649 QEFCIELRSQUXHA-UHFFFAOYSA-N 446.885 4.254 10 20 IICD Cc1ccc(OC[C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726614507 RMKOLENZFBSXSE-QGZVFWFLSA-N 433.499 4.332 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(OCCc4ccccc4)CC3)CC2)cc1 726713307 MIFGXXLROHGXFK-UHFFFAOYSA-N 437.584 4.097 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCCO4)SC2=S)cn1 726985968 HZNOKTSRTDXLGD-DHDCSXOGSA-N 434.926 4.311 10 20 IICD COC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C 728691920 JWFKJJQCMGVXGM-UHFFFAOYSA-N 433.455 4.174 10 20 IICD O=C(NCCCN(C(=O)C1CCC1)C1CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 731409665 SZQPFGIPYSXAKA-UHFFFAOYSA-N 447.539 4.338 10 20 IICD Cc1cc(-c2csc(-c3cccc(O)c3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 731676400 PSTKFXDHFJHVQR-UHFFFAOYSA-N 425.535 4.238 10 20 IICD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 732882241 PPVIINFLKPMRIO-UHFFFAOYSA-N 429.586 4.322 10 20 IICD CCOC[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 733763800 CQVCXURSPPEJIO-ZKMNFCBKSA-N 438.640 4.005 10 20 IICD C[C@H](CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1)NC(=O)/C=C\c1cncc(F)c1 733955914 SMVRXHAOQNVQBC-RGYOEUGBSA-N 448.473 4.019 10 20 IICD COCCOC1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 735078020 SISJWZARCODMIR-UHFFFAOYSA-N 438.490 4.423 10 20 IICD Cc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 741096776 GJFSGFDFZZECDR-UHFFFAOYSA-N 427.504 4.418 10 20 IICD CSc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 742799321 JLJFWZVPVBWTEK-AWEZNQCLSA-N 437.468 4.317 10 20 IICD CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 743045674 SUKLVBFCRJRGKW-UHFFFAOYSA-N 431.495 4.358 10 20 IICD COc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1NC(C)=O 743101887 XGUMIBVHQJAWDZ-INIZCTEOSA-N 448.470 4.046 10 20 IICD Cc1cnc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)s1 743554979 NRBVDUFXYUXUEW-LAPQFRIASA-N 432.565 4.155 10 20 IICD CCC(=O)Nc1cccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745452470 WCBBIJXIIFPIQN-SFHVURJKSA-N 446.498 4.105 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3Cn3cncn3)c2C)c1 745527624 XUZAJOYPNSCKLR-UHFFFAOYSA-N 428.492 4.082 10 20 IICD CN(C)c1ccc(CN(C(=O)NCC2CCN(Cc3cccs3)CC2)C2CC2)cc1 747306113 RGNWLWRCVUDQTQ-UHFFFAOYSA-N 426.630 4.400 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(CSc4nccn4C)c3)CC2)cc1 749179199 RTTQRFJGNJWECZ-UHFFFAOYSA-N 436.581 4.074 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)n1-c1nccs1 751403756 FAQZWTZACJVSRX-OAQYLSRUSA-N 438.597 4.438 10 20 IICD CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751936864 NBCUSGCKRAIDJU-CYBMUJFWSA-N 427.551 4.222 10 20 IICD CSc1cc(Br)ccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 755032939 WJLKAZYXRQHVBL-KPKJPENVSA-N 432.386 4.237 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccccc3OCc3ccccc3)no2)c1 758281954 CKEBUVXVEFFQSD-UHFFFAOYSA-N 437.477 4.060 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cnccc3-c3ccccc3)cc2)CC1 760222242 KGUIUPUZAAMLDB-UHFFFAOYSA-N 428.536 4.240 10 20 IICD C[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 765686478 SVXFIMLMEHZNJU-NXQMDHLFSA-N 445.604 4.174 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)o1 776744336 RUBHRLOFYWABSU-UHFFFAOYSA-N 444.490 4.158 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc1F 779156175 AVLRAWFRQWXTAR-UHFFFAOYSA-N 445.535 4.067 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 780568925 KJFTYANBMSJSPH-UHFFFAOYSA-N 447.535 4.035 10 20 IICD Fc1cc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1N1CCN(c2ncccn2)CC1 782523412 VIETUZWXODHYDF-ROUUACIJSA-N 437.485 4.153 10 20 IICD Cc1cc(Br)cc2c1[C@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CC2 786795328 CFOZZUGRVYZSIE-WIYYLYMNSA-N 442.401 4.236 10 20 IICD CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 787868743 BGZAHDGPLFJAFK-HXUWFJFHSA-N 437.584 4.300 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc2[nH]ccc2c1 788283364 WQORJVNLTBWPBN-QZTJIDSGSA-N 438.547 4.063 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1c[nH]c2cc(F)ccc12 791249599 HZIZJUSZGVTCEX-UHFFFAOYSA-N 425.504 4.238 10 20 IICD CC1=C(Br)CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 797432702 OIRZCSBTPQBEBS-GJZGRUSLSA-N 440.357 4.024 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Br)ccc1N1CCCC1 797635596 YHBKZJLAAULIIE-CYBMUJFWSA-N 434.334 4.213 10 20 IICD CCc1c(C)sc2nc(Sc3ncc([N+](=O)[O-])s3)n(C[C@@H]3CCCO3)c(=O)c12 799925879 UXUNBIIBSXXEOV-JTQLQIEISA-N 438.556 4.024 10 20 IICD CCC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800637334 WPUGOCDYFQTBOJ-MRXNPFEDSA-N 441.959 4.424 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 800902923 GFKNYPUQLPMISI-QGZVFWFLSA-N 444.457 4.320 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800992981 GPQGPTOAYUWGQF-PZJWPPBQSA-N 442.003 4.061 10 20 IICD CCc1nc2cc(CNC(=O)NC3CCN(c4ccc(OC)cc4)CC3)ccc2n1C1CC1 801770614 STMPJNPLXDEGLX-UHFFFAOYSA-N 447.583 4.410 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC(CC(F)(F)F)CC1 803675361 QEQSWWQYWIOACG-UHFFFAOYSA-N 448.488 4.059 10 20 IICD COc1ccc([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 803677373 NQUZSLCPEJEXRK-IBGZPJMESA-N 437.584 4.300 10 20 IICD CC[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1O 806140493 XWMRDOVXRQJAIL-CQSZACIVSA-N 449.322 4.301 10 20 IICD CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCOC)c1cc(Cl)cc(Cl)c1O 806155259 OIJOXXVEBLCLHR-OALUTQOASA-N 425.356 4.114 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 807460079 CCKNWZMJSSAUPO-QHCPKHFHSA-N 434.511 4.370 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(N(C)C)cc1 808291150 FQUFSDHCEAYFLH-QRWLVFNGSA-N 437.462 4.495 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2cc(Cl)cc(C)c2O)N2CCOCC2)cc1OC 808672205 GNGJACLAVACSQC-JXFKEZNVSA-N 434.964 4.095 10 20 IICD Cc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)cc1Cl 877856456 SKJVBOZTCFBLAR-LJQANCHMSA-N 431.920 4.445 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 914758034 DXZXMBCWEGHINV-UHFFFAOYSA-N 447.535 4.302 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 914831021 BMDVGSCTYMHGTF-UHFFFAOYSA-N 435.524 4.416 10 20 IICD CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 915838647 JXQIQGAYIQJBAM-PDGQHHTCSA-N 429.519 4.144 10 20 IICD CCOc1ccc(OCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2OCC)cc1 915840868 OJIXKPKOHGSOKE-XSFVSMFZSA-N 445.562 4.431 10 20 IICD Cc1ncc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 916506859 QPCWYNBVMYDYLI-DHDCSXOGSA-N 437.637 4.153 10 20 IICD CCOc1cc(/C=C(/C(=O)OCC(=O)c2ccc(O)c(O)c2)c2ccccc2)ccc1O 916617979 XWPHWNBRTCYAPE-XDHOZWIPSA-N 434.444 4.169 10 20 IICD Cc1ccccc1[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917069668 DTGNLFHUYDVPAL-SKPFHBQLSA-N 439.575 4.201 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccco2)nn1-c1ccccc1 917708136 HFLNJOSDNQQEND-UHFFFAOYSA-N 446.482 4.038 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2F)C[C@H](C)O1 917708365 AOPIYMHJZAUQCM-KBPBESRZSA-N 443.500 4.492 10 20 IICD O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 917859508 RJILRZPEIMXHTJ-UHFFFAOYSA-N 439.518 4.249 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C2CC2)cc1 918096685 YBPIQRMYVJKXQG-UHFFFAOYSA-N 428.964 4.499 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Cl)c2cccnc12 918311366 QWAILWZXECRIOT-UHFFFAOYSA-N 436.943 4.476 10 20 IICD Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971773 WYJGXLAKEWFXFW-SFHVURJKSA-N 428.548 4.302 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920881445 VQCQODGLJGOTOD-MRXNPFEDSA-N 439.537 4.229 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(Cl)c3)n2)cc1 1322377637 UXDAJEMLKBWLRT-UHFFFAOYSA-N 435.958 4.209 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)c1 71939841 IZMHTUYQJHYJEC-UHFFFAOYSA-N 432.362 4.288 10 20 IICD Cc1c(CNC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n(C)c2ccccc12 553797008 DFIMLGUAJNMWEO-IQGLISFBSA-N 433.556 4.086 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2F)C[C@H](C)O1 727708665 ZDLREMPCQBLSAT-GJZGRUSLSA-N 429.923 4.433 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)cc1 731113956 AEDKYPXIFHBPIW-UHFFFAOYSA-N 437.569 4.190 10 20 IICD Cc1nc(-c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)co1 731852361 IHFOWIDQWNDORW-UHFFFAOYSA-N 425.554 4.461 10 20 IICD CC(C)C[C@H](C)Oc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 732243374 OMKLGOMNXWXAJY-VQTJNVASSA-N 440.588 4.292 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 734687375 XJCXTUMAQPSTRC-LJQANCHMSA-N 437.519 4.339 10 20 IICD COC(=O)NCc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 735374764 CJGKKXLEDNDJMN-UHFFFAOYSA-N 436.512 4.436 10 20 IICD CC(C)c1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1cccc(F)c1 735516889 AENRGCOBHRSNRZ-FQEVSTJZSA-N 438.503 4.057 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 738513150 JQLUZPXACJNSCG-OAHLLOKOSA-N 438.465 4.301 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2F)C[C@@H](C)O1 741145549 GEBUPRNGLPKZAL-DFIYOIEZSA-N 439.575 4.110 10 20 IICD Cc1cc(C(=O)NCCCSc2nccs2)cc(C)c1OCC(=O)N1CCCCC1 741691749 DCCMWLPSZVJGKS-UHFFFAOYSA-N 447.626 4.063 10 20 IICD C[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752417 GRFPCIWNZXLYGF-VGOFRKELSA-N 443.563 4.453 10 20 IICD CCOC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742805046 FBARMADGNGFLIH-QGZVFWFLSA-N 433.455 4.255 10 20 IICD CCOc1ccc(CN(C)C(=O)CN(CC)Cc2cc(Br)ccc2O)cc1 743872265 SYKSOYRFKULDGQ-UHFFFAOYSA-N 435.362 4.034 10 20 IICD CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)NCc2cccc(OC)c2O)cc1 745831730 UMOHHTJTNQVECW-RTWAWAEBSA-N 428.529 4.379 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)c1cccc(F)c1 746133190 FBDYMEQAMXDORQ-GVDBMIGSSA-N 430.495 4.104 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1-c1ccc(F)cc1 747209320 CAKOQBAFBVYHIA-UHFFFAOYSA-N 435.543 4.372 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=S)NCCCN(C)c2ccccc2)ccn1 749828225 LGJDZGKGDYRZBQ-UHFFFAOYSA-N 449.580 4.046 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 751307644 YPHVQHHBULHICA-CPJSRVTESA-N 435.612 4.491 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 756591298 QOHJXPOSZIGCFL-CYBMUJFWSA-N 442.375 4.066 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3COc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 757633633 VLKUDIKCYDUGRH-KSMMKXTCSA-N 433.911 4.026 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(N4CCCC4)nc3)SC2=S)c1 758414474 AMQWMFCTGUHJBC-WOJGMQOQSA-N 427.551 4.105 10 20 IICD CC[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(Br)ccc1O 761500264 USTFRNRRONVZNV-QUCCMNQESA-N 447.373 4.304 10 20 IICD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccc(Br)c1O 765728263 FJKSITZDHAPNIM-SFHVURJKSA-N 449.345 4.112 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(O)c(Br)c3)cc2)CC1 765764963 BRTXPMFJRGGGLP-UHFFFAOYSA-N 432.362 4.390 10 20 IICD CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)ccn1 766538008 UPXLFGJBUNQMML-UHFFFAOYSA-N 444.495 4.068 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c(C)n1-c1cccc(Br)c1 766850709 YCGXVCAVBBWJBW-SFHVURJKSA-N 431.330 4.184 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(F)cc1Br 768912959 UBZUXNWAVXUGSM-HNNXBMFYSA-N 441.728 4.342 10 20 IICD C[S@](=O)c1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 770253986 OJGRIJAZOUVCJG-YTTGMZPUSA-N 447.604 4.041 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N3CCC(CNC(=O)c4ccccn4)CC3)c2C)c1 771816094 QMZQINDMABBZJW-UHFFFAOYSA-N 430.552 4.080 10 20 IICD Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773763698 YLYZJOWGAFOKJH-NSHDSACASA-N 431.286 4.185 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 775192470 MXXUFAHZEDXCBU-XMMPIXPASA-N 445.950 4.238 10 20 IICD CCC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 775195585 RDGSBCUKILFMKA-OAQYLSRUSA-N 445.510 4.031 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 775255744 PJRSDDQYLOKSIV-CQSZACIVSA-N 441.881 4.485 10 20 IICD CS(=O)(=O)CC1(CSc2ncc(-c3ccccc3)n2Cc2ccco2)CCOCC1 776837655 WCKANCMWMWYQCX-UHFFFAOYSA-N 446.594 4.125 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)CC2)cc1 780558476 PMOOXORCMPKVME-UHFFFAOYSA-N 430.504 4.031 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 789369677 IEVUWTGZBQLCTE-QGZVFWFLSA-N 442.629 4.347 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1 791247289 DAWYMPOOHXNPBC-UHFFFAOYSA-N 448.567 4.491 10 20 IICD Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1I 793407411 GVWZLBKQVJHDJW-UHFFFAOYSA-N 431.295 4.031 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](N2CCCCC2)C1 802374559 SKJLPASGKUZESO-QHCPKHFHSA-N 448.615 4.064 10 20 IICD CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 805026596 SYOPTQWFEGXVCO-UHFFFAOYSA-N 434.005 4.303 10 20 IICD CCCN(CCN1CCCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 806685552 URSWGHHPOLRJDY-UHFFFAOYSA-N 438.563 4.164 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 807512536 YEWLGMFEIHATII-OUJBWJOFSA-N 440.352 4.314 10 20 IICD Cc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ccccn2)cc1 807680293 OHUVJORNPGSCNC-VWLOTQADSA-N 444.579 4.099 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3cccs3)cc2Cl)C1 807951707 FIYKPGBKDPXLIS-HZPDHXFCSA-N 434.005 4.474 10 20 IICD COCc1nc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cs1 812263905 DOFFSROIDRUICX-UHFFFAOYSA-N 434.359 4.390 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815351688 MHFZXTXGKFNEFA-UHFFFAOYSA-N 441.837 4.094 10 20 IICD O=C(CSc1nncc2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 864236907 AEHTXJPJOUXITK-UHFFFAOYSA-N 425.469 4.136 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc2c(cc1Br)OCCO2 914505551 KWUBHRTVSBJBTK-UHFFFAOYSA-N 447.373 4.266 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 916097846 GNXROOODXYIYHI-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1OC(F)F 916494986 JKBFFTCWAUDBDX-FQEVSTJZSA-N 433.499 4.417 10 20 IICD CCN(Cc1cccs1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916631041 AKJFGMXBYFRKRS-UHFFFAOYSA-N 427.492 4.335 10 20 IICD O=C(Nc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)c1ccco1 916673932 VYRKDSOUASKLMY-HXUWFJFHSA-N 435.480 4.451 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(C)cc(Br)cc1C 918303709 ICNAJZAWTXYVSR-UHFFFAOYSA-N 432.362 4.119 10 20 IICD CC(C)Cc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919698105 SNDXJKQKBDCGRK-UHFFFAOYSA-N 447.558 4.071 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 919984146 GCWOAORMTZGRHH-UHFFFAOYSA-N 437.927 4.472 10 20 IICD Cc1ccc(N2CCC(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)nc1 920615364 XRYXJYOQJJGQIB-UHFFFAOYSA-N 431.536 4.440 10 20 IICD C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)c1ccc(N2CCOCC2)cc1 920872628 ONDITYBWAGSQHD-OAHLLOKOSA-N 436.478 4.491 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)/C=C/c3cc(Cl)cc(Cl)c3)cc2)C1 1317900618 GIRIKPNCPUYWGO-JZLODUJNSA-N 432.351 4.025 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)CN)CCC3)cc2)cc1 1790692801 ZEBSVDUAXPBVCL-SFHVURJKSA-N 444.579 4.437 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCc1ccncc1 65429711 XOONNJMKZOYCLM-FQEVSTJZSA-N 433.552 4.357 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 108427540 WSWMGEQMFQMVEX-UHFFFAOYSA-N 425.529 4.395 10 20 IICD O=S(=O)(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cccc2nsnc12 521564587 GSDUKOJARLCVSX-UHFFFAOYSA-N 432.914 4.120 10 20 IICD CC(C)CC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 726242922 CPXZLTZVFCJTPY-IBGZPJMESA-N 438.572 4.068 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)SC2=S)cc1 726628615 ZMEVHHJPAQYFTN-SDQBBNPISA-N 425.354 4.015 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Br)c2C)cc1 727037199 KKFLUXMVTKLUJQ-UHFFFAOYSA-N 432.362 4.201 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c1 729039610 YFZJPRBBBJGWCP-OAHLLOKOSA-N 445.516 4.187 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 730285592 ZEQYDKSWXAIQBN-SFHVURJKSA-N 439.556 4.233 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2ccccc2Cl)CCOCC1 730528544 GEHMBWOEELBABD-UHFFFAOYSA-N 431.001 4.258 10 20 IICD CCOC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731109920 SYCRHMKTAAZZDL-UHFFFAOYSA-N 425.529 4.187 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1C(=O)NC(C)C 731281622 GFGFBSXVENPMGF-HXUWFJFHSA-N 425.529 4.052 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 731283999 LBKPHBFNVCWPGS-UHFFFAOYSA-N 425.573 4.235 10 20 IICD Cc1cc(CC(=O)NCCc2nnc(S)n2C(C)C)c(C)n1-c1ccc(Cl)cc1 731440101 BLASGGNZAJVLOX-UHFFFAOYSA-N 431.993 4.110 10 20 IICD O=C(NCCCNC(=O)c1cccc(F)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 732479858 AASLWFMEXUZYRY-UHFFFAOYSA-N 447.470 4.116 10 20 IICD COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC(F)F 742800162 GJJPDABWQOHJAB-CQSZACIVSA-N 442.409 4.297 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(N(CC)CC)nc1 745469818 QNNCNGAQYBNYLG-UHFFFAOYSA-N 435.366 4.128 10 20 IICD O=C(Nc1ccccc1CN1CCSCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 747296827 NMPBEPXQWKIYDU-OAQYLSRUSA-N 441.597 4.154 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)c(F)c1 747857261 KAIAEYDPXKCVOI-UHFFFAOYSA-N 442.497 4.257 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C2CC2)nc2ccc(F)cc12 748025072 XGQIWJMBAILZHY-UHFFFAOYSA-N 437.490 4.282 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 748724518 GQIDNWKHBZBRGV-LJQANCHMSA-N 426.536 4.184 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 751081303 AZPADQUKKHGIMV-NPMXOYFQSA-N 429.511 4.049 10 20 IICD Cc1ccc(-n2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2C)cc1 751408128 YFUGYTFNMUFLJK-XMMPIXPASA-N 432.568 4.377 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)c[nH]1 753136644 FHDWMDYWAVKAJQ-OQLLNIDSSA-N 438.983 4.448 10 20 IICD C[C@H]1CN(c2ccc(CNCc3ccc(NC(=O)OC(C)(C)C)nc3)cc2F)C[C@H](C)O1 756104013 YKRUDJMJDMNQKB-IRXDYDNUSA-N 444.551 4.471 10 20 IICD Cc1cccc([C@H]2NC(=O)N([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)c1C 761634155 APPSJZAZXCEXPY-YLJYHZDGSA-N 429.467 4.167 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCc4c(Cl)sc(Cl)c43)cc2)CC1 765978805 PCNJVQKDIKPBAK-MRXNPFEDSA-N 445.437 4.457 10 20 IICD Cc1ccc2c(c1)nc(CNCc1cc(Br)cc(Br)c1O)n2C 769554359 CKPVNQRJACPVLK-UHFFFAOYSA-N 439.151 4.402 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCn4c(cc5c(Cl)cccc54)C3)CC2)cc1 770493007 NZNNLNSYNVYQJA-UHFFFAOYSA-N 438.959 4.498 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)c1ccc(N(C)C)cc1 773847086 NTLCCLIBZSZRKC-AWEZNQCLSA-N 440.341 4.484 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 778631324 VUYJIFAZZDAXPQ-YVHKJVDXSA-N 431.964 4.313 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 779264053 AYTOBQIVZXFCHL-UHFFFAOYSA-N 427.501 4.019 10 20 IICD CSc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 780704059 RRJBMQSKNRLXKY-UHFFFAOYSA-N 431.564 4.218 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]2CCCC[C@@H]12 782712489 QSBMXQWCRUKJKA-MOXGXCLJSA-N 425.495 4.262 10 20 IICD Cc1ccnc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2)n1 784060319 CVDIZFNDXFKUPN-UHFFFAOYSA-N 429.524 4.339 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 785566399 OTLSNCPERGZBRN-OAHLLOKOSA-N 439.453 4.284 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c1 789564974 FHZFWXZQLBOBIX-UHFFFAOYSA-N 446.290 4.025 10 20 IICD CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](c2cccc(F)c2)C1 800645667 KXVXXSSNFDQGLV-LHUXKHBRSA-N 442.487 4.071 10 20 IICD COc1cc(OC)cc(C2(F)CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c1 801753557 XSWYYKATLIHQKO-UHFFFAOYSA-N 439.531 4.250 10 20 IICD CCOC(=O)[C@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 802300366 FOKVGJHKDLKQHI-GMAHTHKFSA-N 426.532 4.058 10 20 IICD Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 809203434 XKITVIPCHMCWJU-UHFFFAOYSA-N 431.895 4.206 10 20 IICD Fc1cc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)ccc1N1CCOCC1 809753732 YWRVXZNRTVYLRV-UHFFFAOYSA-N 428.939 4.215 10 20 IICD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCCC3)cc2)CC1 810112549 XZAILODCMCKVEO-FCHUYYIVSA-N 427.589 4.186 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(Cc4cccs4)CCCCC3)cc2)C1 810182302 BDDBEFRZZZYIRP-FQEVSTJZSA-N 439.625 4.259 10 20 IICD COC(=O)c1cc(C(C)(C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 812211636 CFJMEOMPRQRVMZ-CQSZACIVSA-N 448.951 4.085 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(F)c(N2CCCC2)c(F)c1 916699701 ZEVDYGBXHVEDMM-UHFFFAOYSA-N 432.540 4.440 10 20 IICD O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 918140601 YAFZQMFXMGPJDI-RDPSFJRHSA-N 438.524 4.005 10 20 IICD Cc1c(CC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nnn1-c1ccccc1 919966526 JUVWSHBUQOCOLN-UHFFFAOYSA-N 429.524 4.006 10 20 IICD CCOC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 920396895 AYERLNVYQWKTHD-UHFFFAOYSA-N 433.346 4.272 10 20 IICD CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(OC)c(OC)c1 921060878 BTRKXDXQTHCULI-UHFFFAOYSA-N 433.508 4.421 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)cc1 1320394753 QHHTWBTXMXTOHS-UHFFFAOYSA-N 449.576 4.386 10 20 IICD COc1ccc(C[C@H](CO)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1O 1340818002 LXUHUPXBBHEBER-SFHVURJKSA-N 442.943 4.043 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3CC3(F)F)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776729 OUOKZVWHRFDKOM-CQSZACIVSA-N 436.842 4.154 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830280218 CBGUHIOLLRTNET-PXNSSMCTSA-N 446.975 4.341 10 20 IICD COc1ccc(N2CCN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)cc1 57548448 LBSLIXLMMUJZMD-UHFFFAOYSA-N 428.747 4.416 10 20 IICD COCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)oc2ccccc12 108283238 MECXRMKUGARPMQ-IYBDPMFKSA-N 426.488 4.262 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)CC2)cc1 110472145 RSXFRHHQXSBHNG-UHFFFAOYSA-N 436.552 4.063 10 20 IICD Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C 466354966 DGCOULJSNSUAMG-CPJSRVTESA-N 428.536 4.375 10 20 IICD Cc1cccc(-n2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2C(F)(F)F)c1 475930573 DJSFAOIEYRGWPF-UHFFFAOYSA-N 430.430 4.305 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccncc3)SC2=S)cn1 726986321 OOZAIFQDJYEYJO-XDHOZWIPSA-N 435.530 4.470 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 732242575 ZFVUDYVRBKJQQB-HNNXBMFYSA-N 439.453 4.112 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c(C)n1-c1ccccn1 733987235 PCBUWMBLWHGQSF-QGZVFWFLSA-N 444.457 4.396 10 20 IICD CC[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)c1ccccc1 738569172 SNVWKUSUKPKYNZ-IBGZPJMESA-N 443.411 4.189 10 20 IICD Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 741097138 LLMNJMJHACXXNI-UHFFFAOYSA-N 448.748 4.042 10 20 IICD Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C(=O)N(C)C 743186227 OZFHLEIYIVYXGM-QGZVFWFLSA-N 446.498 4.089 10 20 IICD Cc1ccccc1[C@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 745799050 FJKOVCLIQJFYCK-JOCHJYFZSA-N 445.510 4.348 10 20 IICD CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)NCc2cccc(OC)c2O)cc1 745831729 UMOHHTJTNQVECW-NHCUHLMSSA-N 428.529 4.379 10 20 IICD Cc1ccccc1-n1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1C 748531464 YYRAPLVGPMSNEW-QHCPKHFHSA-N 432.568 4.377 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cc(C)c(F)cc4F)cs3)ccc21 749010401 KVJXPSMKWVKDIJ-UHFFFAOYSA-N 449.504 4.107 10 20 IICD O=[N+]([O-])c1cccc([C@@H](O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 749663248 OFXHVNWYHKYLQV-FPOVZHCZSA-N 425.510 4.463 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(Br)cc2O)s1 756484360 VEFIEDLECHEXPC-LBPRGKRZSA-N 447.420 4.098 10 20 IICD C[C@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)cc(F)c1O 756675897 HOKGNPRGTIBJIO-ONGXEEELSA-N 429.236 4.028 10 20 IICD O=C(CCCCNC(=O)OCc1ccccc1)Nc1c(-c2ccccn2)nc2ccccn12 760595847 WSLVSRLPCKATSV-UHFFFAOYSA-N 443.507 4.432 10 20 IICD C[C@H]1CCCCN1Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761007366 ZEIVGNSFSSODFQ-KRWDZBQOSA-N 441.959 4.384 10 20 IICD C[C@H](c1ccccc1)N(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O 765492271 HYEHIBZUJKRFPY-LJQANCHMSA-N 425.550 4.438 10 20 IICD Cc1c([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nnn1-c1ccccc1 766238515 ULOFDNHRJRDELL-SJLPKXTDSA-N 427.499 4.497 10 20 IICD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 766294010 GSXDXLDDWKLLEV-URXFXBBRSA-N 435.499 4.407 10 20 IICD CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 767109833 XJKINAGXBSJILT-APBUJDDRSA-N 434.370 4.077 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1NC(=O)c1ccco1 771930213 RWZRVVGNWMVUHR-UHFFFAOYSA-N 439.855 4.168 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccc(-n3cncn3)nc2)cc1 772652773 DCJLVOOFOXRRHV-UHFFFAOYSA-N 426.484 4.074 10 20 IICD O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 772880038 SXPOULVOZVGSGQ-UHFFFAOYSA-N 447.721 4.318 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc(F)c(Cl)c2)nc1-c1ccccc1 775209027 QLWSBLWFZNJUHC-UHFFFAOYSA-N 425.894 4.362 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 780702604 CPZHVQJFNCPKTD-UHFFFAOYSA-N 442.497 4.216 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 782041152 IETXZHNLPGUGFW-CYBMUJFWSA-N 433.537 4.481 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n(-c2ccccc2F)n1 784059520 LUAOTOIXWYYLCW-UHFFFAOYSA-N 435.503 4.206 10 20 IICD COc1cc(Br)cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784107681 UNGNQQHYIVGEOZ-UHFFFAOYSA-N 446.345 4.202 10 20 IICD Oc1c(Cl)cc(Cl)cc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 786579375 QKZSFGWFXVWMTE-UHFFFAOYSA-N 427.279 4.282 10 20 IICD CC(C)(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F 788930899 WSLLFLWUILMBEO-OAQYLSRUSA-N 429.511 4.085 10 20 IICD Cc1nn(-c2ccccn2)c(Cl)c1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 796307232 IFQGSLDOHFDQIT-GOSISDBHSA-N 446.382 4.342 10 20 IICD CO[C@@H](C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)c1cnn(C)c1 798398353 URCORBQYQACKRV-PZJWPPBQSA-N 446.473 4.419 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3cccc(Br)c3)ccc21 800587857 CRDKOBKDSPZRGU-NRFANRHFSA-N 445.357 4.130 10 20 IICD CC(C)[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)N1CCOCC1 814771995 LFHDSZOUIZHOSB-PNDHZVEESA-N 446.619 4.488 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc(Nc2ccccn2)n1 857473523 ZZAGMGKORFCKKG-INIZCTEOSA-N 443.960 4.035 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2F)C[C@@H](C)O1 917167821 BXXLJTVPXBWYRO-OKILXGFUSA-N 441.330 4.441 10 20 IICD Cc1cc([C@H]2CCCN2C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)on1 918583870 ZZCKXGVIYARTJD-YHZJOHHESA-N 447.607 4.390 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)Cc3cccc(Br)c3)CC2)cc1 920420270 VRCKZPLDSHSSOX-KRWDZBQOSA-N 446.389 4.311 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1-c1ccccn1 1321706233 FKTSEVYOBHYZOC-UHFFFAOYSA-N 437.931 4.132 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccccc2)NC(=O)OC(C)(C)C)cc1 1322147535 LHUBJFWAWWVCAR-OAQYLSRUSA-N 441.572 4.292 10 20 IICD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCC2)cc1 1339301143 SOOTUCMGDMAFPT-QFIPXVFZSA-N 436.556 4.378 10 20 IICD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)on1 1787402408 RDAJFJQJHOITTB-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1)c1cc(O)nc(O)c1 1788429166 XJFHQJRIFYCRFF-UHFFFAOYSA-N 443.459 4.301 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)ccn3)C2)cc1 1844435564 NAMLZJOFUXSWFK-UHFFFAOYSA-N 448.954 4.273 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1OC(F)F 69435722 HOHPXQCIERQYQV-IBGZPJMESA-N 434.483 4.184 10 20 IICD Cc1c(CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)n(C)c2ccccc12 583342098 QWAJLFGKKKPIDK-OAHLLOKOSA-N 431.458 4.341 10 20 IICD CCCC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)Nc1cccc(N2CCCC2)c1 725852331 XNDIEWTWAQSPBR-FQEVSTJZSA-N 425.529 4.008 10 20 IICD COCCn1c(C)cc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c1C 726625268 DYURSBZBPFRWSY-YBFXNURJSA-N 432.567 4.174 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cccc(SC)c3)ccc21 728636857 DAQCTEIUKGXNRP-UHFFFAOYSA-N 426.538 4.422 10 20 IICD CCN1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc4ccccc4c3)cc2F)CC1 730235399 VYKNQXOOBNFPBG-UHFFFAOYSA-N 447.554 4.400 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1F 731346941 CRMXCGLGPBYJAZ-UHFFFAOYSA-N 443.588 4.316 10 20 IICD COC(=O)CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)ccc1O 731845440 YDAWRDLGCBINFL-UHFFFAOYSA-N 445.730 4.356 10 20 IICD Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1-c1cccc(Cl)c1 731857483 DJNHJJHQJAWFIY-FQEVSTJZSA-N 425.916 4.361 10 20 IICD CCOC(=O)Cn1ccc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc21 733631268 GWFKVYLQHICGON-UHFFFAOYSA-N 434.540 4.467 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@@H](C)[C@H]2C)c1 735645748 WPKDLVFIEYURMK-CVEARBPZSA-N 430.595 4.392 10 20 IICD CCN(CC)c1ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(=O)OC)cc3[nH]2)cc1F 739425292 NVEPGGSZSXANFO-YBEGLDIGSA-N 429.879 4.432 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)CC1 740915770 SQLBRRVIJCGUPT-UGKGYDQZSA-N 444.620 4.368 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)s1 742689713 JGMHDYVVQNSHJO-AWEZNQCLSA-N 437.403 4.139 10 20 IICD CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804830 BSSGDWALFBPMGD-QGZVFWFLSA-N 443.494 4.060 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NC(=S)N[C@H]3CCOc4ccccc43)C2)cc1 743015590 KLQWICWPUDMEFK-KXBFYZLASA-N 433.524 4.245 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 745776559 SFAHZSZSQXSODQ-NRFANRHFSA-N 438.616 4.094 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1O 750036893 RQLWMZFJTONDLJ-HNNXBMFYSA-N 440.931 4.177 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c1O 750044434 JGTYBLCWYUOWOZ-CYBMUJFWSA-N 446.960 4.239 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cccc(-c4ccccn4)c3C)cc2F)CC1 754882587 WDSUQVASLZODOW-UHFFFAOYSA-N 432.543 4.268 10 20 IICD C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756618280 RWHWBGUTGCWVDN-OYHNWAKOSA-N 426.494 4.144 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1cc(Br)ccc1O 756849749 DTDUAOJPNCVBSF-STQMWFEESA-N 430.306 4.119 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 768385911 UEELFYIUMRQZOL-JOCHJYFZSA-N 447.595 4.274 10 20 IICD Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 769191585 AIUZEUUCZOFVSL-QGZVFWFLSA-N 435.399 4.128 10 20 IICD CC(C)(C)[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21 770301696 SBDMVJGBONQQAV-UGKGYDQZSA-N 434.584 4.248 10 20 IICD CSc1cccc(C)c1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 770736080 XNNRVXGYFVUEEM-UHFFFAOYSA-N 449.523 4.042 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 772141587 FSTYVQWLOCOHGE-LJQANCHMSA-N 447.461 4.403 10 20 IICD C[C@@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773243701 DEHUGLRZNTZKAO-SJORKVTESA-N 445.405 4.402 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccccc2CN2CCC[C@@H]2CO)c1O 779050969 SILMYBVXFVXZLQ-OXQOHEQNSA-N 433.390 4.271 10 20 IICD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCC(=O)c1ccc(O)c(O)c1 782894902 WLWCSSGRSJSPQO-UHFFFAOYSA-N 449.290 4.176 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)c2)no1 783487560 WUDGGRHGNKHVTI-MRXNPFEDSA-N 441.491 4.360 10 20 IICD CC(C)(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 791155676 QCHNILWEEUUXEJ-IRVMHKCDSA-N 438.640 4.003 10 20 IICD C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800970545 CDVJGNQKFQQQHD-KRWDZBQOSA-N 440.531 4.051 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(C(=O)Nc4ccccc4)C3)c2C)cc1 801157097 RDMMEEXNZKKTPL-FQEVSTJZSA-N 432.524 4.139 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 802609524 DWLXRUMBQUANII-UHFFFAOYSA-N 442.519 4.474 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(-c2ccco2)cc1F 807990032 SXKMOQPEASGGEI-UHFFFAOYSA-N 437.515 4.205 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Oc2cccnc2)cc1 808898103 KRXKOYYVKZYOJD-UHFFFAOYSA-N 436.487 4.296 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1 812876300 CMNBXNPYJIVXJL-RUZDIDTESA-N 437.584 4.341 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)/C(=C/c1ccco1)NC(=O)c1ccccc1 813684192 MDHKXRXHABIOTO-WQRHYEAKSA-N 431.275 4.379 10 20 IICD C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1OCCc2sccc21 814115985 ACKNTVDYUNKLJS-AVYPCKFXSA-N 436.524 4.385 10 20 IICD Cc1cc(C(=O)NCc2cn3ccsc3n2)c(C)n1-c1ccc(Br)cc1 914610582 ZQJZSJYCSDSOAC-UHFFFAOYSA-N 429.343 4.496 10 20 IICD CCN(CCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916630682 ARGGNGHOGLJROD-UHFFFAOYSA-N 435.490 4.316 10 20 IICD C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917251756 GFYPXFSEWCDQKP-GFCCVEGCSA-N 435.505 4.262 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 917309102 JCGRPEBDUATWER-UHFFFAOYSA-N 444.940 4.143 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2C)no1 918633784 OJYIFDCEDUGZRZ-IAGOWNOFSA-N 440.519 4.073 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 1320671073 RHIBHLVQMYRALG-JTSKRJEESA-N 449.503 4.142 10 20 IICD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429063 RKRBJZBGDSKZKW-IXDOHACOSA-N 435.524 4.067 10 20 IICD Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1788809337 AUVPTJJBJNPYOW-UHFFFAOYSA-N 439.899 4.449 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC(F)F 13362736 XPSKWZGDONXKLX-UVTDQMKNSA-N 431.482 4.143 10 20 IICD COc1cccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 14805190 KMNPRSWCIWJGIF-OAQYLSRUSA-N 437.565 4.146 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 261484048 YXBFOVGEGCEHNO-QHCPKHFHSA-N 443.563 4.297 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)n(C)c2ccccc12 472807836 QVQWSPMBMDTSMZ-UHFFFAOYSA-N 441.535 4.195 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccccc3Br)CC2)cc1 726714972 CKIFKUMORIYBRP-UHFFFAOYSA-N 432.362 4.268 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)nc1-c1cccc([N+](=O)[O-])c1 727248161 GYUXTXAIFZBOJN-UHFFFAOYSA-N 441.494 4.013 10 20 IICD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 729535759 UTPNYUDSTFYVDQ-CQSZACIVSA-N 438.455 4.292 10 20 IICD Cc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c3c2CCC3)cc1 731856695 QRTRHCRRIISPRQ-NRFANRHFSA-N 431.536 4.196 10 20 IICD Cc1ccccc1-n1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2c1CCC2 731859593 XAGDQQPXJBTUEU-HXUWFJFHSA-N 431.536 4.196 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCC4)n2)cc1 737382402 SEPGFONPNOIMFQ-UHFFFAOYSA-N 441.578 4.472 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 740888741 OZOZGOGZLIKGSZ-HXUWFJFHSA-N 439.575 4.142 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccccc2F)NC(=O)OC(C)(C)C)cc1 742753050 ILHHMXHKUBLHJD-NKSQBSFPSA-N 427.520 4.287 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801311 PDBAZULABSKQPR-QGZVFWFLSA-N 443.498 4.321 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(F)ccc1Oc1ccccc1 743954489 BJALDLWXPJIAJQ-UHFFFAOYSA-N 434.467 4.457 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 751299123 IRCAWJPJQNNYOM-OAHLLOKOSA-N 431.883 4.041 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c([N+](=O)[O-])n1 751587227 FVWUHVBJWXJSNL-UHFFFAOYSA-N 448.313 4.042 10 20 IICD C[C@H](SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc2ccccc2[nH]1 752151470 IJPZGNOAXQRABO-FUHWJXTLSA-N 425.554 4.271 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)n1-c1ccc(Br)cc1 752251330 DWDINAVLIREJDH-QGZVFWFLSA-N 442.361 4.001 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccc(OC(F)(F)F)cc1 755632969 LYICVMACBOUEKB-UHFFFAOYSA-N 447.413 4.141 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3c[nH]nc3-c3ccccc3F)SC2=S)c1 755698811 IXOVKZMVWPEFGE-CXUHLZMHSA-N 425.466 4.320 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(Br)cc1-n1cncn1 758648945 BPTAZTBCAJVADJ-UHFFFAOYSA-N 426.318 4.272 10 20 IICD COc1ccc([C@H](C)NC(=O)NCCCSc2nccs2)cc1Br 759546311 PXSXXBQSTUNUAR-NSHDSACASA-N 430.393 4.457 10 20 IICD CSc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 766503957 CVJKKNQUTGQJLT-OAHLLOKOSA-N 427.975 4.137 10 20 IICD COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc3c(cc1O)OCO3)CC2 768179470 DBXGPDMHIRULJM-HSZRJFAPSA-N 425.506 4.347 10 20 IICD CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(OC)cc1 769638157 ZZDNAEHHODNFBK-GOSISDBHSA-N 446.550 4.144 10 20 IICD C[C@H](NC(=O)c1cc(F)c(F)cc1I)c1ccc(N(C)C)cc1 773019101 OPPZFIVIDGHJGG-JTQLQIEISA-N 430.236 4.126 10 20 IICD Cn1ccnc1[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 775190429 WBMKRDQPHDNMNP-NSHDSACASA-N 429.156 4.030 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 775372832 JTUFXMIDMMGJCM-QGZVFWFLSA-N 433.508 4.251 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2)CC1 776302617 SFNVVXUIZUFIPD-UHFFFAOYSA-N 446.525 4.263 10 20 IICD O=C(c1cn(-c2cccc(Cl)c2F)nn1)N(Cc1ccco1)Cc1ccccc1O 776477359 UQDIELPVWJWIFE-UHFFFAOYSA-N 426.835 4.201 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(Oc4cncc(Cl)n4)CC3)cc2)CC1 777510752 NEIOKRAXDDSZOX-UHFFFAOYSA-N 443.979 4.119 10 20 IICD COC(=O)[C@@H](NCc1cc(Br)cc(C)c1O)c1ccc(OC)c(Cl)c1 779179442 FHDYKGHONFSBJE-INIZCTEOSA-N 428.710 4.129 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)CC1 780977422 NCTSJVFUNSYXEF-UHFFFAOYSA-N 440.547 4.464 10 20 IICD Cc1cc(-c2ncccc2NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cs1 782895943 ASKJCYWCWPJSSR-SFHVURJKSA-N 449.580 4.142 10 20 IICD COc1ccc(N(CC(=O)N(C)Cc2cccc(OC)c2OC)Cc2cccs2)cc1 782965879 STGMKZBUAGMYSL-UHFFFAOYSA-N 440.565 4.439 10 20 IICD C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N2CCOCC2)c(F)c1 786953241 JISVTSPXFINPBB-VQIMIIECSA-N 448.380 4.354 10 20 IICD CCN(Cc1cccc(NC(=O)NCc2ccc(OC)cc2O)c1)C(=O)OC(C)(C)C 797628365 VTPDRQPBWUOWPH-UHFFFAOYSA-N 429.517 4.480 10 20 IICD COc1ccc(N2CCN(Cn3nc(Nc4cccc(F)c4)sc3=S)CC2)cc1 798151574 SSJVXUFTMCKJLW-UHFFFAOYSA-N 431.562 4.345 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(Br)o2)nc1-c1cccc([N+](=O)[O-])c1 799636072 FNZCTZBUYCTPSO-UHFFFAOYSA-N 444.288 4.183 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)cc2Cl)C1 799995333 YTDYPHJXXMZVNN-CDMIOBSGSA-N 438.037 4.430 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 802301714 QFGDMBWJJRSOJP-UHFFFAOYSA-N 427.936 4.447 10 20 IICD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)sc2C1 806846479 PVLZDGUGZPXMPA-KRWDZBQOSA-N 442.629 4.347 10 20 IICD CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1 820006032 HCRQBJGOILCATB-UHFFFAOYSA-N 435.528 4.372 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2c(O)cccc2Br)cc1OC 877853840 NIGFSDLBSLCKCP-LJQANCHMSA-N 447.329 4.120 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCc1ccccc1 913361117 HDTDMZMUDJMGDO-MHWRWJLKSA-N 448.363 4.394 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 916456781 RFEZZPHULZIPLA-UHFFFAOYSA-N 443.809 4.034 10 20 IICD O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N(Cc1ccco1)Cc1ccccc1O 916705685 XCMMAUVAVDSPEK-UHFFFAOYSA-N 433.489 4.276 10 20 IICD CCN1CCN(c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(C)c2)CC1 918027955 DITHQTSFKUMJBX-UHFFFAOYSA-N 435.616 4.399 10 20 IICD Cc1cc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1cccc(Br)c1 918680462 YRRVZXVDEZYRNU-UHFFFAOYSA-N 440.341 4.228 10 20 IICD OCC1CCN(c2ccc(CNCc3ccc(OC(F)F)cc3OC(F)F)cc2)CC1 1322599017 ARWRMCDQCGLYPH-UHFFFAOYSA-N 442.453 4.388 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(NCCc2cccs2)s1 28695493 DBIWGDVCRNVLRR-UHFFFAOYSA-N 447.655 4.071 10 20 IICD Cc1ccc(OCc2cccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)cn1 303605783 YBCOPLJTUNGNQO-UHFFFAOYSA-N 431.536 4.078 10 20 IICD CC[C@@H](C)N(C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1ccc(C(N)=O)cc1 463598464 XIXMSPIISFDXJD-LJQANCHMSA-N 446.595 4.338 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3(C)C)ccc21 540528349 RXIKNHIASPWDBM-UHFFFAOYSA-N 427.589 4.014 10 20 IICD CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 726316041 UTXFUZVXHMPGJA-GOSISDBHSA-N 435.528 4.195 10 20 IICD Cc1ccn(-c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)n1 726567366 INQIFFAGMJXIMK-UHFFFAOYSA-N 426.467 4.181 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 727245818 OIQRMTRFPLHVCJ-UHFFFAOYSA-N 432.523 4.023 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 727477586 IKZRIVSCRHGVAJ-OPAMFIHVSA-N 447.938 4.160 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2F)C[C@@H](C)O1 727708666 ZDLREMPCQBLSAT-HUUCEWRRSA-N 429.923 4.433 10 20 IICD O=C1CCCc2cc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc2N1 728694027 QTKWWFVHOXMEER-UHFFFAOYSA-N 444.482 4.353 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 728758980 WCHNEOUFRGVZSB-UHFFFAOYSA-N 446.551 4.104 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc2c(c1)CCO2 731080642 DJGMJDAEQIKOLF-UHFFFAOYSA-N 443.369 4.370 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 734067476 YXIYILWPRHTRJP-NRFANRHFSA-N 434.471 4.130 10 20 IICD CC(=O)N(c1nc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1)C1CC1 734511070 VYEQLXZLAIBDCO-UHFFFAOYSA-N 436.528 4.018 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC(c1cccs1)c1cccs1 738496125 NXZVWECLAQYKFA-UHFFFAOYSA-N 445.585 4.499 10 20 IICD Cc1cccc(C)c1NCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755451 XCFNUXROEBQOCK-OAQYLSRUSA-N 440.588 4.164 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccccc3C(C)(C)C)n2)o1 743046004 KDDATUHZXRTWCF-UHFFFAOYSA-N 433.555 4.138 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2c(O)cccc2Cl)NC(=O)OC(C)(C)C)cc1 743725758 ZBYZUWCWUHRYCG-KRWDZBQOSA-N 433.936 4.107 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1Oc1cccc(F)c1 743958490 ZWMZAWOYGMCHLD-UHFFFAOYSA-N 434.467 4.457 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 745888796 UDMDQZSWVVTQSY-UHFFFAOYSA-N 426.948 4.294 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1N1CCSCC1 750322338 YNVOJQTYTWVSDP-UHFFFAOYSA-N 440.613 4.049 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751919597 PEDFYBLSPZTBME-UHFFFAOYSA-N 445.928 4.082 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(F)cc1Cl 751921201 YGXOJSQQZVRULO-LLVKDONJSA-N 433.892 4.293 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 753270230 QYNSUIGCFNKKMQ-QFIPXVFZSA-N 440.540 4.063 10 20 IICD CC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1nc(C(F)(F)F)cs1 753940837 OFOBAUQWUHBAOL-AWEZNQCLSA-N 446.470 4.293 10 20 IICD COc1ccc(N2CCN(C(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)CC2)cc1 756864828 XYZGFUJVDMCBKG-UHFFFAOYSA-N 444.457 4.375 10 20 IICD Cc1cccc2c1CN(C(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 758379208 FTHKETNZTMKRIR-UHFFFAOYSA-N 433.474 4.118 10 20 IICD CCc1ccc(-c2noc([C@@H](C)NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 760882077 PLGPFHRYLDBWJT-GOSISDBHSA-N 449.555 4.038 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCN(c2ccccc2Cl)C1 761280874 TXFXUZWPAHETEW-INIZCTEOSA-N 434.323 4.132 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccccc1OCc1ccccc1Br 762260932 CLDWYFWJIQHJFS-UHFFFAOYSA-N 442.309 4.412 10 20 IICD COc1ccc(C[C@@H](CO)CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1O 762985216 ZGVXOQBKHQCCEZ-GOSISDBHSA-N 442.943 4.043 10 20 IICD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)NCc2cccc(OC)c2O)c1 764235753 MOOAOQYVFFQBJS-UHFFFAOYSA-N 436.464 4.088 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1nnc(Cc2cccc(F)c2)s1 765282389 TYNFSGSPHVKYFE-UHFFFAOYSA-N 437.294 4.058 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)cc2F)C[C@@H](C)O1 766351842 ANUFNPKALGGKBD-BQGCOEIASA-N 436.449 4.277 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccco3)c3ccccc3OC)CC2)cc1 769202635 NGUVWWPYAWVOCX-XMMPIXPASA-N 435.524 4.308 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](c3ccco3)c3ccccc3OC)CC2)cc1F 769203770 RYOQGYLYZJHUNY-HSZRJFAPSA-N 439.487 4.057 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@H]1CCO[C@]2(CCSC2)C1 776250618 JKQNDIQVJOSNDC-SWLSCSKDSA-N 437.197 4.062 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cc2)CC1 776301218 RCXBIEPQRAYTER-UHFFFAOYSA-N 428.554 4.072 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCc1nc2ccccc2[nH]1 782956482 LETRUQKLHLBELF-UHFFFAOYSA-N 431.334 4.195 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3cncc(SCc4ccccc4)n3)cc2)CC1 786065347 AIIICEXHIMHTGW-UHFFFAOYSA-N 433.581 4.050 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2 789369426 AAYRJMRXEXZULB-UHFFFAOYSA-N 440.613 4.390 10 20 IICD COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)c1C 789739868 OFHXRTJYMGRWQV-UHFFFAOYSA-N 442.566 4.490 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cn1 790106622 RCUGYFRLANHVFT-CXUHLZMHSA-N 437.949 4.363 10 20 IICD COCCCC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 792049072 AHBPCTREZWCCAF-YKSBVNFPSA-N 425.573 4.441 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c1 799186877 ISLTWQAUAQHOFX-UHFFFAOYSA-N 428.539 4.205 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 800700424 DYTFCEYURAJINP-QHCPKHFHSA-N 446.016 4.094 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 802029035 KQFMZAYPILKYQB-JOCHJYFZSA-N 425.529 4.022 10 20 IICD CCC(CC)c1cc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)on1 803676697 BWQZKKBGMGLJCS-UHFFFAOYSA-N 440.588 4.280 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(CN2CCCC2)cc1 807929520 AZSAYGGHPFPSEZ-UHFFFAOYSA-N 437.584 4.285 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 809197123 DKABGNVRYSKQDK-IFMALSPDSA-N 425.548 4.083 10 20 IICD Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 871792632 HSUQGOKGDVRIFG-UHFFFAOYSA-N 436.961 4.158 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)c2ccccc2F)c(C)n1-c1ccc(OC(F)F)cc1 915678977 CNAAAYQAYCQBAH-UHFFFAOYSA-N 437.439 4.491 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cn4cccn4)c3)cc2F)C[C@@H](C)O1 916677923 VOPJJHLVMUNOHV-HDICACEKSA-N 437.519 4.006 10 20 IICD CCN(CC)CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920920304 LQUSUQVYPWWPNC-HXUWFJFHSA-N 444.645 4.199 10 20 IICD C[C@@H]1CCc2nc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)sc2C1 1319628007 HFKSHDRTSBVYRM-CQSZACIVSA-N 425.520 4.413 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)CC2)cc1 1326344757 TXFXWPCQLHFEJU-UHFFFAOYSA-N 439.737 4.082 10 20 IICD CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1350554021 ZDIKFVVEJNYRKT-OAQYLSRUSA-N 425.916 4.047 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1cccs1 1816345826 RNUMXTLRUAJJJQ-CQSZACIVSA-N 446.916 4.156 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)ccc3F)C2)cc1 1845338516 JDKODSYKNLYONQ-UHFFFAOYSA-N 447.510 4.070 10 20 IICD Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 108453983 AIKFMLRQZJNKFX-KDURUIRLSA-N 426.532 4.335 10 20 IICD C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCC(O)CC5)c(F)c4)cc3c2C1 195641010 ZERRCDAMODMQOS-INIZCTEOSA-N 435.543 4.323 10 20 IICD O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2ccc(N3CCOCC3)cc2)s1 210230844 ZQJIUPPSCLUAGO-NBVRZTHBSA-N 426.929 4.364 10 20 IICD Cc1cn(-c2ncccc2F)nc1NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 435920632 MADFEGKCUFLLSM-UHFFFAOYSA-N 446.530 4.075 10 20 IICD CC(C)n1ncc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc(-c3ccco3)nc21 437024834 KPXGOMQSUAOMHP-UHFFFAOYSA-N 431.496 4.377 10 20 IICD Cc1cc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)ccc1NC(=O)C1=S=CC=C1 470199252 XIVGEIDRDPNVLC-UHFFFAOYSA-N 448.523 4.156 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccc(F)cc3)C(C)C)cc2F)CC1 730132779 FUPHILFBOMBIRE-UHFFFAOYSA-N 430.543 4.227 10 20 IICD C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 731281035 NUCBTQJVYRHOMJ-SFHVURJKSA-N 425.548 4.297 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 731346641 NMFCVKYKWGSBEV-HOYKHHGWSA-N 439.575 4.288 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 734404457 GIJBZGOLKJKQNP-QGZVFWFLSA-N 433.512 4.467 10 20 IICD CCOC(=O)c1sc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C 738917916 KKGXWUNUBMWPCZ-GASCZTMLSA-N 449.548 4.308 10 20 IICD O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 741136502 DHTBFNXOLQMJMC-UHFFFAOYSA-N 441.534 4.056 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)c3ccccc3C(F)(F)F)CC2)cc1 741894063 QWKCPLFHELIFRM-SFHVURJKSA-N 449.517 4.146 10 20 IICD CC[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 742922017 QGYIJJVEECFOLN-JMRXEAOASA-N 426.654 4.084 10 20 IICD Cc1cccc2c(CCNC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c[nH]c12 743554387 CMOGABAYCNRXFK-ROUUACIJSA-N 438.547 4.271 10 20 IICD C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 748631665 DDFKQXOSXBEZQZ-IWMITWMQSA-N 429.358 4.267 10 20 IICD Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Br)n1 755936631 MEXHOQKWCDLSCH-CYBMUJFWSA-N 440.288 4.153 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 759090361 OAKVQPUJQHTLSY-UHFFFAOYSA-N 443.547 4.250 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 759614180 WZTPNFBKIJSORS-RDJZCZTQSA-N 435.362 4.241 10 20 IICD CCc1ccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 760746774 XCDGDIHWVZVLDF-ROUUACIJSA-N 449.555 4.257 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1F 760948136 QDVBGJVKAHPDFS-UHFFFAOYSA-N 442.516 4.014 10 20 IICD O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 761636836 RBHKYWYSMWWENT-GOSISDBHSA-N 449.885 4.375 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 763776830 NVGQMUYRKMKRTG-UHFFFAOYSA-N 444.963 4.132 10 20 IICD C[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl 764866782 VYUIKBMJHKKOAP-GOSISDBHSA-N 427.976 4.150 10 20 IICD O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1cccc(Br)c1O 765733243 VYRSCGZTXLXQNH-UHFFFAOYSA-N 428.735 4.040 10 20 IICD CN(C)c1ccc([C@H](CNCc2cncc(Br)c2)NC(=O)OC(C)(C)C)cc1 767183666 ZWRXICMSELGZFC-IBGZPJMESA-N 449.393 4.266 10 20 IICD C[C@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)cc(Cl)c1O 769989637 VVLCNYTVJILNKW-NSHDSACASA-N 437.725 4.356 10 20 IICD Cc1nc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)sc1Br 771764698 ZZKGTTULZXVKAF-UHFFFAOYSA-N 431.377 4.053 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC 771792286 YHRXBFJEGOABPT-QHCPKHFHSA-N 439.600 4.344 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 772625228 DVQJBHRRRCOYMS-SFHVURJKSA-N 445.844 4.419 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c(C)n1CCc1cccs1 772774397 IUBMJCRGGMCLBG-VURMDHGXSA-N 425.506 4.260 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc(F)cc2Cl)nc1-c1ccccc1 775207130 HDMRAHDAAMGXKL-UHFFFAOYSA-N 425.894 4.362 10 20 IICD COc1cc(C)c(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 775893805 WLCCVAAFDCRKIU-UHFFFAOYSA-N 441.425 4.320 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 776245534 HUBQYHXPTAVRDS-HOYKHHGWSA-N 447.583 4.399 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2cc(Br)cc(C)c2O)N2CCOCC2)cc1 779006361 NXINVZMGGFLTHN-HRAATJIYSA-N 449.389 4.196 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 783306340 HSYQVWVTLAOTAO-HNNXBMFYSA-N 426.513 4.280 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 785198730 YZWXBPDQSORTTO-UHFFFAOYSA-N 442.313 4.137 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N[C@H](c2cccs2)C2CC2)cc1)C1CCCCC1 785792878 WJVCACXRBINMDW-QFIPXVFZSA-N 425.598 4.401 10 20 IICD Cc1occc1-c1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1 786215767 XDZBGMMDGZSOSO-OKILXGFUSA-N 428.464 4.317 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](c3cccc(Cl)c3)C(C)C)cc2)CC1 786660173 XEJJRXRJMGWSEC-HSZRJFAPSA-N 427.976 4.065 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 789371392 YQSUMTPENIOXRX-BJLQDIEVSA-N 440.613 4.490 10 20 IICD CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2ccc(OC)cc2O)cc1 792865251 UWSTZAQQTZTHNU-UHFFFAOYSA-N 437.496 4.376 10 20 IICD CCO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 799993098 CCQIWYAYPIJKII-JKSUJKDBSA-N 449.983 4.398 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 807574232 OFLMNKDVYDAHBH-GOSISDBHSA-N 442.526 4.008 10 20 IICD COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)C(C)=O)c1 808010590 DSWWAANKFQRKPL-CIAFOILYSA-N 436.533 4.454 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC[C@H]1c1ccc(F)cc1)c2[N+](=O)[O-] 844146945 SZSPYTNSNVZERC-FQEVSTJZSA-N 444.418 4.487 10 20 IICD Cc1cc(C(=O)NCCc2cn3c(n2)CCCC3)c(C)n1-c1ccc(Br)cc1 914848419 SLODSRKIBFSMPI-UHFFFAOYSA-N 441.373 4.362 10 20 IICD O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293995 LPNPYVWNIOMGPY-UHFFFAOYSA-N 434.492 4.474 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1 918310951 PSPKJPAUQOYJCR-UHFFFAOYSA-N 446.551 4.104 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1COc1ccc(Cl)cc1 918780782 QTMDHCOGHDTPAX-IBGZPJMESA-N 447.938 4.069 10 20 IICD Cc1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1 919485547 DPZKBNGIWCUCHA-UHFFFAOYSA-N 428.435 4.368 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3ccc[nH]3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789685295 ZETSFVKFWVSMTA-UHFFFAOYSA-N 425.872 4.141 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828485846 HOOJGZBBJDZBKH-ZTNFWEORSA-N 448.991 4.421 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCCc1ccccc1C 24146608 RDCCKOKJIQFFNY-UHFFFAOYSA-N 437.565 4.101 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OC(F)F)SC2=S)cn1 726986765 XHTSHWXAVBLDLT-QPEQYQDCSA-N 439.421 4.006 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1nnc(SC)n1C1CCCC1 728134961 RLHVZWYVACKEIU-UHFFFAOYSA-N 444.649 4.345 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 728835919 PCEVKDXJWFQYQW-UHFFFAOYSA-N 426.476 4.086 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1 729048364 BQFVZLWAALCXBP-KRWDZBQOSA-N 430.508 4.359 10 20 IICD COc1cccc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1O 729859145 HYLHLWULIASFPO-UHFFFAOYSA-N 437.546 4.481 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc2)CC1 731048352 JZXOVNNNYULRBB-UHFFFAOYSA-N 427.980 4.003 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 731131468 JOYGDQHDZBHMPB-UHFFFAOYSA-N 435.446 4.076 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734067033 DXKQRGPQXVLHFG-QGZVFWFLSA-N 437.462 4.491 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 734687167 MAQBCBFHIKCMJD-HXUWFJFHSA-N 432.362 4.107 10 20 IICD COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1NC(=O)C1CCCCC1 734936624 MIQWTYDVFBZEIF-UHFFFAOYSA-N 427.501 4.250 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(cnn4C(C)C)c3)cc2)CC1 737191429 RKWVOBITUJDYOT-UHFFFAOYSA-N 433.556 4.108 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nc1-c1ccccc1 743045913 FKSYWDUMLGKOMW-UHFFFAOYSA-N 442.440 4.205 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 743046704 NDFPLFMKYKCCAM-UHFFFAOYSA-N 443.959 4.124 10 20 IICD CO[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(Cl)c1 743555329 VXXZWLFQTXXZGB-XCGNWRKASA-N 449.954 4.280 10 20 IICD Cc1oc2c(CN3CCO[C@@H]4C[C@@H](N(C)C)CC[C@H]43)c(O)ccc2c(=O)c1-c1ccccc1 746647378 INLGRMLKDHHTSL-BPUDTRNYSA-N 448.563 4.158 10 20 IICD CN1CCCc2cc(CNC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)ccc21 746811440 FTJAJHFPTIXKFB-QHCPKHFHSA-N 441.575 4.391 10 20 IICD O=C(COc1ccc(C(=O)NCc2ccccc2O)cc1)Nc1cccc(C(F)(F)F)c1 748353812 PTUUPPHTGACMSN-UHFFFAOYSA-N 444.409 4.359 10 20 IICD CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1 751612129 MYTUGGPMJFVPRG-NQIIRXRSSA-N 432.515 4.391 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 758470823 GFQMMKZKESKABP-NRFANRHFSA-N 445.611 4.161 10 20 IICD COc1cc(N2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)cc(OC)c1OC 758920063 SESBYPUDGMYDSA-UHFFFAOYSA-N 439.940 4.024 10 20 IICD CN(C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](c1ccccc1)c1ccc(F)cc1 759594895 NZWCMVJMZKJWCI-MTAGHISXSA-N 435.451 4.041 10 20 IICD Cc1cc(C(=O)CN2CCC(S(C)(=O)=O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 760932256 AZDSTHSBEUBGRW-UHFFFAOYSA-N 443.396 4.093 10 20 IICD Cc1coc(-c2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2C)n1 764229114 MFFFMWHGLDTGJO-UHFFFAOYSA-N 438.503 4.380 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 768341353 HICGYOFDMAKTFP-CALCHBBNSA-N 428.552 4.099 10 20 IICD Cc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1N(C)C(=O)/C=C/c1cncc(F)c1 769731314 RDHKSKNAGJRZOG-LDFAFZTOSA-N 448.473 4.416 10 20 IICD CCCS(=O)(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 770542237 MFIBODIPSALUFJ-UHFFFAOYSA-N 432.546 4.349 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 772826772 GTJCRENOBKPNQO-UHFFFAOYSA-N 431.495 4.420 10 20 IICD Cc1ccc(I)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 775861367 VYPDAOGMWGTFBM-UHFFFAOYSA-N 433.293 4.298 10 20 IICD Cc1cc(C(=O)CN2CCC(O)(C(F)F)CC2)c(C)n1-c1ccc(Br)cc1 778309557 RKGJUQSOKLKWCM-UHFFFAOYSA-N 441.316 4.131 10 20 IICD Fc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ncc[nH]2)cc1 783222328 IZEUJFHQICAKQK-HXUWFJFHSA-N 434.437 4.283 10 20 IICD Cc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc2cccnc12 784516070 KZQRKXQGQHXIOQ-UHFFFAOYSA-N 442.542 4.089 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)cc1 785915422 CJAPVNARUJWPFN-UHFFFAOYSA-N 448.317 4.027 10 20 IICD COC(=O)[C@@](C)(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 787915734 UYMHLJYYGWSKQI-VWLOTQADSA-N 444.491 4.288 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(OC(F)F)c(F)c1 790477189 CBNUBLORBCXKOJ-UHFFFAOYSA-N 428.413 4.244 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 791247240 BVXFWQRGEICBGB-UHFFFAOYSA-N 438.503 4.218 10 20 IICD CCC[C@@H]1CCc2nc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)sc2C1 799441963 RTXDQTVFZWUQPM-OAHLLOKOSA-N 446.592 4.470 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2Cl)C1 800000370 CMPLOVCWIYPJJM-HNNXBMFYSA-N 435.977 4.302 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 802610174 SQPXIMQDAOXPJY-UHFFFAOYSA-N 445.519 4.412 10 20 IICD CO[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 802754255 NOIGDTJZJSNHKP-IRLDBZIGSA-N 435.572 4.004 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809388858 FZUIINUQSUXCQC-UHFFFAOYSA-N 432.329 4.178 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)c1cccc(Cl)c1Cl 857439442 MXEITZCFWHREMB-UHFFFAOYSA-N 433.257 4.377 10 20 IICD C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H]2CCCC[C@@H]21 915175976 HDZSJZFLKYCPFJ-SXGZJXTBSA-N 432.476 4.411 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 916626082 STIYFIDEVVLIOW-GOSISDBHSA-N 440.613 4.224 10 20 IICD Cc1nc(O)cc(-c2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)n1 916684376 HPMXVXFVLNTESJ-FQEVSTJZSA-N 434.496 4.076 10 20 IICD O=C(c1ccsc1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 917481710 WIEKAKLMSGLJFX-UHFFFAOYSA-N 431.355 4.327 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3coc(-c4ccc(C)cc4)n3)CC2)cc1 917952628 BFKMIDKJVJLQEM-UHFFFAOYSA-N 437.565 4.241 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)cc1 918462109 RPLCPQNTSNUZOP-UHFFFAOYSA-N 447.510 4.179 10 20 IICD C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 1317765035 PPRQRTJHNACIGK-GOSISDBHSA-N 446.478 4.474 10 20 IICD CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1841406797 DPERSULIKJYYSU-HXUWFJFHSA-N 442.943 4.008 10 20 IICD CCCCCCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 24462864 XERPPOADYQFTHQ-RVDMUPIBSA-N 441.416 4.347 10 20 IICD COC(=O)c1ccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1 726626389 FLXNAANHPZRIFY-XDJHFCHBSA-N 426.563 4.201 10 20 IICD CCCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730133327 OLOCVCDMBGGEAT-UHFFFAOYSA-N 430.543 4.229 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1F 731345784 IZBRNCBZPXBORU-UHFFFAOYSA-N 446.573 4.301 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CN(Cc3ccccc3O)C3CCCC3)cc2)C[C@H](C)O1 731845706 IDOHGDXFGJYMNO-PMACEKPBSA-N 437.584 4.389 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)n1 737378185 ACAPTTAYXMTQLB-UHFFFAOYSA-N 435.502 4.025 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)cc1C 741136465 BQNCSYGBKJMJIO-UHFFFAOYSA-N 429.523 4.184 10 20 IICD CN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 741734554 GKYTUGUZVWEUAN-HHHXNRCGSA-N 443.591 4.055 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3ccc(O[C@@H](C)C(N)=O)cc3)c2C)cc1 742361289 TUYVAJCGSCTSIL-SFHVURJKSA-N 436.508 4.007 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1 743124944 WJLKVXLICQOIRR-UHFFFAOYSA-N 436.306 4.411 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)cc1F 743599213 RPIOPZHIBAPOGO-HNNXBMFYSA-N 441.507 4.291 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(Cc2ccccc2)c1C 743808083 PKFLVRVAFKCZGY-UHFFFAOYSA-N 428.330 4.370 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(-c2cccc(Cl)c2)c1C 743808463 VINNDSNOZXBZRB-UHFFFAOYSA-N 449.736 4.360 10 20 IICD CN(CCCOc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745906177 XYEVFRFCYKOICL-SFHVURJKSA-N 433.499 4.367 10 20 IICD O=C(NCc1ccc(OC2CCCCC2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 750322645 KIUVTIGZYIEHPD-QFIPXVFZSA-N 439.556 4.390 10 20 IICD COc1cc(OC)c2cc(CCCNC(=O)c3cc(C)n(-c4ccccn4)c3C)[nH]c2c1 753713391 KILSMWKLHFOJME-UHFFFAOYSA-N 432.524 4.350 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1 755787602 VLXRZWDAXNALTK-NSHDSACASA-N 432.270 4.069 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 756021318 QGMODKGJSWGGIC-FQEVSTJZSA-N 440.540 4.490 10 20 IICD CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc2c(c1)OCO2 756288011 TULACBLCVLQSQY-GZTJUZNOSA-N 446.575 4.121 10 20 IICD CSCC[C@@H](N[C@H](C)c1cc(Br)c(F)cc1O)c1nnc2ccccn12 756367166 XDMRAJWXAXLWMI-IAQYHMDHSA-N 439.354 4.482 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)ccc2O)cc1 756462668 YIKXYCOTRGJMFC-AWEZNQCLSA-N 441.391 4.034 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 756463588 UKMLHPCQQODUEF-QZTJIDSGSA-N 429.561 4.424 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1O 757279224 ZQGUACGZWNNICM-SFHVURJKSA-N 449.576 4.172 10 20 IICD COc1cc(N2CCN(Cc3ccc(OC(F)F)c(Cl)c3)CC2)cc(OC)c1OC 761219275 MHCYPLLJYMUCPY-UHFFFAOYSA-N 442.890 4.289 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)c1 761967472 MYCCMNOJZVZZDR-NSHDSACASA-N 428.710 4.463 10 20 IICD C[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 762511464 SKPIFLDTWRPYKL-JKSUJKDBSA-N 427.595 4.491 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C)n1-c1cccc(C(C)C)c1 765344786 AWAZUEKSPVVTTO-FQRUVTKNSA-N 436.644 4.316 10 20 IICD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O)O[C@H](C)C2 765750742 KXHZKWNWADTRKZ-ISTRZQFTSA-N 446.341 4.297 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1c1ccc(Br)cc1 765751133 PFOMKTAXHCBLFN-UONOGXRCSA-N 425.120 4.337 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccnc1OCC(F)F 766507460 KCANSXQTWKPGIF-UHFFFAOYSA-N 430.249 4.248 10 20 IICD COc1ccc(Nc2cc(NCc3ccc(N4CCC(CO)CC4)cc3)ncn2)c(OC)c1 766932851 HIHIMEIYBNQLJT-UHFFFAOYSA-N 449.555 4.058 10 20 IICD CN1CCO[C@@H]([C@H](NCc2ccc(N3CCSCC3)cc2)c2ccc(Cl)cc2)C1 769014450 YGAKLNIQZVOADJ-DHIUTWEWSA-N 432.033 4.055 10 20 IICD CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 773362400 DWVSJJANIPWBEJ-UHFFFAOYSA-N 443.550 4.283 10 20 IICD CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)OCC3 773769496 WMRANVIKODXEFC-YHAMSUFESA-N 436.552 4.457 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F 775994909 NHCWTDZYJIZWTC-FQEVSTJZSA-N 448.445 4.046 10 20 IICD C[C@H](NCc1nc2ccc(Br)cc2n1C)c1ccc(N2CCOCC2)cc1 776800099 VFDGCLDJRHSKNA-HNNXBMFYSA-N 429.362 4.023 10 20 IICD CSc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1[N+](=O)[O-] 776803336 WTYBPQNVMPLVFP-UHFFFAOYSA-N 426.542 4.101 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 779161528 HBOJLLOTYPKRQF-UHFFFAOYSA-N 438.478 4.338 10 20 IICD O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(C(F)F)c1 780797471 BWFRDCDQUDTNDN-AWEZNQCLSA-N 432.439 4.173 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 783317586 WTOWTEOTNBYVBE-UHFFFAOYSA-N 449.599 4.313 10 20 IICD COc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C(C)C)cc1 785543341 IGGSJLKHUNNZNC-QHCPKHFHSA-N 436.508 4.036 10 20 IICD O=C(Nc1ccc(Cl)cc1-n1cccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 788311935 QMVALWNCJDRPHH-GOSISDBHSA-N 426.904 4.444 10 20 IICD OCC1CCN(c2ccc(CNCc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc2)CC1 796277612 DYKWQDHHIWCOAV-UHFFFAOYSA-N 444.501 4.390 10 20 IICD C[C@@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@@H](CO)C4)ncn3)cc2Cl)C1 799963337 JUNYOAMFNFNWFR-IEBWSBKVSA-N 429.996 4.187 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 802609762 IWTLFPVWSJWHAH-UHFFFAOYSA-N 441.272 4.200 10 20 IICD CCSc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 804590180 ZMVANMBFTJKUHD-QGZVFWFLSA-N 425.598 4.233 10 20 IICD O=C(NCC1(c2ccccn2)CCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 805839966 WGWJFYQXBTZYCY-UHFFFAOYSA-N 430.499 4.073 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](CCO)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 806457223 GWCXBUWYRPIGRP-WHSLLNHNSA-N 449.954 4.016 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 807079391 PQKSEAOIBRHWSX-HNNXBMFYSA-N 438.446 4.489 10 20 IICD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807675690 ZWPDRQZMBULOLZ-GCJKJVERSA-N 425.573 4.232 10 20 IICD C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 812435069 ZKYBLRVYTXZBJS-UWJYYQICSA-N 440.519 4.468 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1 813855887 SSTURNFRMFYMRN-HXUWFJFHSA-N 436.531 4.475 10 20 IICD O=S(=O)(c1ccccc1)c1cccc(NCc2ccc(N3CCOCC3)c(F)c2)c1 864018239 VTQKYOBWDNZQHW-UHFFFAOYSA-N 426.513 4.107 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 915698679 BSLQKFWKRHTFQB-OALUTQOASA-N 425.577 4.205 10 20 IICD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 917998162 DVKHDISOMDRVML-DEOSSOPVSA-N 437.584 4.411 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 918209849 JXGRILWASJFBAL-HZPDHXFCSA-N 442.560 4.091 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1Cl 918303864 LUTSYEQMQCZZHK-UHFFFAOYSA-N 438.753 4.156 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cn3ccc4ccc(Cl)cc43)cc2F)C[C@@H](C)O1 919692462 MACJNQMJJPELMC-HZPDHXFCSA-N 429.923 4.364 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 1320508442 WLILLSFZEKGZGD-HNNXBMFYSA-N 426.513 4.185 10 20 IICD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)nc1C 1845398282 VQYRMYVCKPODHO-UHFFFAOYSA-N 442.563 4.237 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 23885081 YPCSCDCVNHFHQX-UHFFFAOYSA-N 437.565 4.145 10 20 IICD Cc1cc(-n2c(C)cc(/C=C3/NC(=S)N(Cc4ccccc4Cl)C3=O)c2C)no1 105556343 WLZMPZVWLLBZDA-VCHYOVAHSA-N 426.929 4.302 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)nn3-c3cc(C)nc(C)n3)ccc21 429879894 PBRWDYQUKXKIPV-UHFFFAOYSA-N 432.528 4.058 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(C4CC4)c(C(=O)OC)s3)ccc21 536277891 PFAUZCJGLKTXDO-UHFFFAOYSA-N 427.526 4.277 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)ccc21 540540718 ASCWETIAAWDTON-GMAHTHKFSA-N 428.479 4.443 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)oc1C 726626713 KEGLZFPUSKUDEA-QGOAFFKASA-N 430.551 4.102 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 727247097 QBYQAJHIAUVGIE-UHFFFAOYSA-N 438.527 4.259 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2sc(C)nc2C)cs1 727248470 RLUCLUDRCPIBKH-UHFFFAOYSA-N 443.959 4.124 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 732173077 JCYUEGZDDYPSGW-HNNXBMFYSA-N 427.599 4.391 10 20 IICD COc1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC(F)F 733334336 HDBOZYNPMKLRSD-KRWDZBQOSA-N 426.891 4.410 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](OC)c3ccc(Cl)cc3)CC2)cc1 736403281 RTAMIPIVCPZKRT-JTSKRJEESA-N 431.964 4.347 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)CC2)cc1 739002075 CVDFXZVYEHVWSJ-LJQANCHMSA-N 439.531 4.108 10 20 IICD Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(C)c1OCC(=O)N1CCCCC1 741552085 IADCDAXNNVDLDF-UHFFFAOYSA-N 449.595 4.007 10 20 IICD CCO[C@H](C)c1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 742551526 ICFDHPKMLMQSFX-CYBMUJFWSA-N 443.491 4.026 10 20 IICD CSc1cccc(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)c1 743431050 TWNYXHAWIWVAKM-GOSISDBHSA-N 436.533 4.289 10 20 IICD O=C([C@H]1CCCN(c2ncnc3sccc23)C1)N(Cc1ccco1)Cc1ccccc1O 743431076 QEUNPDABCYPWGE-SFHVURJKSA-N 448.548 4.435 10 20 IICD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 743564917 QUYPKYFOGIZHPG-ZWSUVBHBSA-N 437.584 4.360 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 745903526 JYSCSKCWSSAWPX-RXVVDRJESA-N 449.473 4.179 10 20 IICD CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 748616337 ZKPFQFAVMOMRFL-QHCPKHFHSA-N 445.604 4.280 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 749730203 LIQUQNUFHCOVHQ-UHFFFAOYSA-N 445.541 4.098 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)c2C)cc1 750798837 TZHQAHTWCKNFEY-GOSISDBHSA-N 427.545 4.090 10 20 IICD C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751931716 PNTVXVXHEXHEDI-CQSZACIVSA-N 443.956 4.346 10 20 IICD CC(C)c1cccc(-n2cc(O)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n2)c1 752801376 YGMBCMILCHFLJJ-NRFANRHFSA-N 435.524 4.228 10 20 IICD COc1cc(Br)cc(CN2CCc3c(ncn3-c3ccc(C)cc3)C2)c1O 754151330 XYJZBJURNZQJLK-UHFFFAOYSA-N 428.330 4.216 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)ccc21 754544845 QOTOLVFFLYUVLH-UHFFFAOYSA-N 429.447 4.288 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1 764533865 NKFODWLEIMKLGK-UHFFFAOYSA-N 440.300 4.282 10 20 IICD C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1Cl 765529889 SSMMQHOUWWIMJC-YADARESESA-N 442.003 4.061 10 20 IICD Cn1ccc([C@@H](NC(=O)NCc2cccc(Br)c2O)c2ccc(Cl)cc2)n1 765537408 QGEUYTCKMBLOQJ-KRWDZBQOSA-N 449.736 4.130 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 765659952 PGDLSWXTRYMWAY-QZTJIDSGSA-N 433.593 4.478 10 20 IICD Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 765679333 RMXKQRLXFUZXAQ-IEGUWTFLSA-N 426.536 4.189 10 20 IICD O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cc3c(cc2O)CCCC3)CC1 768443838 UYRKWTAZEHLPFD-UHFFFAOYSA-N 444.373 4.279 10 20 IICD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OC(C)C 771369604 QOPXSBASEKRPBF-GBXCKJPGSA-N 442.556 4.258 10 20 IICD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 774208929 LBNCZEPYAVSJQH-AYOQOUSVSA-N 435.475 4.135 10 20 IICD O=c1ccc2cc(S(=O)(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)ccc2[nH]1 776743204 DJMMEUQPXNSMGP-UHFFFAOYSA-N 449.513 4.311 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)c(N2CCCCC2)c(F)c1 779136912 KGIDIGXCNAVHLW-UHFFFAOYSA-N 448.489 4.253 10 20 IICD COc1cccc([C@@H]2C[C@H](C)CN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)c1 784006144 CNMYTAKRLNPKLP-BVZFJXPGSA-N 438.568 4.019 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C(F)F 784058418 UEUZMDWMCRYABI-UHFFFAOYSA-N 433.503 4.363 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C2CCCCC2)cc1 784058942 CUDNBRCRSUOLQV-UHFFFAOYSA-N 446.507 4.419 10 20 IICD Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 793869533 XAMMEBJBUVOPQC-ZBFHGGJFSA-N 434.005 4.440 10 20 IICD CCN(CC)c1ccc(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1F 794807193 KSYKUWLVIPKLJQ-GFCCVEGCSA-N 448.391 4.477 10 20 IICD CNC(=O)COc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(C)c1 797391113 FUVGTLUPLVPOPT-UHFFFAOYSA-N 445.479 4.112 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4scnc4c3)cc2Cl)C1 800636966 ROLOUQWALCSFEK-AWEZNQCLSA-N 442.972 4.441 10 20 IICD CCc1nnc(O)c(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1CC 800711576 KSZKYZIGDRNSQI-OAHLLOKOSA-N 445.995 4.196 10 20 IICD Cc1cc(Br)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 804275523 SCSSNKSJSDXION-UHFFFAOYSA-N 441.728 4.317 10 20 IICD CC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 807209394 JUEAELCLUGAIBI-MJGOQNOKSA-N 435.012 4.024 10 20 IICD O=C(Nc1c2c(cc3c1CCC3)CCC2)C(=O)N(Cc1ccco1)Cc1ccccc1O 810350359 IWTUCRDWFODDFI-UHFFFAOYSA-N 430.504 4.130 10 20 IICD CC(C)OCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1 811914763 SCNSDHCNTBMCHH-HOTGVXAUSA-N 449.983 4.445 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 914754196 JBYBKXRXJOCLGQ-HXUWFJFHSA-N 434.367 4.323 10 20 IICD Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380526 CMGJNYIVGUOTOQ-UHFFFAOYSA-N 444.457 4.171 10 20 IICD Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917715883 YDSMZDHOECMUMJ-HUUCEWRRSA-N 425.479 4.365 10 20 IICD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 917869458 UTHXMBMTIDEMNV-UHFFFAOYSA-N 449.000 4.038 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1 917954572 QNZCNUYMFQULOJ-RUZDIDTESA-N 448.611 4.356 10 20 IICD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918209806 OVWZNTWQKHDOMO-FQEVSTJZSA-N 429.536 4.201 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(Br)c1 918311651 WYSNGKQODAFMMB-UHFFFAOYSA-N 430.346 4.037 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(O)(Cc4ccccc4F)CC3)c2C)cc1 1320933596 JBTBMEZKMTZDGN-UHFFFAOYSA-N 436.527 4.452 10 20 IICD CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821939441 MLKKPNYLDVSYFW-OAHLLOKOSA-N 434.924 4.216 10 20 IICD CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1845258478 QPRGHYFTRKPUOU-UHFFFAOYSA-N 434.964 4.175 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 10907078 BOAVMANYLKIMSA-UHFFFAOYSA-N 438.531 4.406 10 20 IICD CC(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 18601534 MQFGUGCSYMFYBU-UHFFFAOYSA-N 430.407 4.266 10 20 IICD CCc1ccccc1NC(=O)CNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 216485400 ZORHOGQSGCFFNW-HXUWFJFHSA-N 445.563 4.273 10 20 IICD CCc1ccc(C(=O)N2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)cc1 303202930 ORPUCONQORJSRQ-UHFFFAOYSA-N 440.547 4.126 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 437014353 DRTVNNNMXSNSQM-UHFFFAOYSA-N 430.936 4.365 10 20 IICD C[C@H]1CN(c2nc3ccccc3nc2N2CC=C(c3c[nH]c4ncccc34)CC2)C[C@@H](C)O1 484930809 CSQXAKMWVDFHQT-HDICACEKSA-N 440.551 4.413 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1COc2ccc(Cl)cc2C1 726565098 ALDWLMWMSGQOAW-HNNXBMFYSA-N 436.886 4.278 10 20 IICD C[C@@H]1CCCN(C(C)(C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726613678 QKJQJVAPJFYWKH-QGZVFWFLSA-N 438.563 4.067 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 726621214 QPLRBNROQUHAGD-SFTDATJTSA-N 444.373 4.236 10 20 IICD CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC 726626833 HHIWMKOXHCYYMT-MHWRWJLKSA-N 448.953 4.252 10 20 IICD CC[C@H]1CCCN1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 727733710 NYZPVDZINCMGPU-QTNMRXCUSA-N 439.400 4.051 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 729037632 VWEDUPDWIUVWDO-OAHLLOKOSA-N 437.471 4.353 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)C2CCCCC2)cc1 732115375 YJELHRSXNAOMBB-IBGZPJMESA-N 437.584 4.379 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 734520938 REDAMSRNUUBCHV-CQSZACIVSA-N 448.361 4.155 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Oc1ccncc1 734547700 UAORUFQCDYDAMO-UHFFFAOYSA-N 435.499 4.213 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)c1 734954086 FKXSIDCJANPVLW-UHFFFAOYSA-N 436.533 4.089 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c(C)n1-c1ccccn1 740844321 UCIWGVMNBSRHKS-QFIPXVFZSA-N 444.535 4.057 10 20 IICD CCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 741080019 VIZLPHWAQFHTMS-CIURTSOKSA-N 447.595 4.174 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSc3ccccc32)NC(=O)OC(C)(C)C)cc1 742752844 HOIWKNFJRDLFTH-WOJBJXKFSA-N 441.597 4.324 10 20 IICD CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742797405 CBFXZYNUVMSYBJ-INIZCTEOSA-N 446.498 4.217 10 20 IICD CCOc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OCC 742800417 JVWVAYSYCNWGBV-QGZVFWFLSA-N 434.483 4.484 10 20 IICD Cc1cc(C(=O)[C@@H](C)Sc2ncc(CO)n2C)c(C)n1-c1ccc(OC(F)F)cc1 746139521 PCBHZDFNSGJTPT-CQSZACIVSA-N 435.496 4.285 10 20 IICD CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746946859 IZDXRVDPUHBBOB-UHFFFAOYSA-N 440.346 4.435 10 20 IICD Cc1cc(C(=O)N(C)Cc2nnc3ccccn23)c(C)n1-c1ccc(Br)cc1 749387342 OUJIUSCUTZVBDS-UHFFFAOYSA-N 438.329 4.172 10 20 IICD COc1ccccc1N1CC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 750331843 ZJOQSGZVTZRSTP-QFIPXVFZSA-N 436.600 4.353 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 751308163 RQHYZMXVNCLJPO-SFHVURJKSA-N 443.482 4.026 10 20 IICD CC1CCN(c2cccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4C)c2)CC1 753691064 JBPHILFVJBYVRF-UHFFFAOYSA-N 435.549 4.467 10 20 IICD COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)s2)cc1 757626160 CVWFTAWIBRMJIN-UHFFFAOYSA-N 435.549 4.321 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(Cl)ccc3F)c2C)cc1 758882305 RHXXGPFHUMRUTL-UHFFFAOYSA-N 444.846 4.108 10 20 IICD C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 759589946 VGYAKGULKRMDSC-LEHPZIBWSA-N 433.460 4.260 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3ccccc3F)no2)c1)c1cccs1 761324293 WFOYMINSQNNQEO-UHFFFAOYSA-N 431.470 4.034 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 762511451 SKPIFLDTWRPYKL-HOTGVXAUSA-N 427.595 4.491 10 20 IICD CCc1nc(C)c([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 765281942 QSTZFJFYDDCQBL-INIZCTEOSA-N 440.592 4.120 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 768994412 UVWJPAIHUMHWGY-QGZVFWFLSA-N 437.569 4.314 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1c1ccc(F)cc1 769641417 GRQRVVNMWIPTBY-SFHVURJKSA-N 446.525 4.371 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(N(C)C)cc1 773858918 SWRBTBDWWVSLIP-SFHVURJKSA-N 440.563 4.478 10 20 IICD COc1c([N+](=O)[O-])ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1O 775013749 BFUCYYDCWSGBFO-LJQANCHMSA-N 436.443 4.329 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2cc(Cl)cc(F)c2O)CC1 776252594 MTQLURSKJORQQU-UHFFFAOYSA-N 440.968 4.036 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 778996497 RKCPTDISTUKGNC-IBGZPJMESA-N 445.432 4.206 10 20 IICD CCNC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 786400845 VNRSXVAIVNPOHC-IBGZPJMESA-N 426.517 4.055 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(Br)ccc1C 787123000 YRTCFDATDDLNCL-UHFFFAOYSA-N 428.124 4.283 10 20 IICD CC(C)n1nc(-c2ccco2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 788832733 OZFKHLSPGXJZDF-UHFFFAOYSA-N 427.480 4.021 10 20 IICD O=C(CN1C(=O)c2cc(F)ccc2S1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1 799908639 ZVIDOULNCGKOCS-UHFFFAOYSA-N 438.440 4.024 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc2Cl)C1 800046906 DNHAMSBMPZHYJO-UTKZUKDTSA-N 443.975 4.480 10 20 IICD Cc1c([C@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C(C)C)oc2ccccc12 803664754 QPEFXASVEHYBRA-OAQYLSRUSA-N 425.504 4.076 10 20 IICD O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 804967499 VRBIWIUKTMRSJW-QFIPXVFZSA-N 428.577 4.020 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1nccc2ccccc12 810212360 ADDRKJPMGQZWDV-IBGZPJMESA-N 442.542 4.341 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCN(c2ccccc2F)C1 810449518 HEGHAWCZQPROEO-IAGOWNOFSA-N 433.474 4.039 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 813589510 AZBMDTZBWNUQAX-IGMOGCDKSA-N 447.576 4.003 10 20 IICD NC(=O)CCn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1C1CC1 817848822 OJZHVWFKBBVNAO-UHFFFAOYSA-N 449.540 4.177 10 20 IICD CCNC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 914717250 GOUSBHOQKPYWGD-DOMQTXCISA-N 442.563 4.042 10 20 IICD COCCOc1cc(C)ccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 916696529 ISBYIIAFZPROOI-QZTJIDSGSA-N 445.535 4.095 10 20 IICD C[C@H]1CN(c2ccccc2CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1 917432409 YMVJBKRGISUHDE-SFHVURJKSA-N 449.517 4.057 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc2ccccc12 918117357 CONDFQSSAGRSRY-GHTZIAJQSA-N 430.552 4.102 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 918125253 XXWRZSAFKDLXJM-UHFFFAOYSA-N 434.584 4.141 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)c2C)c1 919993710 FJLCNASOVNOMBF-XMMPIXPASA-N 430.552 4.105 10 20 IICD C/C=C/C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811273896 SRJLZXUTATYTCT-GKEOKASWSA-N 442.563 4.385 10 20 IICD COc1ccc(Br)cc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 13343107 LESZZOBFKGTLDT-UVTDQMKNSA-N 444.372 4.304 10 20 IICD COc1ccccc1[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1nccn1C 25518793 XARYVXVNDXSTTA-HSZRJFAPSA-N 432.499 4.495 10 20 IICD NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1=O 252506800 VLMMWWKBGCMNIU-UHFFFAOYSA-N 443.385 4.020 10 20 IICD OC1CCN(c2ccc(CNc3cncc(OCc4cccc(Cl)c4)n3)cc2F)CC1 301569999 NOVJRJNHJYLHAC-UHFFFAOYSA-N 442.922 4.421 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 303041109 ZWSFZJQMXBSTQW-JOCHJYFZSA-N 445.510 4.344 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 727405378 XKLZMWCBUBIFPS-OAHLLOKOSA-N 445.972 4.147 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1F 731364553 RRLUEMKGNIEEHG-NRFANRHFSA-N 427.499 4.133 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 734080264 NSTPWROKHGGWIC-JOCHJYFZSA-N 441.491 4.352 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(Cc4ccccc4F)n3)CC2)cc1 735433334 UIDKLVFGYXSPQW-UHFFFAOYSA-N 425.529 4.234 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1F 735574885 QAKRLNAATATTQN-GOSISDBHSA-N 428.552 4.387 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)c2)CC1 739602007 FAPXYXQDUGSTKG-UHFFFAOYSA-N 429.586 4.204 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 740388918 QAPCLYXEZXXZQT-HNNXBMFYSA-N 425.403 4.145 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 742749413 GWCSMPPMKCBFSB-QFIPXVFZSA-N 436.556 4.159 10 20 IICD Cc1cccc(C2(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)CC2)c1 742755125 WAMWIEFMVOCCCG-QFIPXVFZSA-N 437.584 4.475 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(COCc4ccccc4)cc3)ccc21 743900572 MEBAFQFKPMPDGB-UHFFFAOYSA-N 443.547 4.041 10 20 IICD COc1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(OC)c1 746969161 FYZUPJVSZKITLH-UHFFFAOYSA-N 437.540 4.317 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1c(F)cccc1Br 749354231 GFKAVJMJCDBDCU-UHFFFAOYSA-N 432.337 4.373 10 20 IICD COCCN(CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 751483269 RJTFENDRWRQUEU-CQSZACIVSA-N 441.355 4.341 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](Cc3ccc(C)cc3)c3ccccn3)CC2)cc1F 753932574 SPIJNNVCTCDVNG-XMMPIXPASA-N 448.542 4.353 10 20 IICD CCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1F 758703357 UPMGDDIFICLEDO-OAQYLSRUSA-N 435.490 4.406 10 20 IICD CC(C)Cn1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1ccccc1 760087507 XAPSEHVIIIQTEB-UHFFFAOYSA-N 432.568 4.315 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(Oc3ccccc3)cn2)cc1 773297902 XHLGCPLBBOVVJE-JOCHJYFZSA-N 432.524 4.156 10 20 IICD Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)nc12 773614475 AITRLKZNLWXODG-AWEZNQCLSA-N 430.350 4.032 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 779337109 WYIFMDRBNABLLI-UZUQRXQVSA-N 445.991 4.124 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(F)c1Br 785932902 MUHQXXMOCWBQFY-UHFFFAOYSA-N 427.701 4.008 10 20 IICD CN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2Cl)c2cc(Br)cnc21 789149460 YXVSIGDZWBSFPQ-FRKPEAEDSA-N 429.705 4.259 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2c1CCO2 794145908 YQIVIGIAEKUDGM-SFQUDFHCSA-N 430.576 4.303 10 20 IICD COc1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(O)c1 794383901 SEPOKTZOEYSWES-UHFFFAOYSA-N 429.270 4.281 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 795549630 QVTCIRUMZWHAJE-UHFFFAOYSA-N 434.539 4.083 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cnccn2)c(C)n1-c1ccc(Br)cc1 795921557 DPOLNDOXJGMXLE-UHFFFAOYSA-N 442.313 4.005 10 20 IICD CCc1cc(C)cc(CC)c1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 797683992 SPKUSXDPJDKFOE-UHFFFAOYSA-N 441.572 4.500 10 20 IICD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(Cl)cc(OC)c3O)cc2)CC1 798085439 TVCASQWCEYNCBC-UHFFFAOYSA-N 446.931 4.082 10 20 IICD Cc1nc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2)n[nH]1 800718517 AHOIDGDOTCHDDS-YJBOKZPZSA-N 430.984 4.092 10 20 IICD CCCCN(CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccccc1O 801596680 JPBVRMNRIBFVND-QFIPXVFZSA-N 426.557 4.375 10 20 IICD Cc1c(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)nnn1Cc1ccncc1 803029658 BJOVZTKNUZWPLG-SFHVURJKSA-N 427.508 4.139 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 807506355 VOZYQSYJEOLCRW-UNMCSNQZSA-N 425.548 4.081 10 20 IICD CNC(=O)c1cc(Oc2ccc(N[C@H](C)c3cc(C(=O)OC)ccc3O)cc2F)ccn1 810256373 ZXYSVGCKJOLRNY-CYBMUJFWSA-N 439.443 4.038 10 20 IICD Oc1cc(F)c(Cl)cc1CN(CCn1ccnc1)Cc1ccc(Br)o1 816611699 VZIRQUNDFQNBDN-UHFFFAOYSA-N 428.689 4.439 10 20 IICD CC(C)[C@@H](C)N(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 915167022 VJZLDMXATOOCIR-CDCQXCROSA-N 441.416 4.153 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c(F)cc1Cl 916457663 LRKTWFDJVYRQSV-UHFFFAOYSA-N 434.792 4.404 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 918039021 SDKMQKGXEHBVTR-UHFFFAOYSA-N 436.556 4.066 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2OCC(F)(F)F)cc1 918309025 FXNGSGGBVXGRRW-UHFFFAOYSA-N 437.462 4.071 10 20 IICD CCN(CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 921123413 SWERXRZCXKQDIT-QFIPXVFZSA-N 438.616 4.138 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1F 1321022966 CMIHGWUALLLOIR-UHFFFAOYSA-N 431.470 4.455 10 20 IICD O=S(=O)(c1c(F)cccc1Br)N(Cc1ccccc1O)C1CCCC1 1322897465 BAUFPCOYXVGVLD-UHFFFAOYSA-N 428.323 4.427 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1 1327398504 GBDDCDSHTFYVDB-UHFFFAOYSA-N 443.594 4.240 10 20 IICD CC/C=C(\C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1791873614 RCPBFBUDEXJOCG-OUXTULQRSA-N 449.595 4.044 10 20 IICD CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1843559842 OSYCVAQCJHLSNZ-UHFFFAOYSA-N 448.972 4.241 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc2oc3c(c2c1)CCCC3 10906609 GKICKTSUHQNCAI-UHFFFAOYSA-N 434.536 4.186 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1COc1ccccc1 302923880 AXRKLZXBONBEHC-UHFFFAOYSA-N 430.548 4.404 10 20 IICD CCc1ccc(-n2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c3c2CCC3)cc1 303324384 UZMTUJXMPBYZDJ-UHFFFAOYSA-N 444.579 4.032 10 20 IICD O=C(c1ccccc1F)N1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 725847879 VLNRCFDKAJOBLE-UHFFFAOYSA-N 440.519 4.119 10 20 IICD CN(C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C(=O)OC(C)(C)C 726098175 UXRCMLLFAXTQAD-HXUWFJFHSA-N 430.593 4.075 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cccc3cnccc23)nc1-c1ccccc1 727244551 ASRYFHLGXUZVPX-UHFFFAOYSA-N 439.518 4.336 10 20 IICD CCCCCOc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)cc1 727247827 OYZIMIVBBBBICQ-UHFFFAOYSA-N 449.554 4.295 10 20 IICD C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)N1CC(=O)Nc2ccccc21 729586884 LEWDSWPXDMRGEA-OAHLLOKOSA-N 444.447 4.338 10 20 IICD CCOc1ccc(OC)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 729658643 VRFALRIGYJIYJD-UHFFFAOYSA-N 446.415 4.030 10 20 IICD Cc1ccc(-n2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c3c2CCC3)c(C)c1 730207324 LXLSJJKDOQHCKH-UHFFFAOYSA-N 444.579 4.087 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc(-c2ccccc2)cs1 730580454 RURWSJGMYUAQPM-MRXNPFEDSA-N 440.544 4.346 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc2)CC1 731049719 MCBRKGAUGTZKFM-FQEVSTJZSA-N 432.572 4.406 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1Cl 731058817 UJTGKWWSAGVFGM-UHFFFAOYSA-N 425.875 4.181 10 20 IICD CCC1=S=C(/C=C(/Cl)c2nc(O)c3c(C)c(C(=O)OCCOC)sc3n2)C=C1 731156273 CPDJYYOYJICTPW-UKTHLTGXSA-N 438.958 4.146 10 20 IICD C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 733519828 DKDYPZBVDWRYNY-INIZCTEOSA-N 436.474 4.467 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)nc1 733661270 JSTUWLWMPBPFHD-UHFFFAOYSA-N 430.508 4.037 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1F 738415155 JVMJJQRQHJHIGD-QFIPXVFZSA-N 441.501 4.461 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)sc2C)cc1 741137692 YIYGAILLIHTSRB-UHFFFAOYSA-N 429.523 4.184 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCOc1ccc(CCC(C)=O)cc1 743808817 FXCAISFRZKLHQJ-UHFFFAOYSA-N 448.357 4.494 10 20 IICD Cc1cccc([C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)N2CCOCC2)c1 745489939 YKVFINGKGROJDS-RUZDIDTESA-N 438.616 4.055 10 20 IICD Cc1nc(SCC(=O)NCc2ccc3c(c2)CCCN3C)c2c(C)c(C)sc2n1 746812676 DTYUBIPOPASZOU-UHFFFAOYSA-N 426.611 4.407 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H](C)c1ccccc1 747311345 LPIUPGVAGWHUKZ-CABCVRRESA-N 428.444 4.292 10 20 IICD Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NCc3ccc(N(C)C)cc3)n12 748819135 CYKQRIKIFJPPTC-UHFFFAOYSA-N 433.581 4.282 10 20 IICD Cc1cc(C(=O)CN2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 748832747 MRWWVWJQQZQMRM-OAQYLSRUSA-N 448.510 4.148 10 20 IICD COc1cc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406788 PIQWCMAYASNSDR-UHFFFAOYSA-N 427.303 4.032 10 20 IICD C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1c(F)cccc1F 751059582 BCTIUJKLZGEOKA-LLVKDONJSA-N 438.477 4.024 10 20 IICD COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2cccc3ccccc23)cs1 755736339 HWMKEGVSUIBKOW-UHFFFAOYSA-N 431.520 4.007 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1cc(Br)cc(Br)c1O 756769621 GVCRVEUTWZJQAF-WCQYABFASA-N 441.167 4.242 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)C(C)(C)C)nc3)cc2F)C[C@H](C)O1 758403704 OEJONTRWYIIHBC-HOTGVXAUSA-N 435.565 4.019 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3cc(F)cc(F)c3)no2)c1)c1cccs1 761635251 HCHOLLQMZLBESX-UHFFFAOYSA-N 449.460 4.174 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)cc1F 762653975 CETVPYNIHNIGSP-UHFFFAOYSA-N 443.853 4.182 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC 762936247 FQLXGKLWEFWZEL-LJQANCHMSA-N 427.589 4.166 10 20 IICD Cc1ccc(OCc2cccc(C(=O)NCc3cccc(Br)c3O)c2)cn1 765746503 HBEDCXKIOMOTPD-UHFFFAOYSA-N 427.298 4.367 10 20 IICD CN1CCN(c2ccc(CNc3nc4ccccc4n3CCc3ccccn3)cc2)CC1 766107637 KIKHEJOUVQFLKT-UHFFFAOYSA-N 426.568 4.038 10 20 IICD COc1cc(OC)c(C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c(OC)c1 768227768 IJUXJHAHOQBXCB-UHFFFAOYSA-N 444.547 4.068 10 20 IICD C[C@H](c1cccs1)N1C(=O)/C(=C\c2ccc(N3CCN(C)CC3)cc2)SC1=S 771515240 ZFEROKPSFWLEPG-WBFOAEISSA-N 429.636 4.462 10 20 IICD C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 775403046 FVQXBLCWXWCSJM-MRXNPFEDSA-N 434.565 4.030 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc2c1OCCO2 776743892 MGMBWUCIJNRCPY-UHFFFAOYSA-N 440.502 4.241 10 20 IICD Fc1ccc(Cn2cc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)cn2)cc1 780509887 SFNXZPXKWMHXSZ-UHFFFAOYSA-N 448.464 4.216 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061399 BKNOXYWQZNCEIZ-UHFFFAOYSA-N 449.580 4.481 10 20 IICD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2O1 785987827 CODZVCDQYKITCA-RUZDIDTESA-N 437.540 4.075 10 20 IICD C[C@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccc(N(C)C)cc1 787316784 DKHALINLGNWCEQ-IBGZPJMESA-N 438.572 4.162 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 795678168 BBHFBAXTIYCCNM-JIMJEQGWSA-N 434.580 4.195 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 798060023 XGMQESGAVDAZRA-KESTWPANSA-N 433.474 4.287 10 20 IICD Cn1nccc1[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 800796726 LWYZTMJGSFOFRN-FDDCHVKYSA-N 442.523 4.347 10 20 IICD C[C@@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)cc(F)c1O 800994015 PLBVLRMGMDVEEY-PBHICJAKSA-N 435.337 4.178 10 20 IICD C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1Cl 802315915 FUAFDRORDGLRKO-JLTOFOAXSA-N 439.781 4.323 10 20 IICD CS(=O)(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C(F)F 806393389 HZUSYTUGWOJTGA-UHFFFAOYSA-N 439.267 4.362 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)c(Br)cc1F 807078595 LIYRRDHNNJMULW-UHFFFAOYSA-N 437.309 4.370 10 20 IICD COc1cc(OC)c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)[nH]c2c1OC 807839012 FQFNZFCLHCASCS-UHFFFAOYSA-N 425.268 4.136 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C(=O)c3ccc(F)cc3)cc21 808576461 ZUQZJBYKMPYZIA-UHFFFAOYSA-N 445.855 4.181 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1 809197126 DKABGNVRYSKQDK-UNMCSNQZSA-N 425.548 4.083 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 915731806 AHGQDVMNOOOGPX-UHFFFAOYSA-N 444.560 4.208 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2F)C[C@H](C)O1 916691674 BCTQOEKKBYNKLV-HOTGVXAUSA-N 441.482 4.086 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc4c(c3)CCC4)cc2F)C[C@H](C)O1 917190806 XCKYUHOLJCVHMH-IRXDYDNUSA-N 428.573 4.337 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH]c(C)c1C(C)=O 917709228 MMNJPARMYREXRF-GJZGRUSLSA-N 429.536 4.161 10 20 IICD Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 918565704 JWNHPARYXHTPDI-DEOSSOPVSA-N 436.600 4.126 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Oc2cccc(F)c2)nc1 1321737236 YMFFPZDSPKCCRK-UHFFFAOYSA-N 440.450 4.310 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)c2C)cc1 27156051 AZJZMEQFBABGBN-UHFFFAOYSA-N 433.552 4.212 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3sc(N(C)C)nc3s2)cc1 110147004 IHYJAASJCJTHRW-KRWDZBQOSA-N 444.626 4.311 10 20 IICD CC[C@H](C)[C@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 303032973 UKSDIOURTZMUKF-SQDMWPRVSA-N 441.416 4.201 10 20 IICD Cc1occc1C(=O)Nc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1F 541994641 ZTGXIXIFMNFXEC-UHFFFAOYSA-N 438.459 4.476 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 543875706 NBIZAUGRSVRLEM-UHFFFAOYSA-N 446.507 4.201 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3F)SC2=S)cn1 726986546 SGWTZFWLFJBBPF-NTUHNPAUSA-N 425.304 4.398 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)cc1 727030191 KTCWBFKGIBNSLZ-UHFFFAOYSA-N 447.417 4.118 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4ncoc4c3)c2C)cc1 727196241 PRJBYGVSKVCXMM-UHFFFAOYSA-N 432.432 4.062 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O 727418723 KWICMGYKTVWUCS-QFIPXVFZSA-N 447.004 4.248 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccc(N2CCOCC2)cc1 727843197 UHOOXZIJNLYSNZ-QVKFZJNVSA-N 444.373 4.333 10 20 IICD Cc1cc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(C)n1-c1cccc(Cl)c1 728522332 KXWGJBIGAMYMSJ-UHFFFAOYSA-N 433.899 4.284 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(c2ccc(F)cc2)CCCC1 728749346 GZOVWPTULVUEIY-UHFFFAOYSA-N 429.511 4.195 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 731016526 KXWIYSODCBRIKV-UHFFFAOYSA-N 437.628 4.262 10 20 IICD COc1ccc(O)c(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 734015719 ZDGFOLGCHIAVIJ-NRFANRHFSA-N 438.911 4.232 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 736381045 UOHNXCMAHYOXSK-JKSBSHDWSA-N 431.964 4.313 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)c1O 737284995 WWTQQDMSNTZMCP-UHFFFAOYSA-N 428.847 4.115 10 20 IICD CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F 741908628 AHVUSWNZDRPPIS-KRWDZBQOSA-N 427.520 4.138 10 20 IICD Cc1ccccc1C1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1 742749314 FVECHALFRDIJLI-QFIPXVFZSA-N 437.584 4.475 10 20 IICD C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754183 NMAPWQVQWCFXAL-IERDGZPVSA-N 445.535 4.041 10 20 IICD C[C@@H](Oc1cccc(Br)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 743338899 MKJPLOMXWQCQHB-BEFAXECRSA-N 434.330 4.130 10 20 IICD CN(C)C(=O)c1cccc(CCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 743567014 MSCFALNITQKDHZ-UHFFFAOYSA-N 436.600 4.199 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 745291893 HYTRPXSZOGGDOD-GOSISDBHSA-N 438.341 4.128 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1cccc(Br)c1 747195548 WNSJFFIDHYKPTR-OAHLLOKOSA-N 444.295 4.223 10 20 IICD O=C(CN1CCC(OC2CCCCC2)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 747838231 RSIUJIDFMPQSIM-UHFFFAOYSA-N 446.547 4.214 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 748825967 QMXKAAGMIZNLAQ-UHFFFAOYSA-N 431.540 4.180 10 20 IICD COc1cc(C2(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCCC2)ccc1C 749407982 YSVRPAAXPCETMU-UHFFFAOYSA-N 440.559 4.232 10 20 IICD Cn1nc(C(F)(F)F)c(COC(=O)c2csc(Cc3ccc(N)cc3)n2)c1Cl 751944525 FPOGWLNFWDOMTB-UHFFFAOYSA-N 430.839 4.079 10 20 IICD C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756774847 LQOYELYXJVVGQS-QMTHXVAHSA-N 447.142 4.311 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cc1 764629323 MWARNUPTKGQDEE-LJQANCHMSA-N 445.629 4.045 10 20 IICD C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1ccc(N2CCOCC2)c(F)c1 765331626 MWHYJHZOYIXFFP-ZDUSSCGKSA-N 437.309 4.004 10 20 IICD C[C@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)c(F)c1 765333509 VIKQVEQHVPWXNO-GOEBONIOSA-N 443.346 4.060 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(Br)cc1 768946565 CCGDPFXYMYJJRV-GOSISDBHSA-N 447.373 4.315 10 20 IICD CS(=O)(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl 770524246 QJPQFDGOBLWSLW-UHFFFAOYSA-N 438.937 4.222 10 20 IICD CSc1cccnc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 771473226 AWTLOAWFBLMUJP-UHFFFAOYSA-N 446.535 4.088 10 20 IICD CS[C@@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 772249101 HSRSNMFEWIHZBX-WMJYUBJYSA-N 440.681 4.474 10 20 IICD C[C@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773243693 DEHUGLRZNTZKAO-DLBZAZTESA-N 445.405 4.402 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(C(F)(F)F)cc3)C(C)C)nc12 775540212 RWPQJHDHODUJQS-SFHVURJKSA-N 436.434 4.117 10 20 IICD C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 777622586 TXVHCTNIWNOWTG-IBGZPJMESA-N 440.563 4.260 10 20 IICD CC[C@H](C)Oc1cc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)ccn1 777761384 ZCAXJYQJFSOZGC-AWEZNQCLSA-N 436.350 4.459 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)ccc1C 783483293 ROKZKNWYKQLGKT-KRWDZBQOSA-N 430.508 4.269 10 20 IICD COC(=O)CCc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783486191 MIOSXBNKOJRHLT-SFHVURJKSA-N 445.519 4.107 10 20 IICD CC[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O 796777520 HFDIRXNIOUJCND-HXUWFJFHSA-N 430.501 4.363 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3SCC(N)=O)cc2Cl)C1 800048267 XLCNCZUDABGSSK-HNNXBMFYSA-N 431.989 4.084 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2nnc(C(C)C)n2c1 801741279 FATQBYCTJTXATQ-UHFFFAOYSA-N 432.322 4.375 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1 802610102 UKRCTDOZLFAUHI-UHFFFAOYSA-N 433.508 4.134 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(OC)c(OC)c1 804969856 SMNPLWLMJIFOKG-HXUWFJFHSA-N 429.586 4.208 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 915339580 VYTHIWAENUANIA-UHFFFAOYSA-N 434.496 4.032 10 20 IICD CN(Cc1cc(Br)cs1)C(=O)NCc1ccc(N2CCSCC2)cc1 916624542 FEAQQOVUJYDIRO-UHFFFAOYSA-N 440.432 4.405 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 917698030 WYBYVGGLHLNRER-UHFFFAOYSA-N 425.488 4.335 10 20 IICD CCc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C 919175319 NXTWIVXZDKPXJG-UHFFFAOYSA-N 431.439 4.031 10 20 IICD Cc1cccc(NC(=O)COc2ccc(CCNC(=O)N(C)Cc3ccccc3O)cc2)c1 919790415 MOEOSWFBLVUVFT-UHFFFAOYSA-N 447.535 4.102 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 919790608 UQYFXEAJIXPUTE-RUZDIDTESA-N 431.536 4.121 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1OC 919803131 UBZBIAWPMLUHDO-HXUWFJFHSA-N 446.494 4.422 10 20 IICD CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1F 919863442 MGCAKTOWGAWZBD-UHFFFAOYSA-N 433.549 4.145 10 20 IICD COc1c(Cl)cccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 920186665 WEGXJNKOIFMKAU-UHFFFAOYSA-N 425.916 4.054 10 20 IICD CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1786636751 OGDZOJFDRKSXRH-UHFFFAOYSA-N 446.931 4.314 10 20 IICD Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)o1 1803163019 UKLKAZXPHBQFIQ-VILGAWFOSA-N 445.563 4.490 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H]2CCOC2)cc1 1803352530 OJOVTFPMYMYRCI-CEYBMKEASA-N 449.595 4.163 10 20 IICD Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 105941334 NRXGPEYMDHAEAF-UHFFFAOYSA-N 432.568 4.379 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCc1ccc2c(c1)OCO2 109621779 AVBBPWSBVQSSQG-UHFFFAOYSA-N 449.454 4.250 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3)SC2=S)c1 726625514 IXNKNIDGMTZXLP-KEBDBYFISA-N 437.546 4.354 10 20 IICD C[C@@H]1CCC[C@@](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)(N(C)C)C1 726707751 GNFSUZOMTWFATM-UZUQRXQVSA-N 438.563 4.067 10 20 IICD CCOc1cccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1 726801764 MSUUEEDYTVCALA-ZHZULCJRSA-N 427.547 4.300 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)CC2)cc1 732249028 NEEDKAQDIHJZLA-HXUWFJFHSA-N 440.588 4.326 10 20 IICD O=C(NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)c1cc(O)cs1 732257031 BVJHJDLJUSRRNJ-AWNIVKPZSA-N 443.333 4.227 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(CN(C(C)=O)C(C)C)cc3)CC2)cc1 735174981 VZMSNEDQWJWPMD-UHFFFAOYSA-N 438.572 4.243 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 739816214 YFGRAQCCXOVXSW-QGZVFWFLSA-N 435.911 4.205 10 20 IICD O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 742423325 HMBPTTPTGHOHMC-CQSZACIVSA-N 432.427 4.162 10 20 IICD O=C(Nc1nnc(-c2ccco2)s1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743107788 CCAHXEUGVQVWAF-GFCCVEGCSA-N 435.456 4.190 10 20 IICD CCn1nnnc1-c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 743177744 MDTFRHHJCSYZDA-UHFFFAOYSA-N 445.527 4.253 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc2C)c1 743917355 HPDFCLVLOBQMHS-UHFFFAOYSA-N 442.519 4.122 10 20 IICD COc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 749570495 KNAMWGKWUUMBDU-UHFFFAOYSA-N 431.536 4.009 10 20 IICD CO[C@]1(C)CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 752835478 JTIBILXLYHTTKR-HFZDXXHNSA-N 449.599 4.394 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3cc4c(cc3O)CCCC4)CC2)cc1 756393253 RNIUJUQXHWODJJ-GOSISDBHSA-N 428.598 4.083 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)cc(F)c1O 756424962 WYPLATMGUOXANC-LBPRGKRZSA-N 427.289 4.120 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)ccc1Cl 757499518 HXWSFLBENSXFOD-UHFFFAOYSA-N 440.905 4.498 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc(F)c(F)c3)no2)c1)c1cccs1 758277571 CPPILRXJZOQWQC-UHFFFAOYSA-N 435.433 4.250 10 20 IICD O=C1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCCN1Cc1ccccc1 761786293 JBYJSKSCADLWGE-QHCPKHFHSA-N 435.568 4.428 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCc1ccc(N2CCCCC2)cc1 763566177 YJLSRULCGOGEJV-NRFANRHFSA-N 427.589 4.330 10 20 IICD O=C(NCc1csc(-c2ccco2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 764353090 KVIMYBCTZHHXEO-UHFFFAOYSA-N 448.495 4.473 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 764911169 XPPAKRHQMAIXKA-KILAXVPQSA-N 440.481 4.467 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c2ncccc12 766496912 UPJXDJCNYPYIJA-UHFFFAOYSA-N 448.432 4.346 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1 772070332 PSXMTYPIVNPPSJ-UHFFFAOYSA-N 444.539 4.105 10 20 IICD COC(=O)CCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C1CCOCC1 772153195 NAYSQYHJJFVIDY-UHFFFAOYSA-N 438.528 4.352 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C(=O)CC)C2)sc(C)c1-c1ccc(F)cc1 772975329 MZYWMZYECAEDCU-OAHLLOKOSA-N 432.517 4.236 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(Oc2ccccc2)cn1 773450854 AJDCDCFBTANPLD-UHFFFAOYSA-N 428.286 4.399 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 775234255 MRRRSDAYBQOGSX-ICSRJNTNSA-N 432.609 4.461 10 20 IICD C[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 775403255 IEPSKOPLIJZAQU-QGZVFWFLSA-N 435.499 4.400 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@H](OCC(F)(F)F)C1 775653880 FCYOFKMWZNAPGI-NSHDSACASA-N 447.089 4.461 10 20 IICD Cc1cn2c(=O)c(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cnc2s1 775890461 OMFKDVBBUKRXQY-UHFFFAOYSA-N 447.476 4.275 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1(Cc2ccccc2)CC1 776118019 YUSJUHOESVMPAH-UHFFFAOYSA-N 433.474 4.117 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)CC1 781269284 QTQAMPOLBXHYCR-UHFFFAOYSA-N 429.520 4.186 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc(N)cc1 783487059 UBBKNLJZXFUNIG-CQSZACIVSA-N 437.883 4.384 10 20 IICD C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N[C@@H](C)c1ccc(F)cc1 789015136 AUCODHKMBHWMEV-GJZGRUSLSA-N 445.446 4.024 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)c(OC)c1OC 790590085 IWVQEFNDLQVACH-ATVHPVEESA-N 433.526 4.295 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(Br)cc1 791245531 AXJXTRFMKBHKRO-UHFFFAOYSA-N 433.346 4.451 10 20 IICD O=C(Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cc1)C1=S=CC=C1 798167160 MGLLFCIWUIVBSK-UHFFFAOYSA-N 425.819 4.222 10 20 IICD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 802208264 WQYIGQXWGLKCSX-QGZVFWFLSA-N 448.470 4.049 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C 803389800 KKUACRJQKRDANN-UHFFFAOYSA-N 431.540 4.361 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)O)sc2C(C)(C)C)ccc1O 811703361 OQIWKWIAIDLQPO-UHFFFAOYSA-N 427.544 4.175 10 20 IICD COCC[C@H]1COCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 812300406 WWTXFKXGOPWHCK-INIZCTEOSA-N 443.927 4.365 10 20 IICD COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OC(=O)c1ccccc1F 814284143 CSSHEPUHUJCKQO-WQRHYEAKSA-N 429.494 4.417 10 20 IICD O=C1N=C(SCc2nnnn2CC(F)(F)F)S/C1=C\c1csc2ccccc12 814772562 XHKIEOHISJOBMY-XGICHPGQSA-N 441.485 4.354 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 914499623 XYELGUDRYVWYBW-UHFFFAOYSA-N 446.956 4.245 10 20 IICD CCN(CC)Cc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 916400556 GBBWHIMAMZACSE-HSZRJFAPSA-N 425.573 4.125 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Br)cc1Cl 916669521 BVYRXVREAGJBLR-UHFFFAOYSA-N 442.716 4.400 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)C[C@@H](C)O1 916682039 QYXFHPLWPMVCDX-HDICACEKSA-N 436.512 4.228 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1C 917845088 OQGNMIWTCMHYQH-UHFFFAOYSA-N 427.551 4.120 10 20 IICD COCCCOc1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 919775658 WJMFEVZLGBZAEX-HDICACEKSA-N 445.535 4.176 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c1 1325222537 NBRQYJGAPPFJQZ-SFHVURJKSA-N 439.943 4.488 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3C)sc2n1 14152108 QCMFRHBGCWWBCO-UHFFFAOYSA-N 438.553 4.199 10 20 IICD COc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([N+](=O)[O-])cc1OC 301928374 NMNHCNHPSLLYSO-UHFFFAOYSA-N 446.813 4.006 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3nc(-c4ccncc4)no3)C(C)C)ccc21 483583118 JDEUHZWZWBXNRI-QFIPXVFZSA-N 447.539 4.477 10 20 IICD CC(C)COc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 730673722 NDEKBWDJZHXUKQ-UHFFFAOYSA-N 443.563 4.432 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4cccs4)n(C4CC4)c3=S)CC2)cc1 732418616 ZCSFGMVEGGYSFT-UHFFFAOYSA-N 427.599 4.266 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 732476472 LDIWSGHCJVPBTN-GOSISDBHSA-N 445.405 4.326 10 20 IICD CCn1cc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)cn1 732529978 FWGNIOUSKKOBCE-PDGQHHTCSA-N 447.992 4.184 10 20 IICD CCOc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 739922546 MAZCYURUALGTCI-UHFFFAOYSA-N 433.508 4.421 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 742040736 DJCPUBDKDSNRNB-QFIPXVFZSA-N 425.960 4.342 10 20 IICD CSc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 742799322 JLJFWZVPVBWTEK-CQSZACIVSA-N 437.468 4.317 10 20 IICD CSCC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1nnc2ccccn12 745389941 BITFKHTWYZAAOQ-HXUWFJFHSA-N 440.617 4.210 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 745656546 YWZCVCVWHRUSLD-SFHVURJKSA-N 442.991 4.478 10 20 IICD Cc1ccc([C@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 745661589 JVXHNJXIDFVUOR-LSDHHAIUSA-N 431.444 4.037 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 746036138 HMSLWDCQQPTPCR-UHFFFAOYSA-N 426.908 4.343 10 20 IICD Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 748024608 RZLFQFICVWYOLY-UHFFFAOYSA-N 427.564 4.483 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 748935381 XOKXHFJSPJWZIJ-UHFFFAOYSA-N 439.902 4.490 10 20 IICD CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751299137 JJGYZECEPGAQBV-HNNXBMFYSA-N 431.521 4.474 10 20 IICD C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1cc(Br)ccc1O 756459880 YLBSENZTFJJSPK-VIFPVBQESA-N 429.108 4.497 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C 757012197 WEJZWTFLDUATCF-TZIWHRDSSA-N 430.593 4.122 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nc(-c4ccc(F)cc4)ns3)CC2)cc1 758114137 WGDHJYLATMGIRA-UHFFFAOYSA-N 427.505 4.143 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 758386863 CNPSCKAXOZCKCZ-UHFFFAOYSA-N 432.568 4.279 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N(c3ccc(OC(F)F)cc3)C1=O)OCO2 758818682 HZVVVMWBWMNFSO-APSNUPSMSA-N 437.445 4.431 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2F)c1 760569493 FRFZKUMHWULCDY-UHFFFAOYSA-N 429.854 4.362 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)cc1 760887353 GSJNKPCODYEKNM-UHFFFAOYSA-N 449.599 4.314 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 760950608 XHOXYIXYNJNSIW-UHFFFAOYSA-N 438.553 4.184 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1C 763231248 IZYRPJJXFKSODB-UHFFFAOYSA-N 430.552 4.080 10 20 IICD O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)SC(=S)N1Cc1ccon1 764413262 XZLAFXVEWWDEDN-AUWJEWJLSA-N 430.492 4.108 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 765079532 NRVNIUOFUVGIPC-INIZCTEOSA-N 449.473 4.349 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(N4CCOC4=O)cc3)cc2F)C[C@@H](C)O1 765118194 JYEKIBBXNDJULF-KZNAEPCWSA-N 427.520 4.247 10 20 IICD COC(=O)c1cc2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)ccc(OC)c2o1 768161593 HLHNEYKMDSXFPD-SFHVURJKSA-N 425.481 4.115 10 20 IICD CN(Cc1cccc(N(C)C)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 770369316 HWRSUKDWLZEVLE-UHFFFAOYSA-N 432.515 4.164 10 20 IICD CCO[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 770496676 YNKMPAAZVDCRPR-NRFANRHFSA-N 433.499 4.334 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 779958050 KQHTZRBOBZLLRR-UHFFFAOYSA-N 442.541 4.051 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nn3cc(-c4cccnc4)nc3s2)cc1 782355827 SPZKYQLEPKHSRK-HXUWFJFHSA-N 434.569 4.104 10 20 IICD CC1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2)CC1 783317691 YTOZHMDIUCWZGU-UHFFFAOYSA-N 436.600 4.365 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)sc(C)c1C 784105707 HNGQZVMWZRWDKC-UHFFFAOYSA-N 443.569 4.286 10 20 IICD COc1ccc([C@H](CO)N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 784820103 WZNCIWCTAQLJFB-QFIPXVFZSA-N 432.480 4.241 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)c(Cl)c1 785195363 NSAOGXRRDUZXKP-UHFFFAOYSA-N 425.710 4.104 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(C(F)(F)F)n1)c1ccc(N)cc1 786424188 MDDHIMQZTBYWNN-AWEZNQCLSA-N 428.414 4.416 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccc2n1CC(F)(F)F 787403813 RNAFYHHLNOREDU-UHFFFAOYSA-N 449.448 4.234 10 20 IICD COc1ccc(N2CCN(C(=O)c3c(F)ccc(C)c3Br)CC2)cc1F 787418280 QBLKYTCALMBWEX-UHFFFAOYSA-N 425.273 4.007 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cc(Cl)ccc1OC 791251066 XWKYTSADUAIFOC-UHFFFAOYSA-N 432.948 4.280 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 797622015 PLPDATYDAGMBPX-AWEZNQCLSA-N 427.501 4.148 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)C2CC2)cc1 800762409 JAPSVYUBRBIRDR-XMMPIXPASA-N 430.552 4.030 10 20 IICD CCc1oc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1C(=O)OC 800792634 FUVFIEVFXLXLSC-YVLHZVERSA-N 433.507 4.052 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 802267970 GYKKCSMUXRMPEF-GOTSBHOMSA-N 445.991 4.429 10 20 IICD CCC(CC)[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 803677331 MJUQXMKEMVEBEM-XUZZJYLKSA-N 443.632 4.172 10 20 IICD CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 803686493 LPSAWGNBKDHAFY-QGZVFWFLSA-N 425.598 4.063 10 20 IICD CC(C)(C)c1csc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1 804864730 OFALQTYONMQMIR-UHFFFAOYSA-N 429.586 4.124 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 805024177 PHIRJVIFILUKKT-UHFFFAOYSA-N 437.584 4.074 10 20 IICD Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(O[C@H]2CCOC2)c1 805200787 HNOTWARFTMHIAD-INIZCTEOSA-N 425.312 4.175 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F 807078205 ISIOHFGYWJXPAC-UHFFFAOYSA-N 440.874 4.457 10 20 IICD CNC(=O)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 807209259 GNSMMBDCBJHTFN-PKOBYXMFSA-N 435.012 4.167 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(F)cc3N3CCCCC3)CC2)cc1 810309249 MVKNDQRVCMBSFI-UHFFFAOYSA-N 430.499 4.318 10 20 IICD O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC3 811686753 HSGPZNISKKZEAJ-WEVVVXLNSA-N 432.219 4.254 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(C)n1-c1ccc(Cl)cc1 812276870 OCZMQULZKXMOMH-HNNXBMFYSA-N 441.881 4.278 10 20 IICD CCCCNC(=O)NC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772386 VJDHGFSKYMMRQU-OQLLNIDSSA-N 433.580 4.231 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3c3ccc(C)cc3)CC2)cc1 916196313 AMJMCYUVAMYDDA-RUZDIDTESA-N 436.600 4.062 10 20 IICD CCOc1ccc(OCC)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 916671974 YQHAMKAXQNZXHT-UHFFFAOYSA-N 427.545 4.014 10 20 IICD CC(C)N(C)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F 918308628 OTWHZLKPQREDBJ-UHFFFAOYSA-N 440.563 4.258 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)c2C)c1 919993709 FJLCNASOVNOMBF-DEOSSOPVSA-N 430.552 4.105 10 20 IICD COc1ccc(N2CCC(NC(=O)N3Cc4cccc(Br)c4C3)CC2)cc1 1116634281 QGTALEQDNVVKCD-UHFFFAOYSA-N 430.346 4.152 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ccnc4ccccc34)cc2F)C[C@H](C)O1 303332384 BTKPOCTZYZYCLO-IRXDYDNUSA-N 439.556 4.396 10 20 IICD Cn1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(-c2cc3ccccc3o2)n1 619710516 ARYULGMQXLVFSI-XNTDXEJSSA-N 438.443 4.186 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566067 XUUZCDFPCKBSRA-UHFFFAOYSA-N 440.494 4.489 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2ccccc2c1 726604208 YNWFZVBOZZNUJY-UHFFFAOYSA-N 432.492 4.389 10 20 IICD C[C@H]1CCCN(C(C)(C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726613675 QKJQJVAPJFYWKH-KRWDZBQOSA-N 438.563 4.067 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726696157 YGDYIODGQAGDJC-UHFFFAOYSA-N 432.471 4.345 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 727167926 CQQKAWLVTCDEBN-UHFFFAOYSA-N 444.959 4.345 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(Cc2ccccc2)c1 727243978 NICBXUYGFUAXNK-UHFFFAOYSA-N 432.477 4.134 10 20 IICD COc1cccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1O 727761373 XYZFEEFMYQHIJP-FQEVSTJZSA-N 438.911 4.232 10 20 IICD COc1cccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)c1 728407500 YVQXCXUGTIJYSE-OAQYLSRUSA-N 443.507 4.444 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2F)C[C@@H](C)O1 728696339 VSAAJGIXQUZRMN-HZPDHXFCSA-N 440.519 4.036 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)cc1F 731408587 RGQKSTUIUMEFQL-UHFFFAOYSA-N 444.526 4.056 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1F 731408862 YJOJNFADFFZNJQ-UHFFFAOYSA-N 440.563 4.163 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 734942201 LKBLJZARPYXGSN-OAQYLSRUSA-N 449.979 4.315 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 735000453 CGOYTTJSOIQCBR-KDURUIRLSA-N 425.548 4.278 10 20 IICD CN(CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)OC(C)(C)C 737273091 UAMATKQPGGRMGI-UHFFFAOYSA-N 425.489 4.024 10 20 IICD CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(N2CCCCC2)cc1 741710330 BSFXNLPDMXFPGT-XMMPIXPASA-N 449.595 4.244 10 20 IICD O=C(/C=C/c1cncc(F)c1)N1CCCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 741936062 DSDMBUCWORTFTM-CDJQDVQCSA-N 446.457 4.251 10 20 IICD C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801270 OTNVMOCISZYBLD-KBPBESRZSA-N 426.410 4.119 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 745646148 APCYBTCQZBIGGS-QHCPKHFHSA-N 425.548 4.450 10 20 IICD CCn1ncc2ccc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc21 746771582 JUCYWAHNBOHGFG-IYBDPMFKSA-N 425.508 4.131 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 747536850 HHMDRAOMMSTKNN-VAMGGRTRSA-N 438.572 4.020 10 20 IICD CS(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)cc1 748865015 MDDOOMOLLJEFPQ-UHFFFAOYSA-N 444.559 4.168 10 20 IICD CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)cc1 749736779 ANEKWXAGNAZZIW-UHFFFAOYSA-N 446.598 4.456 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC2(CCCCC2)CC1 751060020 FNTBIJAAQGHKEB-UHFFFAOYSA-N 434.583 4.441 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)ccc21 753741057 BPSKYIQXKKLINA-UHFFFAOYSA-N 439.531 4.015 10 20 IICD COc1cc(N2CCN(C(=O)C(C)(C)CCCc3ccccc3)CC2)cc(OC)c1OC 759222811 LLXXYCRITJCCBQ-UHFFFAOYSA-N 440.584 4.410 10 20 IICD CCOC(=O)[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C1CCOCC1 759946804 GIICIOASNSQRKW-QFIPXVFZSA-N 438.528 4.256 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccccc3OCC3CCCC3)no2)c1 762315457 QULHRDSVAHMCRY-UHFFFAOYSA-N 429.498 4.050 10 20 IICD CCSCc1ccnc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 762376554 SJQPWUVZBMUULE-UHFFFAOYSA-N 449.579 4.155 10 20 IICD C[C@H](N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764816082 SRDCLCRSQUVOOE-KSFYIVLOSA-N 428.939 4.489 10 20 IICD Cc1nc(CCOC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cs1 767552493 ZTFMQHMBSIEWCL-XNTDXEJSSA-N 438.621 4.280 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 768207306 BNEFVXOTRIDRKX-UHFFFAOYSA-N 430.474 4.360 10 20 IICD CCN1CCN(c2cccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)CC1 771274619 VXGSDOZLULIOHW-UHFFFAOYSA-N 435.616 4.483 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(C)n1-c1ccccn1 772341733 KCZMFBKSLCOYRZ-SFHVURJKSA-N 442.441 4.043 10 20 IICD CN(C)Cc1nc(C(C)(C)NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)no1 772695302 TVCPRIMIQVBFRU-UHFFFAOYSA-N 435.532 4.278 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1O 779012144 LOQZSSNJBBMTIW-AUUYWEPGSA-N 433.346 4.431 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 779474630 CSUMNOVLKYSBJP-WYMLVPIESA-N 425.488 4.339 10 20 IICD Cc1cnn(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2F)c1 784105646 GGJNBRSMSRAPIY-UHFFFAOYSA-N 435.503 4.064 10 20 IICD COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(OC)cc1Cl 784109632 WJJOAKZUXJBGFH-UHFFFAOYSA-N 431.920 4.101 10 20 IICD COc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 786771979 ZPXKTQGZIDCOJH-IRXDYDNUSA-N 443.975 4.079 10 20 IICD Cc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1Br 786840884 NYEFCRWOEAWXLX-GOSISDBHSA-N 433.346 4.354 10 20 IICD O=C(c1ccccc1Cl)c1cc(Cl)ccc1N[C@@H]1CCN(C2CCOCC2)C1=O 799968172 YOCRRSCIEAWVJS-HXUWFJFHSA-N 433.335 4.416 10 20 IICD Brc1ccc(-c2ccc(NCc3ccc(N4CCOCC4)cc3)nn2)s1 802762245 YVVVNENRGDIARX-UHFFFAOYSA-N 431.359 4.416 10 20 IICD Cc1ccc([C@@H](C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 807240467 MORLJFDDEVEBAZ-FQEVSTJZSA-N 433.552 4.103 10 20 IICD O=C(NCc1ccncc1OCc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 807431320 AAQXTJINFKJMHO-HSZRJFAPSA-N 447.535 4.257 10 20 IICD O=C(NCc1cccc(-c2ccccn2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 807694547 HZYXCXUDNOEDCD-UHFFFAOYSA-N 443.547 4.432 10 20 IICD CCN(C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@H](C)c1cccnc1 807956380 MVIRLCSQJZMRMQ-QZTJIDSGSA-N 442.991 4.197 10 20 IICD CC[C@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1ccc(C(F)(F)F)cc1O 810239029 QGIOFWNYGMUJHB-SFHVURJKSA-N 431.476 4.072 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]c2ccccc2c1CC(=O)OC 816940377 AXZUIXQQCZRFBK-UHFFFAOYSA-N 445.313 4.014 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)Nc2ccccc2)cc1 818895465 RXSPFOOPJSLXIJ-UHFFFAOYSA-N 432.524 4.116 10 20 IICD Cc1cc(-c2csc(NC(=O)CN3CCCCC3=O)n2)c(C)n1-c1ccc(F)cc1 915136100 QKNRSOOXJAQRAL-UHFFFAOYSA-N 426.517 4.308 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 916645700 OKEHAOGQBABFJJ-KRWDZBQOSA-N 446.389 4.058 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3nc4cc(Cl)ccc4s3)CC2)cc1 918063239 KOKOAUDPFFESSQ-UHFFFAOYSA-N 444.988 4.423 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(CCc2ccccc2)CC1 918220699 KNRHFYOFBYAZKW-UHFFFAOYSA-N 439.575 4.341 10 20 IICD CCCOc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OCC 919968366 HIHMJSAITMXWJV-UHFFFAOYSA-N 426.557 4.013 10 20 IICD COC(=O)CC1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 920823897 VAQLHMNRQGVIMO-UHFFFAOYSA-N 433.346 4.272 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(C(C)(C)C)cs1 1322549283 NJJCNAKUAKFBTL-CQSZACIVSA-N 434.581 4.101 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1 1322856559 GIWBUAXLMWBMIV-OAQYLSRUSA-N 430.957 4.263 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C(F)F)sc3C2)cc1 1812654291 VUGCHEIPECTMOE-HNNXBMFYSA-N 444.507 4.042 10 20 IICD CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736835 KQLIZTBISPMHIS-GOSISDBHSA-N 436.980 4.421 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 14253358 GYQAMZCCEFUOCU-UHFFFAOYSA-N 430.551 4.213 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC1=S 17699373 XGQUJECFDOFVRL-LICLKQGHSA-N 449.985 4.431 10 20 IICD Cc1csc(-c2cccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)n1 303796611 IYXZEJSYJFYSQB-UHFFFAOYSA-N 425.529 4.149 10 20 IICD COc1ccc(N(CC(=O)Nc2ccnn2Cc2cccs2)Cc2ccco2)cc1F 303834886 ALESYWKNXLJDII-UHFFFAOYSA-N 440.500 4.379 10 20 IICD Cc1c(CNC(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)n(C)c2ccccc12 471830297 CDDVKMNCAUQHCQ-GOSISDBHSA-N 447.583 4.303 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OCc4nc(C)no4)cc3)ccc21 510562997 XJHUKIKFKHIRJI-UHFFFAOYSA-N 434.496 4.427 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)c1 726627553 RRJVLYVXKAZBBM-FXBPSFAMSA-N 442.606 4.440 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1-c1ccccc1 727251456 ZFQQMDGOEGCGPL-UHFFFAOYSA-N 430.551 4.450 10 20 IICD COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 728467048 YNFJREBDTJAESU-MRXNPFEDSA-N 436.474 4.361 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 729046794 JCLGBUMCVGUDQK-AUUYWEPGSA-N 435.927 4.391 10 20 IICD CN(C)CCOc1ccc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 729615591 SLWASUUUXNTMED-UHFFFAOYSA-N 438.616 4.001 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 731115281 BVYNOVPPMWDXDZ-MRXNPFEDSA-N 440.521 4.257 10 20 IICD O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccc(N2CCSCC2)cc1 733312559 BFYBBDKFGSGBFL-UHFFFAOYSA-N 431.410 4.166 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nnc3ccccc3c2O)cc1 735657566 TXHOQUFCNWGTSY-UHFFFAOYSA-N 428.492 4.257 10 20 IICD Cc1cc(C(=O)CN2CCN(CC3CCOCC3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 736318976 QLOXQGIHICIIIK-UHFFFAOYSA-N 447.982 4.114 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)s1 741137215 PBISZUXNSLDUJQ-UHFFFAOYSA-N 435.552 4.191 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3SC)SC2=S)cn1 741302717 VQGSVOIKOYIGLB-PXNMLYILSA-N 434.564 4.235 10 20 IICD COCCOc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743108599 LHENURYUQSMNSF-QGZVFWFLSA-N 435.471 4.104 10 20 IICD COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 743555340 WEFDVUOARBOASR-QRVBRYPASA-N 443.563 4.221 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)N(C)Cc2ccccc2O)sc(C)c1C[C@H](C)CC 743892362 AKOXZKJHGDHEHG-CQSZACIVSA-N 446.569 4.125 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc2ccccc2n1CC 745334371 FPPHIRRPFBYTHC-UHFFFAOYSA-N 431.334 4.256 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3ccccn3)nc2O)cc1 746823347 FNOBUEJBSFDEIP-UHFFFAOYSA-N 428.492 4.351 10 20 IICD Cc1oc2c(CN3CC[C@H](Cc4cnn(C)c4)C3)c(O)ccc2c(=O)c1-c1ccccc1 747459650 FJYNCWQMIFPNER-GOSISDBHSA-N 429.520 4.272 10 20 IICD CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 748628421 VWBBNIFYYRRKSU-RBUKOAKNSA-N 425.520 4.102 10 20 IICD CC(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 748864926 JNBRYAUBLIEPFN-UHFFFAOYSA-N 436.580 4.138 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3N3CCSCC3)CC2)cc1 749005267 MIBVJYJZVRXWCV-UHFFFAOYSA-N 447.004 4.256 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)C1CCCCC1 751938370 ZDQWLPZKRKONMS-OAQYLSRUSA-N 429.586 4.289 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3nc(-c4cnn(C)c4)oc3C)c2C)c1 752598180 AHBOFDCOKHFBDI-UHFFFAOYSA-N 446.507 4.448 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3c(F)cc(F)cc3Br)CC2)cc1 753027430 UBZMNIZCKMTBNK-UHFFFAOYSA-N 440.288 4.480 10 20 IICD O=C(Cc1c[nH]c2cccc(Br)c12)N(Cc1ccccc1O)C[C@@H]1CCCO1 754092956 WMZHWKUKSTZYRD-KRWDZBQOSA-N 443.341 4.386 10 20 IICD C[C@@H]1Sc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2NC1=O 754543139 SPNQKVAANXMSBV-LBPRGKRZSA-N 428.469 4.147 10 20 IICD CC[C@@H](NCc1cc(Br)cc(OC)c1O)[C@H](c1ccc(C)cc1)n1cncn1 756043783 BMGGXLQHTZCMGB-QUCCMNQESA-N 445.361 4.221 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 761643216 DEWVIBIKVWZWLZ-QFIPXVFZSA-N 445.519 4.439 10 20 IICD Cc1ccc(Cc2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)cn1 761774595 LUNJFQUTPKWPCN-WJDWOHSUSA-N 442.591 4.259 10 20 IICD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C 762000230 KCLGYYPDSULONO-UHFFFAOYSA-N 430.320 4.060 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1-c1ccccc1F 768914556 FJFXTEZDPNAGFY-GOSISDBHSA-N 442.922 4.073 10 20 IICD Cc1cc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)c(C)n1-c1cccc(C(C)C)c1 769269944 KQSVUJYDSQOMLZ-UHFFFAOYSA-N 433.552 4.121 10 20 IICD C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccc(N2CCOCC2)cc1 771254431 WOTUDBSZTVQOBH-CQSZACIVSA-N 437.765 4.359 10 20 IICD COc1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)ccc1OCc1ccncc1 771824075 IRKQGCZUHCMEDE-OAQYLSRUSA-N 446.595 4.272 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@H](C)c3cc(OC)ccc3O)[C@H](c3ccco3)C2)cc1 775370493 VQDLTUTXGHWWCW-ZHRRBRCNSA-N 449.507 4.031 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cc1 776371465 LPVSHIFZGJUPSQ-UHFFFAOYSA-N 430.574 4.453 10 20 IICD COc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Cl 783327796 OUNNMWSZAIWKPG-UHFFFAOYSA-N 438.355 4.444 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1scc(C(C)C)c1C(=O)OCC 784024789 SXFZUCOXLXDMIN-UHFFFAOYSA-N 432.542 4.131 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 791247144 WCFVPVCWYSPAND-MSOLQXFVSA-N 430.495 4.457 10 20 IICD CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(Br)cc(C)c2O)n1 792197242 RMPNZXLSPOOOGH-OAHLLOKOSA-N 425.348 4.433 10 20 IICD CN(C)c1ccc(CNc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c(C(F)(F)F)c1 792865943 UUAFKHQQSWXITR-MRXNPFEDSA-N 435.490 4.228 10 20 IICD COc1c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(Cl)cc1C(=O)N(C)C 793575490 YBICGVWHNYVIIC-AWEZNQCLSA-N 435.927 4.199 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)n1-c1ccccn1 794023793 JMQBUVLJIBMPGU-QFIPXVFZSA-N 446.551 4.268 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc([S@@](C)=O)cc3)cc2Cl)C1 799994483 BFOYSGTVGPDTDI-GUNSETOZSA-N 434.005 4.313 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 801913935 PRYPFLSXMBFTEU-NRFANRHFSA-N 448.615 4.361 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)CCc3nc(-c4ccccc4)no3)c2C)cc1 804466559 DFQXNVQTHKZRPZ-UHFFFAOYSA-N 430.508 4.467 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 804626360 HTFDFJKPGIVPSU-KXFIGUGUSA-N 426.822 4.132 10 20 IICD COc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c1OC 806440563 YWVCUWPJQDCXTD-KRWDZBQOSA-N 429.586 4.126 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H]1CC(C)(C)c2ccccc21 806650496 UOUVPGOCFDZXIB-SFHVURJKSA-N 445.357 4.042 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1 806847004 GBOAAQXSTUGWHM-UHFFFAOYSA-N 440.569 4.463 10 20 IICD Cc1nc(-c2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)cs1 807513645 RFDRGMCKTPCPNE-UHFFFAOYSA-N 436.320 4.386 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 916625340 CZJQXCURXDGBOQ-OAQYLSRUSA-N 439.581 4.058 10 20 IICD Cc1cc(C(=O)CN2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccc(OC(F)F)cc1 917110034 MRJWOKPIUWFYJK-UHFFFAOYSA-N 447.526 4.115 10 20 IICD CC(=O)Nc1c(C)ccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C 917827865 OUMIDTTXDPAEBO-UHFFFAOYSA-N 441.487 4.088 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 919791831 AKNBLYZUXKRRFH-QFIPXVFZSA-N 425.529 4.313 10 20 IICD COC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1 1251510546 RVIFDKFLPXSDRD-UHFFFAOYSA-N 433.455 4.174 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(Cl)c3)cc2)C1 1317934962 XRLLUWSHPKAVOP-KNQAVFIVSA-N 440.975 4.088 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c1 1322856557 GIWBUAXLMWBMIV-NRFANRHFSA-N 430.957 4.263 10 20 IICD Cc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)s1 1800719344 IZFLDWRAZPLENR-CSLCPWPUSA-N 446.956 4.086 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](C)c3ccccn3)C2)cc1 1846666776 RLEHZHSSQOXUCV-OAQYLSRUSA-N 442.563 4.110 10 20 IICD Cc1c(CNC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)n(C)c2ccccc12 470642351 CUYLENYVZWXYCN-UHFFFAOYSA-N 443.507 4.221 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 729278630 RLCSXXKBTUAZOH-SGTLLEGYSA-N 437.323 4.190 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2F)CC1 730384162 ZOJAJCMIHYMHCY-UHFFFAOYSA-N 442.432 4.447 10 20 IICD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c(O)c1O 733475122 ABZRILVONPSBIP-OAHLLOKOSA-N 438.505 4.278 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 735520184 XRUYYMFCBZZJRU-OAQYLSRUSA-N 440.540 4.490 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc2F)C[C@@H](C)O1 735679989 CYTWHHNRFOJIFY-JXOCDABTSA-N 435.584 4.080 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)c2C)c1 736567248 JIQSTLZUOWNSQD-UHFFFAOYSA-N 431.536 4.436 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c1O 737279545 YAOCEHILYQAQKY-QGZVFWFLSA-N 434.492 4.104 10 20 IICD C[C@@H](Cc1ccccc1F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754279 OKTRKOWHYIFMCX-JTSKRJEESA-N 443.563 4.453 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1OC 743413534 GMEAGIDJWWPMAP-UHFFFAOYSA-N 439.556 4.118 10 20 IICD COC(=O)CN(Cc1csc(-c2ccc(OC)cc2)n1)Cc1cc(Cl)ccc1O 744402300 MFYHBGOOTXIMGD-UHFFFAOYSA-N 432.929 4.353 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1CCC[C@H](C)C1 745509514 FVPCXRWEMNLMMD-INIZCTEOSA-N 426.399 4.198 10 20 IICD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 750262539 ATIDQZOTASIBBT-PBWJEYPYSA-N 426.542 4.237 10 20 IICD C[C@H](N[C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1ccc(N2CCOCC2)cc1 751596720 OZRGNTQNSDPOIJ-IEIRFRATSA-N 447.579 4.171 10 20 IICD O=S1(=O)CCN(Cc2c(O)ccc3cc(Br)ccc23)CC12CCCCC2 754011219 SBCLNZDLCKRTGX-UHFFFAOYSA-N 438.387 4.241 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@@H](C)[C@H]2CCCOC2)sc(C)c1-c1ccccc1 754570897 UJLOAKPWSQZWDI-YJBOKZPZSA-N 430.570 4.243 10 20 IICD C[C@H](NCCCOC[C@H]1CCCO1)c1cc(Br)cc(Br)c1O 756357088 BMUBRWVQGAMLRH-WCQYABFASA-N 437.172 4.154 10 20 IICD C[C@@H](N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O 756415122 KRXIMLDZTKEFBK-FZKQIMNGSA-N 437.418 4.334 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)cc(Cl)c3O)cn2)CCO1 756432240 QFHJEIXIHYJBFK-QWHCGFSZSA-N 440.769 4.279 10 20 IICD C[C@@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(Cl)c1O 756597323 LTTXXAPGQAYGSH-GFCCVEGCSA-N 425.754 4.403 10 20 IICD COc1cc(N2CCN(C(=O)[C@H](C)c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759222502 SJKFVSFAEUBNIU-GOSISDBHSA-N 434.536 4.318 10 20 IICD CC(C)Oc1ccc(N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 759915086 OUVHYBBDGRTLQA-UHFFFAOYSA-N 433.434 4.148 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2cccc(Cl)c2)CCOCC1 761151178 OZBGABFLHOFFHG-UHFFFAOYSA-N 449.334 4.212 10 20 IICD O=C1/C(=C\c2cc(Br)cc3c2OCC3)SC(=S)N1CCc1ccccn1 764885637 LRJCVLBTXYPFSH-LFIBNONCSA-N 447.379 4.223 10 20 IICD CC1(C)C[C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccccc21 765279370 DSPGNRHNIPBBHE-QHCPKHFHSA-N 431.559 4.455 10 20 IICD CC1CCN(c2cccc(NS(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)c2)CC1 767691023 RNXIHBVIAUVIGW-SFHVURJKSA-N 448.560 4.278 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c2)CC1 767931942 QPKLWXRPNVELCF-UHFFFAOYSA-N 447.333 4.140 10 20 IICD Cc1ccc(C(=O)NCC(F)(F)F)cc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 777634613 QOFYGSCSGRDBFU-HNNXBMFYSA-N 439.453 4.436 10 20 IICD CCOc1ccc(CN2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c(O)c1 779613674 PTHCOQSMCRDSRT-QHCPKHFHSA-N 437.540 4.176 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1 784113941 UOGVLGPADHJEAO-UHFFFAOYSA-N 444.535 4.405 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 784222783 MCHKDFPMTMVDPE-XMMPIXPASA-N 430.593 4.123 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1cccc(Br)c1)C1CCOCC1 787400993 SOPCQDUVAZHXHA-ALCCZGGFSA-N 432.314 4.081 10 20 IICD C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc(C(F)(F)F)c1O 788820467 VMLREEHRLVXWLG-DMZKTXOQSA-N 447.457 4.487 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788937919 OTEGLXZVWQZSAB-HSZRJFAPSA-N 447.604 4.373 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Br)cn1 793409166 BXVMGGHLICKPNU-RHSMWYFYSA-N 434.334 4.002 10 20 IICD CCOc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2cccnc2)cc1 799927177 SPUNYTHAEFBVKS-UHFFFAOYSA-N 426.483 4.244 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[S@](=O)Cc3ccccc3)cc2Cl)C1 799930431 NYYMTIPZFPQCGH-JJCDCTGGSA-N 448.032 4.324 10 20 IICD Cc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)NC(N)=O 800048819 IOSGKFGNPNZBIC-KKSFZXQISA-N 442.991 4.301 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800148085 HJPRWFZMZAHDGW-OAHLLOKOSA-N 435.977 4.013 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3scnc3C3CC3)cc2Cl)C1 800636307 IWCBCFZHEYHGSQ-CYBMUJFWSA-N 432.977 4.165 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCSC[C@@H]3c3cnn(C)c3)cc2Cl)C1 800719805 NTGIZVWSSQMCGZ-HRAATJIYSA-N 448.036 4.310 10 20 IICD COc1ccc(N2CCC(Nc3ccc(S(C)(=O)=O)cc3C(F)(F)F)CC2)cc1 804415833 MWCHZIUJMPMINL-UHFFFAOYSA-N 428.476 4.198 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(C)c3-c3ccccc3)cc2F)C[C@@H](C)O1 806777723 NWHUUDPJDZQGIW-CALCHBBNSA-N 437.519 4.162 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C 807403936 TYIUCGCVGYKIJQ-FOIQADDNSA-N 434.378 4.378 10 20 IICD CCCCN1CCc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 807512497 XHQYMNSWZHQRFY-UHFFFAOYSA-N 436.339 4.117 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)cc1 917906689 IFPVGZQDTVWKTH-UHFFFAOYSA-N 432.523 4.186 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(C)n1-c1ccccn1 919832298 MAPGMSDVVAPCOQ-UHFFFAOYSA-N 436.943 4.131 10 20 IICD CC(C)(C)Oc1ccc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 1319392471 ZVGLFRDTFNVEPT-UHFFFAOYSA-N 439.600 4.115 10 20 IICD C[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)cc(Br)c1O 1320134290 VNTPIASBUCJWGA-NEPJUHHUSA-N 448.199 4.216 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nnc(C4CCN(c5ncccn5)CC4)o3)ccc21 1322271415 OLWUNBCRMXVNDD-UHFFFAOYSA-N 432.528 4.129 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc(-c4cnn(C)c4)cc3)SC2=S)c1 1344420039 ZBCUPMXMJXAAAP-KEBDBYFISA-N 434.546 4.451 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccs2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290570 APAXULUDHCTCRG-AWEZNQCLSA-N 446.916 4.156 10 20 IICD COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 110064586 KOYWQDQWKVOKPO-QGZVFWFLSA-N 439.943 4.467 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2F)C[C@@H](C)O1 227087183 QSPBGDBMYIANEL-MPCDZSKCSA-N 448.542 4.423 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2F)cc1 302763260 GROPSAJIWQUPDL-SFHVURJKSA-N 435.337 4.476 10 20 IICD C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOc2cc(N(C)C)ccc21 437019962 PIFKDFXVSYCABR-GFCCVEGCSA-N 439.737 4.361 10 20 IICD Cc1c(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n(C)c2ccccc12 472293252 KEXDZICKVXULCY-MRXNPFEDSA-N 439.947 4.095 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCCC(=O)N3CCc4ccccc43)ccc21 518428975 RQDLHGFKAJEVPL-UHFFFAOYSA-N 433.552 4.004 10 20 IICD O=C(Nc1ccc(-c2nc(Cc3nc4cc(F)ccc4s3)no2)cc1)C1=S=CC=C1 680741543 ADEQOFLFXVLNDP-UHFFFAOYSA-N 436.493 4.292 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2ccccc21 726612721 FOGGKGRJTVILHW-KRWDZBQOSA-N 444.526 4.007 10 20 IICD CCOc1cc2c(cc1NC(=O)NC1CCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2 726695468 UYOKYJGSPPWIJW-MRXNPFEDSA-N 425.529 4.208 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 728139711 HUZKGKGXFOFPOM-UHFFFAOYSA-N 425.426 4.288 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3OC(C)C)cc2)CC1 731131738 QBCWPCXYWLJYPM-UHFFFAOYSA-N 427.520 4.104 10 20 IICD C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 732063541 UORKOANZAMVMSE-VXKWHMMOSA-N 435.612 4.044 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc(OC)c1OC 741795938 UYYUJUKGEYWNDO-UHFFFAOYSA-N 442.512 4.219 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCN(Cc2ccccc2)CC1 742806167 PZYWMYZBPLBVKL-NRFANRHFSA-N 443.538 4.285 10 20 IICD CCCNC(=O)c1cccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1 743093632 AQOWNBFOWHWPAW-UHFFFAOYSA-N 434.334 4.349 10 20 IICD COCCn1c(C)cc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1C 743282049 IWVHATFAQGAXIY-JZQBQCRLSA-N 428.579 4.476 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](C)C[C@H]2c2ccccc2F)c1 743374686 QYPPKWVCVTYAMB-OSPHWJPCSA-N 426.532 4.149 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c(C)nc2cc(C)nn2c1C 743808908 GURKVGLJBJEPPN-UHFFFAOYSA-N 445.361 4.104 10 20 IICD COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccc(Br)cc1 750042783 MBGQTTVTGDJESS-MRXNPFEDSA-N 426.694 4.015 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 753856320 FBBIANWZVSHRRF-CQSZACIVSA-N 441.425 4.121 10 20 IICD COc1ccc(-c2nc(CN3CCN(c4ccc(OC)c(F)c4)CC3)cs2)c(OC)c1 753857411 LMZZKIBETIBQHO-UHFFFAOYSA-N 443.544 4.297 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 761619628 XQAQKTSAHCGKNA-UHFFFAOYSA-N 449.385 4.326 10 20 IICD C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1cccc(Br)c1O 765730363 AFWGCAJLAGCMKN-VIFPVBQESA-N 447.098 4.140 10 20 IICD C[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc(Cl)c(Cl)cc1O 774174132 PACRVRPSCLKEMB-WMLDXEAASA-N 436.383 4.247 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775257023 DJXUUSUCUOHCRN-CQSZACIVSA-N 439.890 4.067 10 20 IICD CN(CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1)C(=O)OC(C)(C)C 779597700 VELBDNYUDVOULM-UHFFFAOYSA-N 435.584 4.131 10 20 IICD O=C(Nc1cnc(-c2ccccc2)nc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896672 SLANIJINQDXOFZ-UHFFFAOYSA-N 430.508 4.149 10 20 IICD CC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C 783483286 RJOOQPREZZDKSO-KRWDZBQOSA-N 430.508 4.269 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccc(Cl)c(Cl)c3)cc2)CC1 786260464 XJKTZJMJAZLIJL-UHFFFAOYSA-N 448.394 4.301 10 20 IICD CCCOc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(OC(C)C)c1 790655990 QDGRYOXODIOQIR-UHFFFAOYSA-N 440.584 4.401 10 20 IICD COCCCC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 792049067 AHBPCTREZWCCAF-GBXCKJPGSA-N 425.573 4.441 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)C2CCC(O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 795645858 YRXSIMMNYNFBJL-HJOIGYKYSA-N 435.467 4.361 10 20 IICD O=S(=O)(Nc1nccs1)c1cccc(NCc2cc(Br)ccc2O)c1 796430590 NLAMSIISZHILPI-UHFFFAOYSA-N 440.344 4.024 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(Cc2cccc3ccccc23)n1C 800764935 ZOKYSZBNQZHYEP-UHFFFAOYSA-N 427.552 4.032 10 20 IICD Cn1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)s2)cn1 800792688 GPARUEMMZGTKIS-IDUWFGFVSA-N 427.532 4.283 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Oc2cccnc2)cc1 806512165 NNPNPXONYGRJFJ-IBGZPJMESA-N 432.524 4.271 10 20 IICD CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1F 813612737 GPQNHBWXEPJVJN-QGZVFWFLSA-N 434.556 4.013 10 20 IICD O=S1(=O)CCCN1c1cccc(CN[C@H](CCc2ccccc2)c2ccccc2O)c1 815616806 YPRPRQUIBADRJZ-XMMPIXPASA-N 436.577 4.396 10 20 IICD Cc1sc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c(C(=O)OC(C)C)c1-c1ccccc1 913193759 XZRWVBHMVAWLDU-INIZCTEOSA-N 426.538 4.238 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)c1 914851961 SNWRVFKWHMSVAH-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC 915164257 QBPONBBLNSMGET-LJQANCHMSA-N 444.443 4.260 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)N[C@H](C)c1nncn1C 916580747 SOGOTFKRPHRRCL-RDTXWAMCSA-N 446.477 4.371 10 20 IICD CN(Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 916625353 DWHAANJRTMLGOT-UHFFFAOYSA-N 434.403 4.344 10 20 IICD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919969756 FWURFFKEWLNMOL-HNNXBMFYSA-N 437.367 4.286 10 20 IICD C[C@H](NC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920872907 XWRVGBRMXYVDCO-INIZCTEOSA-N 437.462 4.025 10 20 IICD Cc1ccc2c(c1)S[C@H](C(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)C2 1317870265 QMTYGKXKPQCIKO-FQEVSTJZSA-N 436.499 4.184 10 20 IICD Cc1nc(CSCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1 1322333326 LIYMTQABROUFDQ-UHFFFAOYSA-N 427.542 4.071 10 20 IICD CC/C=C(\C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790125369 FHXFVNPMJVCDMY-OUXTULQRSA-N 449.595 4.044 10 20 IICD Cc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)s1 1797234613 ADSUDTVBRUKUBP-QQFNCUIESA-N 448.592 4.425 10 20 IICD Cc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 26467307 MVZDBKKVZXLMMU-UHFFFAOYSA-N 441.881 4.146 10 20 IICD C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCC(O)CC5)c(F)c4)cc3c2C1 195641009 ZERRCDAMODMQOS-MRXNPFEDSA-N 435.543 4.323 10 20 IICD Cc1c(CNC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n(C)c2ccccc12 472280836 BCHGWFMFYOITII-NRFANRHFSA-N 429.467 4.371 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2c(C)c3ccccc3n2C)c1=O 568558804 GUCTUOJLJKIIGC-UHFFFAOYSA-N 432.499 4.466 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccnc(OC4CCCCC4)c3)CC2)cc1 726616237 KZIYCVNLBQBAQK-UHFFFAOYSA-N 438.572 4.270 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@@H](N3CCCC3)C2)sc(C)c1-c1ccccc1 727160262 YJXGOUMQYQSMQI-LJQANCHMSA-N 441.597 4.009 10 20 IICD O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1CCc1cccnc1 727864421 VTYIVAMOHLOTDF-OQLLNIDSSA-N 437.449 4.035 10 20 IICD CCn1c(/C(Cl)=C/c2cccnc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 728699561 TZWWRIFSIFUMIS-UVTDQMKNSA-N 425.341 4.092 10 20 IICD C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1 728891407 RCIDCMIWTXZQSD-GFCCVEGCSA-N 446.371 4.196 10 20 IICD CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 728958722 BSKUANMDEWPSRL-XLIONFOSSA-N 440.613 4.061 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 730591243 VLPSATACACIRFN-JTQLQIEISA-N 440.809 4.145 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)s3)n2)cc1 731059010 MPWUEWDAPHYXDL-UHFFFAOYSA-N 435.596 4.050 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OCC(F)(F)F)cc2)CC1 731132244 WOVVWMPECPHVJU-UHFFFAOYSA-N 449.473 4.119 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)c(Cl)c3)SC2=S)cc1 731501131 ZCDSGSAJOXTZQQ-RIYZIHGNSA-N 440.880 4.446 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)c2C)cc1 732966523 LVZOJOUUVYTTKG-IBGZPJMESA-N 425.573 4.117 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 737218136 MMXYLASYUDWBDM-UHFFFAOYSA-N 434.565 4.003 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 741090239 FIQAYKQCMBGSRM-RUZDIDTESA-N 440.547 4.112 10 20 IICD CCCc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c(C)c1C(C)=O 742798451 NULOWNWXHFHZJO-INIZCTEOSA-N 433.499 4.478 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cc2c1OCO2 743285024 RURYGRWIRZIDQO-MWJIIQFGSA-N 425.531 4.183 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)Oc1cccc(Br)c1 743552909 VFYCIOSPVCAMQF-MRXNPFEDSA-N 432.362 4.316 10 20 IICD Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1-c1ccc(Br)cc1 743716165 DZFPPWFCVYJPBS-UHFFFAOYSA-N 440.341 4.458 10 20 IICD CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 745649212 ZRUGWFQMFTZBEU-OAHLLOKOSA-N 434.581 4.017 10 20 IICD CCC(CC)(CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)NC(=O)OC(C)(C)C 746004917 PJSHOHWZLOMTRP-UHFFFAOYSA-N 448.608 4.000 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1ccc(F)cc1)C1CCCC1 746947383 YMDMYGGSHYIGMJ-UHFFFAOYSA-N 443.538 4.498 10 20 IICD CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 747757264 HWQKCRMLYISRCL-KRWDZBQOSA-N 446.389 4.235 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cc1F 749642084 DMAHQEGGXNNTHY-UHFFFAOYSA-N 427.520 4.156 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4ccccc43)cc2F)C[C@@H](C)O1 749931456 NDBZOXBAUFDZGX-LZJOCLMNSA-N 427.520 4.152 10 20 IICD CC(C)C[C@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 752227720 YXPIQUDMXGDPEO-ZENNRRHLSA-N 441.416 4.201 10 20 IICD O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 759588482 LSKMDLQTGKNPHB-YKATVRGKSA-N 437.879 4.213 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4nccnc4c3)c2C)c1 759809958 CVWXNLYRRJVWLV-UHFFFAOYSA-N 432.505 4.194 10 20 IICD Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)ccc1N1CCC[C@@H](C)C1 762311021 YVJFQTFXUZMTDZ-CQSZACIVSA-N 442.541 4.025 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)n2)c(C)o1 763388994 GHHWPPXYOHIXFJ-UHFFFAOYSA-N 449.529 4.196 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(C(=O)NC2CCCC2)cc1 765253332 QUKQSJPLCWYQCJ-UHFFFAOYSA-N 432.318 4.149 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1F 765482754 ZKDAUXPIHIPRDV-UHFFFAOYSA-N 439.453 4.104 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCNC(=O)Nc1ccc(Br)cc1 769290891 LBXRXVCQYDEIPW-UHFFFAOYSA-N 434.334 4.105 10 20 IICD COc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O 769515454 SSQQFZSOOSWJKR-CVEARBPZSA-N 441.366 4.137 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cc(I)c(F)cc1F 772068009 OGZPBVAQGGBSNG-UHFFFAOYSA-N 428.220 4.422 10 20 IICD CN1CCc2ccc(NC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)cc21 775987346 OHKOIRHNXQUBCW-AQTBWJFISA-N 443.619 4.361 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 777823423 SLOFTEYPWJMRSR-FQEVSTJZSA-N 439.515 4.401 10 20 IICD CC1(C)C[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C(C)(C)O1 778132803 MUHPCGIMWCDWDV-SZGZABIGSA-N 438.640 4.192 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC3 778629391 GPJJTLYTTBWONJ-ICSRJNTNSA-N 432.568 4.231 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 782781603 NZCVONGVWRSTSJ-UHFFFAOYSA-N 440.563 4.259 10 20 IICD O=C(COC(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc(O)c(O)c1 783745849 RSSSUMQHGWFQPJ-UHFFFAOYSA-N 440.296 4.085 10 20 IICD COc1ccc(F)c2[nH]c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc12 793295045 LXIGWMRCWGQCDM-SFHVURJKSA-N 425.504 4.203 10 20 IICD COc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)cc1C 797357649 SYRLKUTZBRSWIN-UHFFFAOYSA-N 430.416 4.248 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 799186886 IXGPBGQOTYTITF-UHFFFAOYSA-N 427.551 4.421 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1 806839297 FDFJLFMVRWRBRP-UHFFFAOYSA-N 430.480 4.089 10 20 IICD CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)s1 808528366 YTVMGWYRRMWREP-UHFFFAOYSA-N 449.366 4.333 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc(N4CCCNC4=O)cc3)ccc21 812572732 PBPNKXTUVWIPEN-SFHVURJKSA-N 448.567 4.315 10 20 IICD CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 857473399 YGXNXMVIGYPTRG-FQEVSTJZSA-N 445.991 4.331 10 20 IICD Cc1cc(CCNC(=O)N2CCCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1 916220827 DBSCPKKCNZYXML-UHFFFAOYSA-N 444.579 4.194 10 20 IICD CC(=O)c1cc(CN(C)Cc2cccc(C(F)(F)F)c2)c(O)c(CN2CCOCC2)c1 917473961 HTQNHUMFSXLLCF-UHFFFAOYSA-N 436.474 4.078 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCc2nc(-c3ccccn3)no2)c1C 919104970 JSPKYBZGBZJOTL-UHFFFAOYSA-N 444.491 4.206 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 919915999 MGTFNPTWRBLPHW-MDOVXXIYSA-N 447.938 4.416 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 919925125 KCKRVKZVOMXAAV-UHFFFAOYSA-N 425.573 4.041 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1c2ccccc2Oc2ccccc21 919968751 VBWUMJQBWHTHIG-UHFFFAOYSA-N 428.532 4.449 10 20 IICD O=C(/C=C\c1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 920495810 HSWQSHKFEVHNLJ-SEYXRHQNSA-N 444.531 4.466 10 20 IICD COc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1318090049 MNOMIMYXFJTIBH-CQSZACIVSA-N 434.334 4.177 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C(C)C)on3)C2)cc1 1842543670 GGLGSAYVOCDJHC-UHFFFAOYSA-N 446.551 4.336 10 20 IICD COc1ccc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c(C)nc2c1 108453978 MNAFOGSTYDMEAQ-HZPDHXFCSA-N 437.515 4.235 10 20 IICD CCOc1cccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1O 236926456 GFTOKDNPEGVCQX-QFIPXVFZSA-N 447.503 4.352 10 20 IICD Cc1c(CNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 472228458 FVQDBMWJZYWVIQ-QGZVFWFLSA-N 449.473 4.087 10 20 IICD CN(CCOc1ccccc1F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726718338 MHJZVIUNEXIRSO-UHFFFAOYSA-N 437.462 4.116 10 20 IICD Fc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1N1CCOCC1 727470247 LWNWEIXJHDWXOY-UHFFFAOYSA-N 435.490 4.022 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)ccc21 729051662 UWCICVAJLMOELJ-UHFFFAOYSA-N 431.540 4.208 10 20 IICD O=C(NCCCCCN1CCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 732252821 BCXNKIMXGZQCBH-UHFFFAOYSA-N 438.563 4.212 10 20 IICD Cc1cc(Br)ccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 732468613 XZMZBAFDVNJYIV-IBGZPJMESA-N 433.346 4.354 10 20 IICD O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCSc1nccs1 736680362 IGHJCSWMFSXOPX-INIZCTEOSA-N 447.529 4.191 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 737542513 LRPYQWQTDBKVCO-UHFFFAOYSA-N 444.457 4.299 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(C(=O)OC)c3)n2)s1 740605169 NFLBDXNTDXADAF-UHFFFAOYSA-N 438.552 4.030 10 20 IICD Fc1cc(F)c(NNC(=S)Nc2ccc3c(c2)OCCCO3)c(Br)c1 741859335 CEZYNOIBWSUPTD-UHFFFAOYSA-N 430.274 4.202 10 20 IICD O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743077387 FGTNQHFLDDJDPV-INIZCTEOSA-N 427.455 4.264 10 20 IICD O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N(Cc1ccccc1O)C1CCCCC1 743096258 APUHUVAPMLJKFK-UHFFFAOYSA-N 443.569 4.299 10 20 IICD COc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 745906116 WPHWGGYYQBRIOK-KRWDZBQOSA-N 449.498 4.116 10 20 IICD COCCn1cc(S(=O)(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cn1 747750433 AMSMGRRUZYFWHB-UHFFFAOYSA-N 440.550 4.121 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(CN4CCC[C@@H](C(N)=O)C4)cc3)c2C)c1 750582825 IIZOKVQTQITEBS-JOCHJYFZSA-N 444.579 4.352 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N(C)Cc3ccc(N(CC)CC)cc3)c2)n1 751012388 VEDBZPVRXBYCMT-UHFFFAOYSA-N 449.555 4.051 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1csc(I)c1 751307879 NMWKHSKYWDTKOW-UHFFFAOYSA-N 446.273 4.315 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 752559929 NNIUANYOFARONE-INIZCTEOSA-N 441.366 4.197 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cc1F 753739040 OTBFIHBXNAVYKE-UHFFFAOYSA-N 439.512 4.111 10 20 IICD CCOC(=O)c1c(NC(=O)CNC(C)(C)c2cnn(C)c2)sc(C)c1-c1ccccc1 754872254 JWNKTCHMRMMJAL-UHFFFAOYSA-N 440.569 4.097 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1 756537487 ZSRDLYYKSHGRMM-CJNGLKHVSA-N 426.579 4.004 10 20 IICD COc1cc(F)c(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 758626550 BWBUGBNWNZPCSZ-UHFFFAOYSA-N 445.388 4.151 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 764645148 VNCYCLLJIOMSOO-UHFFFAOYSA-N 435.612 4.153 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2c(c1)CCC(=O)N2 765078543 LWGCAGDHWRJCHA-HNNXBMFYSA-N 433.474 4.278 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNC1CCN(CCc2ccccc2)CC1 765080915 UCTAZVCYQGUHMA-UHFFFAOYSA-N 447.545 4.339 10 20 IICD CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 765756904 OQAQCMLHOHNREH-MRXNPFEDSA-N 435.318 4.037 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CCCc3ccccc3)cc2)C1 769037329 LWVFGOQLTKTPPJ-ILBGXUMGSA-N 448.611 4.085 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(Cl)cc3)C3CCCC3)nc12 775377074 UOAUUSLLOGFFTO-HXUWFJFHSA-N 428.920 4.286 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC=C(COC)CC2)sc(C)c1-c1ccccc1 775829537 KZZIKSLHKPKMME-UHFFFAOYSA-N 428.554 4.117 10 20 IICD C[C@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(N(C)C)cc1 776237500 AUUHTUZVXIZXLX-RDJZCZTQSA-N 428.964 4.259 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 776237629 HSDOBRWXAYYBHE-MSOLQXFVSA-N 441.551 4.196 10 20 IICD C[C@@H]1COc2ccccc2CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 782719656 UTLYBZHRTSXBBI-MRXNPFEDSA-N 431.483 4.250 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1F 782719866 XLHKJICXRWUINZ-IBGZPJMESA-N 425.426 4.194 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C2CC2)cc1 782778230 OTDSIYKSCSLUFE-UHFFFAOYSA-N 445.510 4.338 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(N)cc1 783486600 PMUIUIUCGZSJQK-KRWDZBQOSA-N 431.492 4.163 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058949 DGUYEAKCUVZFGD-UHFFFAOYSA-N 436.556 4.476 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc2c1CCCC2 785192130 KMYGRWOJQYYCNU-UHFFFAOYSA-N 431.330 4.021 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2Cl)C1 791064340 RSKJDXVBRZUDOE-APWZRJJASA-N 447.000 4.154 10 20 IICD CCCCNS(=O)(=O)c1cccc(NC(=O)N(CCCC)Cc2ccccc2O)c1 801609256 DMDIHVQGRNJMIZ-UHFFFAOYSA-N 433.574 4.305 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 807511526 NWBMRXIRCKVORB-UHFFFAOYSA-N 425.165 4.112 10 20 IICD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F 807511866 YVAMZLOGWIMTGE-UHFFFAOYSA-N 447.265 4.409 10 20 IICD Cc1cc(Cl)cc([C@H](C)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c1O 808717271 GMUXTBOBAWZZJI-LFVRLGFBSA-N 427.932 4.430 10 20 IICD C[C@H]1CN(c2ccc(CNCc3nc4ccccn4c3Br)cc2F)C[C@@H](C)O1 809606697 APHXUAMIRXJKLV-GASCZTMLSA-N 447.352 4.139 10 20 IICD C[C@@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(N2CCOCC2)cc1 810207889 PGTZCAMZZCCTKI-MRXNPFEDSA-N 445.585 4.447 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1 812606561 LSCILBSPHHFEDX-MRXNPFEDSA-N 443.450 4.233 10 20 IICD O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473491 ZCOMLVFGCUHGRI-KRWDZBQOSA-N 426.866 4.388 10 20 IICD COc1ccccc1NC(=O)[C@@H](OC(=O)c1sc2nc(C)cc(C)c2c1N)C(C)C 877874276 KWGSZFLPYIHPFI-SFHVURJKSA-N 427.526 4.324 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nnc(C2CC2)s1 914110036 ZADNJIRQRZIMLK-XFXZXTDPSA-N 436.609 4.097 10 20 IICD COCc1nc(OC)c2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)sc2n1 914438549 CQMRUPGVWAPBOI-UHFFFAOYSA-N 440.569 4.026 10 20 IICD Cc1ccccc1CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914440176 YDLQUONBNAAKFY-NBVRZTHBSA-N 430.620 4.397 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 916224801 TZKSZRHYMOYYHC-HSZRJFAPSA-N 435.547 4.481 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3Cl)cc2F)C[C@@H](C)O1 917917952 KZEGRODWQBNTMA-BETUJISGSA-N 447.359 4.225 10 20 IICD Cc1cc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 918129196 SXQVAGFJHRMDQR-UHFFFAOYSA-N 430.957 4.092 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 918303947 NFVBCCXMTBZFMU-UHFFFAOYSA-N 447.564 4.116 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1I 918371520 KVSHZNCQTLFEEG-UHFFFAOYSA-N 442.684 4.034 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1F 918438774 HXXFSNMLWDUREN-UHFFFAOYSA-N 449.551 4.301 10 20 IICD Cc1cc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c(C)n1-c1cccc(Cl)c1 919977625 RZLIIODFZBYDGF-UHFFFAOYSA-N 436.899 4.052 10 20 IICD O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 1319933193 DHPFPQMNPFMFHS-GOSISDBHSA-N 443.389 4.295 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCCCCC3)nc2)cc1 303133351 OUCKEDVXMNLGEI-DEOSSOPVSA-N 436.600 4.349 10 20 IICD C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 726243239 IEMCGYYOXKWSMU-IRXDYDNUSA-N 446.389 4.277 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1O 726608186 RFQQWHBOCKDJTI-UHFFFAOYSA-N 427.835 4.314 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1I 727851690 NRQFSOXTLXUGIM-UHFFFAOYSA-N 446.082 4.032 10 20 IICD CN(C)c1ccc(CN(Cn2ncn(CC(F)(F)F)c2=S)CC(F)(F)F)cc1 728904359 NKRZDLITAJFKNW-UHFFFAOYSA-N 427.418 4.064 10 20 IICD COc1ccccc1[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 730064806 NVGQOLMPJUMVDZ-OAQYLSRUSA-N 427.520 4.108 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731016262 FSGNUSKNUUBFGD-UHFFFAOYSA-N 430.552 4.225 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)CC1 731131553 NHFWCDFJDKXHHQ-UHFFFAOYSA-N 437.437 4.336 10 20 IICD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2 741240387 MXLCTULVOPRQKW-FCHUYYIVSA-N 430.976 4.069 10 20 IICD Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742803788 PKKCATVPCDVREA-QGZVFWFLSA-N 426.467 4.181 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(OCCN4CCN(C)CC4)cc3)c2C)c1 742897168 HCCCOAISUWYYPP-UHFFFAOYSA-N 446.595 4.281 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 745357440 KCIFKYQXRFCNEI-VWLOTQADSA-N 438.616 4.055 10 20 IICD C[C@H](NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(N2CCOCC2)cc1 746731092 ZNAZSTHKRJUDRY-KRWDZBQOSA-N 439.947 4.304 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2nnc(S)s2)cc1 747385663 DOPQYRJBMYNFPU-UHFFFAOYSA-N 446.623 4.227 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 749181008 DDMHYBDSNPHFKY-UHFFFAOYSA-N 431.540 4.132 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 749731558 SMGJPTXSAWQOCX-UHFFFAOYSA-N 439.006 4.024 10 20 IICD COc1cc(NC(=O)CN(C)Cc2ccc(OCc3ccccc3)cc2O)cc(OC)c1 753550956 WVEQTXJEXJDTEH-UHFFFAOYSA-N 436.508 4.059 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c12 753732334 STTHSMZSPTUDOE-UHFFFAOYSA-N 438.503 4.163 10 20 IICD COC(=O)c1ccc(Br)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 755982335 AGYRSLQYGZTNIR-UHFFFAOYSA-N 442.331 4.174 10 20 IICD Cc1cccc(Cl)c1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 757669889 CGQUSSJNYDNDQC-UHFFFAOYSA-N 433.847 4.219 10 20 IICD CCOC(=O)[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C1CCOCC1 759946803 GIICIOASNSQRKW-JOCHJYFZSA-N 438.528 4.256 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(Cn5cncn5)cc4)no3)ccc21 761553860 RJAFGVZWLQEEIE-UHFFFAOYSA-N 428.496 4.261 10 20 IICD CCc1ccc(-c2noc([C@H](C)N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)n2)cc1 762207977 SWVSMKJUSMERAI-ZDUSSCGKSA-N 440.887 4.183 10 20 IICD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 764240132 GCUFEGRHQRWLLW-KRWDZBQOSA-N 444.601 4.026 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccccn1 765534681 NNRCRQIMHFLPOD-LJQANCHMSA-N 442.313 4.147 10 20 IICD Cc1ccc(F)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1F 767049695 YSTYNSWBJHSQBY-SFHVURJKSA-N 433.499 4.335 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1O 779011468 JVFNUEDMNPJGRJ-GFCCVEGCSA-N 432.767 4.241 10 20 IICD Cc1cc(C)c([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c(O)c1 788691283 ZPZRBURGGJDQPL-HXUWFJFHSA-N 430.614 4.422 10 20 IICD O=C(NCc1ccccc1O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 788765290 JGMLEIWRCOQHDB-IBGZPJMESA-N 426.314 4.333 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)CC2)cc1 795802448 DABPNZXPSZNADL-UHFFFAOYSA-N 448.894 4.268 10 20 IICD CCN1CCN(c2ccc(CN[C@H](Cc3ccncc3)c3ccc(OC)cc3)cc2F)CC1 796756706 YJKKWMJDVWVMSN-AREMUKBSSA-N 448.586 4.445 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCN(c4nccs4)CC3)cc2Cl)C1 799993757 FCAAQIVQYJSULT-KRWDZBQOSA-N 448.036 4.455 10 20 IICD CCOC1CC(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 803272855 HOLOHOMDTJKAKI-LFIBNONCSA-N 425.597 4.088 10 20 IICD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)sc2C1 806877610 BJCHAQMPSNMQGJ-OAHLLOKOSA-N 446.592 4.144 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OCC(F)F 808383504 HGGZCFMTIXZLSI-MRXNPFEDSA-N 436.499 4.035 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CC[C@@H](C(F)(F)F)CC3)cc2F)CC1 812032001 BAZDMSJMBNJDTE-HDICACEKSA-N 444.517 4.230 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(C(=O)NCCCSc3nccs3)CC2)cc1 813098575 JOLZNMVBRXLUSZ-LJQANCHMSA-N 435.615 4.179 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 814274489 PAIQVBGEBSODEI-ATVHPVEESA-N 429.519 4.286 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 916453432 UJBJUQFYRNSICX-LBPRGKRZSA-N 448.406 4.009 10 20 IICD CN(Cc1nc(O)c2ccccc2n1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918293819 BZAITMPFMYVIJJ-UHFFFAOYSA-N 440.463 4.348 10 20 IICD Cc1cccc(CN(Cc2ccco2)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 919655530 SGUDVMYEDGGEFJ-UHFFFAOYSA-N 437.515 4.476 10 20 IICD CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1 920881651 JWNJHXLZFNLJAV-FQEVSTJZSA-N 432.568 4.212 10 20 IICD C[C@H](NC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 920921473 HLEIPERMWZTCJC-IBGZPJMESA-N 432.524 4.271 10 20 IICD Cc1cc(-c2nnc(-c3cccc(S(=O)(=O)NC4CC4)c3)o2)c(C)n1-c1ccccc1 1117186228 XNXKRBMWLSRVKC-UHFFFAOYSA-N 434.521 4.252 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)o1 1317786096 ABHOYHUQALFLSA-HNNXBMFYSA-N 442.899 4.405 10 20 IICD Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 10716143 JHYUAKSNAUXKEA-UHFFFAOYSA-N 429.855 4.442 10 20 IICD CCc1ccc(-c2nc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cs2)cc1 19353279 UOCWVWDLHWRFDF-UHFFFAOYSA-N 437.565 4.254 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(c4nc5ccccc5o4)CC3)CC2)cc1 110426293 JHAXIAUDEHIFSB-UHFFFAOYSA-N 434.540 4.394 10 20 IICD CCOc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(Br)c1OC 208843677 ZJLKGABDZQVSGC-RVDMUPIBSA-N 425.348 4.313 10 20 IICD COc1ccc2oc([C@@H](C)NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)c2c1 303354644 ZEZDEWJXAXCJOZ-MRXNPFEDSA-N 441.503 4.286 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)c2)CC1 303851163 UXTSUZFPGFPDPF-UHFFFAOYSA-N 431.540 4.401 10 20 IICD Cc1cc(-c2nc(-c3ccc(N4CCCC4=O)cc3)no2)ccc1NC(=O)C1=S=CC=C1 544909257 ZRVQAHRVCIELQK-UHFFFAOYSA-N 444.516 4.055 10 20 IICD CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 726189858 BOWNIMYEMDRLSV-UHFFFAOYSA-N 443.563 4.101 10 20 IICD Cc1ccc2ncccc2c1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726601263 MEMVCVYGHHXCGG-UHFFFAOYSA-N 447.507 4.092 10 20 IICD COc1cccc2c1OC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C2 728400206 SURWPLIVTFHVJS-HXUWFJFHSA-N 435.524 4.070 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 730142615 WQKXRAZYLSSKEO-NRFANRHFSA-N 444.620 4.465 10 20 IICD O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCSCC2)cc1 731446045 QHMXZDXFNDPQFW-UHFFFAOYSA-N 431.410 4.166 10 20 IICD O=S(=O)(CCN(Cc1ccccc1O)C1CCCC1)c1ccc(Br)cc1 731847145 DYWDNXHXGLVLLN-UHFFFAOYSA-N 438.387 4.373 10 20 IICD COc1cccc(CNC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1O 732436327 QBDHKFXADQNKBQ-UHFFFAOYSA-N 427.501 4.016 10 20 IICD COc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Br 732881806 JBLFSQDCTHIWKS-CQSZACIVSA-N 434.334 4.177 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2F)C[C@H](C)O1 733133040 GJINECBBOQHXCA-IRXDYDNUSA-N 441.547 4.354 10 20 IICD Cc1ccc(NCCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1 740490970 UHDSHNCVTPYERB-UHFFFAOYSA-N 438.484 4.416 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2cccc(Cl)c2)CCOCC1 740909177 JGRYEDNMCLAHBS-UHFFFAOYSA-N 425.960 4.264 10 20 IICD O=C(/C=C\c1cncc(F)c1)N1CCCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 741936063 DSDMBUCWORTFTM-MKKAVFGOSA-N 446.457 4.251 10 20 IICD CC(C)c1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccccc1F 743338887 LXAWVXXECNZMOG-GOSISDBHSA-N 438.503 4.057 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2nccnc2NC(=O)C(C)(C)C)c1C 745563086 DPKIWIRMRZJDNT-UHFFFAOYSA-N 448.523 4.217 10 20 IICD CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)s1 745807203 AFCAFJUAKNZOBB-KRWDZBQOSA-N 447.624 4.198 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 750861515 PWAYLCHHQSFFBI-GOSISDBHSA-N 434.458 4.198 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1C 753231928 USGKGMGPJOYMKM-LLVKDONJSA-N 437.290 4.141 10 20 IICD COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1F 753858516 VIWAUEMRVZMOSS-UHFFFAOYSA-N 445.844 4.267 10 20 IICD CC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 755046721 UWENXYYXYMHPRW-HKUYNNGSSA-N 447.526 4.067 10 20 IICD CCSc1ccccc1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 755276221 BLMVIQUMCFLFMV-IAGOWNOFSA-N 432.561 4.247 10 20 IICD C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(Br)cc1O 756466298 OFAAUFRPKNIUKI-CYBMUJFWSA-N 441.391 4.082 10 20 IICD C[C@H]1CN(C(=O)c2ccc(CN[C@@H](C)c3cc(Br)ccc3O)cc2)C[C@@H](C)O1 756480287 URRCEXGVLKIDGS-XHSDSOJGSA-N 447.373 4.255 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2cc(Cl)ccc2O)c1 756564441 UCDIUVCOVQYKIT-GFCCVEGCSA-N 441.753 4.287 10 20 IICD Cc1nc(CN2CCC(CN[C@@H](C)c3cc(Br)c(F)cc3O)CC2)oc1C 756568146 CEKWHQABACBLOV-ZDUSSCGKSA-N 440.357 4.461 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(C)noc1C 757009841 GGBNJKFKVPQQSR-SFHVURJKSA-N 440.466 4.097 10 20 IICD COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc(Cl)cc(OC)c1O 761205035 PZWGHEKPPFWAIS-INIZCTEOSA-N 428.710 4.163 10 20 IICD C[C@H](CCc1ccccc1F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765282611 VXRHBTAPUBCPIW-LJQANCHMSA-N 437.538 4.192 10 20 IICD C[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCCCC2)c(F)c1 765284471 BTTICDWTBQHBSP-MSOLQXFVSA-N 433.593 4.478 10 20 IICD C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C)c1ccc(N2CCOCC2)cc1 765330159 LJUWDOKQIFVFLV-RBUKOAKNSA-N 429.992 4.264 10 20 IICD CCN1CCN(c2ccc(CN[C@H](COC)c3cccc(C(F)(F)F)c3)cc2F)CC1 765851977 ICUFTUYGMDSNLD-OAQYLSRUSA-N 439.497 4.464 10 20 IICD CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 768915837 NILOHDBUOOBNTD-OAQYLSRUSA-N 444.959 4.188 10 20 IICD C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773229305 OHLLFUMYOBRRCA-SJORKVTESA-N 445.405 4.402 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(N(C)C)cc1 773849742 ZUDKMBRUHWVUAC-LBPRGKRZSA-N 443.853 4.163 10 20 IICD C[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)c1ccc(N(C)C)cc1 773994867 PKWWFNBATSFDRZ-CABCVRRESA-N 438.597 4.398 10 20 IICD COc1ccc2nc(Cl)c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2c1 775482666 VEYIFDORUIYIQO-OAHLLOKOSA-N 425.916 4.224 10 20 IICD Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c(Br)c1 776748628 USZSRAFSXXUDBZ-UHFFFAOYSA-N 435.137 4.335 10 20 IICD Cc1cc(Br)cc([C@@H](C)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1O 779023834 IYRQTFWGYLZZRI-BZNIZROVSA-N 442.737 4.272 10 20 IICD CCCN1Cc2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2C1 782895764 ISHGRBLXMDZXIY-UHFFFAOYSA-N 435.568 4.418 10 20 IICD Cc1ccc([C@H](CCn2cncn2)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 783221965 JXGFFMRWZMCFLW-SKPFHBQLSA-N 437.563 4.260 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 784029099 XUBYWRUKBLHWTP-UHFFFAOYSA-N 445.519 4.330 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3OCCOC)n2)s1 786874401 OTJVXBACNBIJFW-UHFFFAOYSA-N 442.559 4.399 10 20 IICD CCCn1c(=O)n(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc21 788149930 XPWHFXNPDLEZJH-UHFFFAOYSA-N 434.584 4.252 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1O 791250580 SNNFUBVVNQBWLS-UHFFFAOYSA-N 438.446 4.413 10 20 IICD CCOC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccc(OC)c(Br)c1 792175441 SSLAPMUVNRBNJO-QGZVFWFLSA-N 446.700 4.350 10 20 IICD COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(OC)cc2O)c1 794369072 ASIOAVCXAQODQM-UHFFFAOYSA-N 443.503 4.251 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cs1 797667656 BJUXHMCZEMJQQK-UHFFFAOYSA-N 426.517 4.416 10 20 IICD Cc1cc(-c2nnc(N3CCC(OC[C@H]4CCCCO4)CC3)n2C)c(C)n1-c1ccccc1 800731696 PJYKAAMFQXVLHE-HSZRJFAPSA-N 449.599 4.444 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(Cc2ccccn2)CC1 801826760 OAZBXAOGWSOVLU-UHFFFAOYSA-N 441.583 4.090 10 20 IICD O=C(Cc1ccccc1)N1CCc2ccc(NCc3ccc(N4CCOCC4)c(F)c3)cc21 815157990 ZZWYYXJDONTHJM-UHFFFAOYSA-N 445.538 4.406 10 20 IICD Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)ccc21 906373121 QNMDLOGCCURSPK-UHFFFAOYSA-N 437.502 4.209 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12 915623948 OUGUQXXMGCDESF-UHFFFAOYSA-N 434.540 4.162 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 916503253 JMORWXCGBRDJBS-HXUWFJFHSA-N 445.510 4.055 10 20 IICD CCOc1cc2c(cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)O[C@H](C)C2 916672991 ANPPCBVQMFONPR-VQIMIIECSA-N 426.513 4.327 10 20 IICD CCOc1cc2c(cc1NC(=O)N1CCCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2 918033239 OPXGSZHZPUZPIS-QGZVFWFLSA-N 425.529 4.162 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 918310478 NBSCMTGXPPDDSN-UHFFFAOYSA-N 447.583 4.206 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2COc2ccccc2)cc1 919662511 UPKGGRUAIGRHII-UHFFFAOYSA-N 431.536 4.367 10 20 IICD O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 10926429 XYPDJBHFAXXKNP-UHFFFAOYSA-N 449.802 4.063 10 20 IICD COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 14671565 LMGOPQLHLAFIHO-MOSHPQCFSA-N 444.940 4.230 10 20 IICD O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(N=Nc2ccccc2)cc1 254925205 GMVGCWKUYLQLNZ-UHFFFAOYSA-N 428.408 4.359 10 20 IICD Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)cc1[N+](=O)[O-] 302658978 HWOXXKPKUDLROA-UHFFFAOYSA-N 438.297 4.378 10 20 IICD CC(C)COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccco1 725868556 WRNDFUUNNOQERM-WFXMLNOXSA-N 447.551 4.245 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C2CC2)cc1 726290614 VATPLIBCPXXDMW-UHFFFAOYSA-N 441.531 4.113 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccnc3OCc3ccccc3)CC2)cc1 726694825 JRNHPEFPWNIICQ-UHFFFAOYSA-N 432.524 4.460 10 20 IICD CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 727728999 MVLHXACYOFLREZ-UHFFFAOYSA-N 446.507 4.373 10 20 IICD CSCCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 727946485 GMYVVAJUWGAZPD-UHFFFAOYSA-N 425.598 4.180 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3nc(C)c(C)s3)ccc21 728639878 WKIKHUPCFKPOQR-HNNXBMFYSA-N 429.542 4.162 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 728959146 GFJWNYAHXLGTNR-GOSISDBHSA-N 443.613 4.463 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)c(F)c1 730074088 SWEYHHKWDQHIHB-LLVKDONJSA-N 447.513 4.032 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CC1 731048932 HUWIHJHNJCPGQO-UHFFFAOYSA-N 430.593 4.122 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)cc1 731183837 VWXNHVSRJFKCMO-RRPNLBNLSA-N 443.591 4.280 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 734405016 PIEAYDCBDZXECZ-UHFFFAOYSA-N 425.536 4.298 10 20 IICD C[C@H](Oc1ccccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 734692849 DDKROLUTNHLILS-IBGZPJMESA-N 443.547 4.464 10 20 IICD C[C@@H](OC(=O)[C@@H](C)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 738794019 WVYVVIYIDOOVHE-UONOGXRCSA-N 433.485 4.197 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)on2)NC(=O)OC(C)(C)C)cc1 742754984 TVHQPYFCVSGGKQ-SFHVURJKSA-N 430.549 4.034 10 20 IICD CC(C)N(C)CC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745904098 LPZQCOCGCHTMDD-IBGZPJMESA-N 438.563 4.019 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)cc1 747377100 VVBOMCTWDMOGSM-FGCOXFRFSA-N 435.572 4.492 10 20 IICD Cc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1C(C)C 749502111 SKGDQEYYMOGUJK-GOSISDBHSA-N 433.556 4.027 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc(Br)c3)cc2F)C[C@@H](C)O1 750726669 WLUOVDYWOKKUGF-HUUCEWRRSA-N 435.337 4.061 10 20 IICD COCCCOc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 751010270 JKAWNWIQDKDPLA-ROUUACIJSA-N 445.535 4.176 10 20 IICD O=S(=O)(c1cc(Br)cnc1Cl)N(Cc1ccccc1O)C1CCCC1 751356044 MBWZUOUHKUHULT-UHFFFAOYSA-N 445.766 4.337 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2C)no1 751404501 GRTZTIVKWDNWGI-QFIPXVFZSA-N 436.556 4.278 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCCOc3ccccc3Br)cs2)cc1 751930972 LPXSUSNSUQFOHT-UHFFFAOYSA-N 433.327 4.314 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)C3)c(C)n1-c1ccc(Cl)c(Cl)c1 752302385 KNORQAVMMAALED-UHFFFAOYSA-N 434.367 4.186 10 20 IICD CC[C@@H](N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1 754324986 UOMGEQOJEYUZFP-RDTXWAMCSA-N 433.533 4.295 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(Br)c1 754832646 INFNFOFCBSSOEC-GJZGRUSLSA-N 435.337 4.440 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2ccc(C)c(C)c2O)c1 756563868 PCFQIOHMCFGVOO-HNNXBMFYSA-N 435.362 4.251 10 20 IICD CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1CC 756920203 PVZYMIGFSUHCBK-UHFFFAOYSA-N 449.623 4.433 10 20 IICD C[C@@H](NC(=O)NCCc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1 756933508 RQCZGXDHRMBREL-MRXNPFEDSA-N 437.462 4.025 10 20 IICD C[C@@H](NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 759732661 UATHQNOXNFOBMH-MRXNPFEDSA-N 437.462 4.324 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 760564848 HMJJGNITWRXSHS-DJJJIMSYSA-N 433.451 4.427 10 20 IICD COc1ccc(C[C@@H](C)CN(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 761680380 MWJUUJROFSJZMA-LJQANCHMSA-N 425.573 4.193 10 20 IICD Cc1nc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3O)s2)cs1 766199745 GZNFQASJQKWZLP-UHFFFAOYSA-N 445.385 4.127 10 20 IICD O[C@@H](CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 770306821 QYDXRZUJUHLLSQ-DEOSSOPVSA-N 426.557 4.460 10 20 IICD CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 771060030 SJNFKXKUKUJTPU-OAQYLSRUSA-N 444.959 4.188 10 20 IICD CN1CCN(c2ccc(/C=C(/Cl)c3nc(=O)c4ccc(C(F)(F)F)cc4[nH]3)cc2)CC1 771518640 UNXAVTKDAJXMDZ-LDADJPATSA-N 448.876 4.431 10 20 IICD CCOC(=O)c1csc(=O)n1CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C 771749850 JIZSZQHCYHOQEO-UHFFFAOYSA-N 430.551 4.099 10 20 IICD O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 772774789 KUPFNEKFECRGLE-RQOWECAXSA-N 449.303 4.331 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1O 779012151 LOQZSSNJBBMTIW-LIRRHRJNSA-N 433.346 4.431 10 20 IICD Cn1nc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 779202512 BVVXPXYFVXESMK-VZUCSPMQSA-N 432.727 4.381 10 20 IICD COC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1F 783132831 CZXXMDZWPSXVFX-ZIAGYGMSSA-N 448.470 4.078 10 20 IICD Cc1ccc([C@H](CCn2cncn2)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 783221961 JXGFFMRWZMCFLW-REHUZNOOSA-N 437.563 4.260 10 20 IICD COc1ccc(CNC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c(O)c1 792891674 RHRXXEHNLLTVPA-UHFFFAOYSA-N 434.496 4.353 10 20 IICD C[C@@H](NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1 794836800 PJKRRFSWCWIZMG-GOSISDBHSA-N 433.568 4.270 10 20 IICD O=C(c1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1)N1CCOCC1 796279265 JOBVTDIERWCFAC-UHFFFAOYSA-N 441.575 4.012 10 20 IICD O=C(c1ccccc1Cl)c1cc(Cl)ccc1NCc1nnnn1CC1CCOCC1 799967973 RIZSISATSFWIAG-UHFFFAOYSA-N 446.338 4.250 10 20 IICD CCCCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1O 801596356 WKZSLMRMFBSHJA-NRFANRHFSA-N 426.557 4.375 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCSC2(CCOCC2)C1 802017116 ZGVCPVHCFRYLRM-UHFFFAOYSA-N 437.613 4.475 10 20 IICD CC(=O)NCCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Cc1ccc(C)s1 802652844 LAPVQUMYRZJZQM-UHFFFAOYSA-N 430.574 4.093 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1scc(C)c1C(=O)OC 806717547 KABRHCNQBORLJC-UHFFFAOYSA-N 427.320 4.365 10 20 IICD Cc1cc(C(=O)CN2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccc(OC(F)(F)F)cc1 812860451 QOTORXHRBULSSO-HNNXBMFYSA-N 446.416 4.125 10 20 IICD Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 915849972 JYQWDFHGLWVKKX-YBFXNURJSA-N 449.557 4.193 10 20 IICD CCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1 917714753 OPOLJXPRLGDNLN-HDICACEKSA-N 436.531 4.117 10 20 IICD COc1cc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1OC 918065819 CBJWEDXFGAWNEV-INIZCTEOSA-N 427.545 4.214 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918082094 YVEOFNABYUBUJC-SVMVAKDDSA-N 443.538 4.495 10 20 IICD CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1 918123625 ZOQGVNANDVNWSB-DENIHFKCSA-N 440.563 4.114 10 20 IICD CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918211898 FADYMDWAVFYNIH-QGZVFWFLSA-N 429.536 4.134 10 20 IICD Cc1c(Cl)cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 921117598 UFNJPDVQETUGRN-HNNXBMFYSA-N 435.355 4.325 10 20 IICD COc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1Br 1320349419 GABPRXLJPDTGMH-OAHLLOKOSA-N 435.318 4.376 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F 1321449463 QUUVTCKJOJJUIH-UHFFFAOYSA-N 437.462 4.153 10 20 IICD CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291366 OAMZMVUGTWFIMK-LRDDRELGSA-N 434.924 4.216 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2sccc2F)cc1 1847923194 WFHLNFPYDOWXQM-SFTDATJTSA-N 437.540 4.424 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1csc(-c2ccccn2)n1 237830290 MZRSTPGLZVGYON-UHFFFAOYSA-N 434.487 4.350 10 20 IICD CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 482363924 IEFISDZJMQFTQR-UHFFFAOYSA-N 437.540 4.014 10 20 IICD COc1ccc(Nc2cc(N3CC=C(c4c[nH]c5ncccc45)CC3)ncn2)c(OC)c1 511860247 BXEPNAQSSGTQPN-UHFFFAOYSA-N 428.496 4.407 10 20 IICD COc1c(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cnc2ccccc12 544981176 QMTKZDGURYSFFS-UHFFFAOYSA-N 442.500 4.485 10 20 IICD CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 728958723 BSKUANMDEWPSRL-YLJYHZDGSA-N 440.613 4.061 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2F)C[C@@H](C)O1 729496980 MUBOGXNGYPNGDT-HLIPFELVSA-N 429.511 4.278 10 20 IICD CN(C(=O)c1ccco1)c1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1 731002753 OSBDWRQNAFMBKI-UHFFFAOYSA-N 435.549 4.039 10 20 IICD O=C(CCc1ccc(Br)cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 731855842 CNEKNXLOBKSNNE-SFHVURJKSA-N 436.321 4.434 10 20 IICD Cc1cc(-c2csc(NC(=O)CN(C)C(=O)C3CC3)n2)c(C)n1-c1ccc(F)cc1 733357970 LLCIJJLACBITIJ-UHFFFAOYSA-N 426.517 4.164 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734531607 OESFNJAAGWRTHZ-QGZVFWFLSA-N 436.478 4.038 10 20 IICD CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 735519400 QXPSOSDOVBGYAL-OXQOHEQNSA-N 428.554 4.039 10 20 IICD C[C@@H]1SCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H]1C 735644422 IUDWZYFVQJCBNH-RFLGGOROSA-N 426.654 4.082 10 20 IICD O=C(c1cc(Br)c2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O 735927773 ZVLWSNUFKBOPET-UHFFFAOYSA-N 444.281 4.362 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(-c4nccn4C)c3)cc2F)C[C@@H](C)O1 736974383 XAIHYOKZCKGNBU-IAGOWNOFSA-N 437.519 4.162 10 20 IICD O=C(NCCCc1ccc(Br)cc1F)NCc1ccc(N2CC=CC2)cc1 740918189 YZSPOGMJCHWELM-UHFFFAOYSA-N 432.337 4.396 10 20 IICD CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 742580883 IIBAVBGUIWAYDS-UHFFFAOYSA-N 446.595 4.053 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CCc2cccc(F)c2F)NC(=O)OC(C)(C)C)cc1 742750548 DVPIACQYLJYXJP-HXUWFJFHSA-N 447.526 4.346 10 20 IICD Cc1csc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)n1 743554493 GKHJEDDHQZKPCE-AUSJPIAWSA-N 432.565 4.155 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](Cc4ccccc4)C3)cc2F)C[C@@H](C)O1 743554859 MTPJEPSNWDOLDU-XQBPLPMBSA-N 425.548 4.214 10 20 IICD COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743687310 PYWXZXBQXLCHMH-DLBZAZTESA-N 449.498 4.032 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 743717673 QYSASXOLLDXIFL-UHFFFAOYSA-N 440.503 4.330 10 20 IICD CC(C)Oc1cc(Br)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 744449857 FLULVSNJLSWCQP-UHFFFAOYSA-N 448.361 4.395 10 20 IICD CCN(C)Cc1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745788575 MTHASFFSGBIYFL-HXUWFJFHSA-N 446.542 4.208 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@H](C)CS(C)(=O)=O)n3)c2C)cc1 746881961 UKENDQHGWDJNCQ-CQSZACIVSA-N 431.583 4.145 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1ncccc1C(F)(F)F 747446724 DWAQWNQGZCTZOA-UHFFFAOYSA-N 436.478 4.311 10 20 IICD Cc1ccc(C(C)C)c(OCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 752027019 OJKBNHHTDGVYQM-UHFFFAOYSA-N 428.548 4.304 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CCCCS2(=O)=O)sc(C)c1-c1ccc(C)cc1 753487902 PMIDXZUTWCYWMF-MRXNPFEDSA-N 435.567 4.114 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@H](C)[C@@H]2CCCOC2)sc(C)c1-c1ccccc1 754570894 UJLOAKPWSQZWDI-CRAIPNDOSA-N 430.570 4.243 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 760745419 WEOHUNFEHFEYGH-AREMUKBSSA-N 445.563 4.399 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)c2C)cc1 760991803 NAZUYOYBSFSISM-UHFFFAOYSA-N 445.519 4.394 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1ccc(C(F)(F)F)cn1 761778648 LFYPMSOUVNWKIQ-UHFFFAOYSA-N 436.478 4.311 10 20 IICD CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 764353889 RVOCLEGJDVTAHI-WOJBJXKFSA-N 437.531 4.246 10 20 IICD O=C(CCCc1ccccc1Br)NCc1ccc(N2CCC(CO)CC2)cc1 765595231 HRWWNSHLGIHZOQ-UHFFFAOYSA-N 445.401 4.297 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3cccc(Br)c3O)ccc21 765927566 UAMYLOPCMQTXBZ-UHFFFAOYSA-N 444.329 4.020 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C(C)C 766578845 XGHAJANEAUVMKK-UHFFFAOYSA-N 439.604 4.250 10 20 IICD COc1cc(Br)cc(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1O 769532673 JXFOSNBYYPLBJG-QGZVFWFLSA-N 430.346 4.486 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCSc2ccccc21 769655505 BFOYWXTYOVWTGF-UHFFFAOYSA-N 446.575 4.397 10 20 IICD Cc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1N(C)C(=O)/C=C\c1cncc(F)c1 769731315 RDHKSKNAGJRZOG-OWNHSFIXSA-N 448.473 4.416 10 20 IICD COc1ccc(N2CCCN(C(=O)NCC3(CCOCc4ccccc4)CC3)CC2)cc1 770489544 JFHHYRHTWZKUHA-UHFFFAOYSA-N 437.584 4.304 10 20 IICD O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 772901289 FJOREGPCMKODPC-UHFFFAOYSA-N 445.844 4.063 10 20 IICD CC(C)n1cc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2n1 774119218 ZXGHXGAGLATJIA-UHFFFAOYSA-N 432.480 4.083 10 20 IICD C[C@@H](NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1ccc(N2CCOCC2)cc1 775258496 BXCJLMILBWHDHL-LJQANCHMSA-N 427.564 4.140 10 20 IICD COc1ccc(NC(C)=O)cc1NCc1cc(Br)cc(Br)c1O 775747932 OXWKSAFGAJVVOF-UHFFFAOYSA-N 444.123 4.496 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 779475769 QWUSXBOCIMUXFZ-VOVDEZLQSA-N 437.517 4.364 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1 784555403 FUVWKCNWUFOQSU-UHFFFAOYSA-N 425.510 4.016 10 20 IICD C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccc(N2CCOCC2)cc1 788887839 YVNFUFAXZVHDDI-LBPRGKRZSA-N 433.332 4.009 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3sc(SC(F)F)nc3C)CC2)cc1 793137652 XSIHDVUIVAQSBX-UHFFFAOYSA-N 427.542 4.056 10 20 IICD CSc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 799182957 VIOMMVGRNFDWFN-KSZLIROESA-N 445.604 4.128 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)cc2Cl)C1 800049035 LADBJJWECXOUGR-OXJNMPFZSA-N 425.960 4.062 10 20 IICD Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2cnn(C)c2)c1 801648096 TUROASKHWOVOKG-WOJGMQOQSA-N 429.567 4.242 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 808237293 JUJPLZTWTBANNQ-OAQYLSRUSA-N 449.473 4.469 10 20 IICD CC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C(F)(F)F)cc1O 810238672 SAIZZPZZULHEFN-ZBFHGGJFSA-N 431.252 4.441 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4cccnc4)n3Cc3ccccc3)CC2)cc1 812049811 MYCNIMFVAUIFDL-UHFFFAOYSA-N 440.551 4.114 10 20 IICD O=C1/C(=C\c2cc(Br)c3c(c2)OCCCO3)SC(=S)N1C1CCC1 814185929 RDMLIVRFSJNNOL-NTEUORMPSA-N 426.357 4.364 10 20 IICD C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)NC[C@@H]1CCCO1 814772786 DZORUCWVPNOJEM-DCCLBIMISA-N 432.592 4.289 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 844255560 UJYJGKKAZNJATO-UHFFFAOYSA-N 449.941 4.158 10 20 IICD C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914481957 YZQZQZUVHQRTKD-ZDUSSCGKSA-N 432.407 4.343 10 20 IICD C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458434 IXPOZYYXKQQBRK-INIZCTEOSA-N 438.515 4.480 10 20 IICD CCCCN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1ccc(OC)cc1 917117790 VSADECXQDJPRBB-AZGAKELHSA-N 449.595 4.302 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 918127485 SNDFRWYWNICYKJ-FCHUYYIVSA-N 429.561 4.098 10 20 IICD O=C(NCCc1csc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1 918218966 ZXNXWVJLUOBPLH-UHFFFAOYSA-N 427.545 4.043 10 20 IICD C[C@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccc(N2CCOCC2)cc1 920888552 PLLXKZVANGMZLJ-AWEZNQCLSA-N 428.330 4.258 10 20 IICD O=C(NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1791723522 SUQIQTFVHVUUKI-UHFFFAOYSA-N 445.249 4.331 10 20 IICD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)o1 1824684538 BFGREPROEFXVMG-GOSISDBHSA-N 446.931 4.200 10 20 IICD CCc1noc(C)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398766 AUMMCCBZZWXQNL-UHFFFAOYSA-N 446.551 4.084 10 20 IICD CCN(CC)CCOc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1OC 109779768 POALRDCQUBEWAD-UHFFFAOYSA-N 436.556 4.471 10 20 IICD COc1ccc(N2CCC(NC(=O)COc3ccc(OCc4ccccc4)cc3)CC2)cc1 110356130 JVUZHZJDWKQBHU-UHFFFAOYSA-N 446.547 4.438 10 20 IICD O=C(NCc1ccc(Br)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 195740975 HRDFHPJDWPZKMI-MRXNPFEDSA-N 437.309 4.185 10 20 IICD CCc1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1c(Cl)cccc1Cl 437005770 DKBMUYFNPYFQDT-UHFFFAOYSA-N 446.338 4.242 10 20 IICD COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@@H]2c2c[nH]nc2-c2cccnc2)cc1 594785452 MQOFXLXXDLQMAX-VWLOTQADSA-N 439.519 4.314 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC2(CCC2)c2c(F)cccc21 726234884 NPPBVLIUIBDASQ-UHFFFAOYSA-N 427.495 4.077 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726271343 TYBPPELFKFAULT-OAQYLSRUSA-N 444.620 4.465 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)n2)cc1 727248401 DWJKLUAOPISCDZ-UHFFFAOYSA-N 426.523 4.195 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)c1 729879008 JKKMAKGITKCRHQ-GOSISDBHSA-N 448.519 4.413 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(Br)cc3F)CC2)cc1 732255186 KJNXMLVRWIXQMI-UHFFFAOYSA-N 436.325 4.065 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(OC)ccc3Cl)n2)c1 732910052 KKRWCGAXYYECGJ-UHFFFAOYSA-N 440.930 4.290 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 734524821 CSCCOJQCAHATRK-KRWDZBQOSA-N 445.405 4.149 10 20 IICD O=C(Cc1csc(-c2ccoc2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799181 IBAUYQIBFZWKFX-OAHLLOKOSA-N 433.480 4.332 10 20 IICD CCn1c(SCC(=O)N(Cc2ccco2)Cc2ccccc2O)nnc1-c1ccco1 743429837 AVZBJLVMLSKWOX-UHFFFAOYSA-N 438.509 4.178 10 20 IICD CCc1nc(C(=O)N(CC)Cc2cc(Br)ccc2O)nn1-c1ccccc1F 743809543 WLGUWAZJJGKFKI-UHFFFAOYSA-N 447.308 4.099 10 20 IICD CN(C)Cc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 745904103 LVZXZNOVOLRTTR-HXUWFJFHSA-N 446.542 4.160 10 20 IICD COc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 746216017 MGCQSJWZDUKGHJ-QZTJIDSGSA-N 443.563 4.225 10 20 IICD O=C1CCc2cc(Cl)c(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cc2N1 751356979 YYCPPWYVIQKGLG-UHFFFAOYSA-N 434.945 4.064 10 20 IICD CCOC(=O)c1c(NC(=O)N(C)Cc2ccccc2O)sc(C(=O)N(CC)CC)c1C 752712119 LEOUEKKOOWJMSY-UHFFFAOYSA-N 447.557 4.085 10 20 IICD C[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc(S(=O)(=O)N(C)C)cc1 753550994 LGLJZKLJFHVETB-SFHVURJKSA-N 440.565 4.072 10 20 IICD CCN1CCN(Cc2ccc(CN[C@@H](C)c3ccc(Br)cc3O)cc2)CC1 756432430 ICRIZYLAKDDGCP-KRWDZBQOSA-N 432.406 4.143 10 20 IICD C[C@H]1CN(Cc2cccc(CN[C@@H](C)c3cc(Br)cc(F)c3O)c2)CCO1 756458002 ITWMTZXLYBXCER-GJZGRUSLSA-N 437.353 4.365 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 757054453 ZCLVHAVQDHKTSN-NSHDSACASA-N 447.841 4.297 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)c1ccc(OC)c(Cl)c1 760911912 UBSNFEBLMWRSHQ-UHFFFAOYSA-N 426.694 4.048 10 20 IICD O=C(c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1F)N1CCCC1 763390913 VLFLAZXOKMYVLF-UHFFFAOYSA-N 449.504 4.125 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C[C@H](O)c3ccccc3)c2C)cc1 763722056 GRBDMFGIMZTZAV-RDGATRHJSA-N 434.536 4.067 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 765554137 LWCCAHISPJIPPV-SFHVURJKSA-N 425.520 4.184 10 20 IICD Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)CC2)cc1 765660292 FMXYPCDDCXZPAX-IBGZPJMESA-N 442.003 4.440 10 20 IICD CCOc1cccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1O 769223153 MVHMQTNSUMLHMW-UHFFFAOYSA-N 433.346 4.404 10 20 IICD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1cc(OC)ccc1O 769540922 VIQMWXGCLDNIAE-UHFFFAOYSA-N 427.478 4.003 10 20 IICD C[C@@H](NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)c1ccc(N(C)C)cc1 774946652 DOWRURFRFVMHBN-VXGBXAGGSA-N 426.319 4.253 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 776237919 KDYTUZRQLNLASG-CQSZACIVSA-N 425.533 4.435 10 20 IICD COc1ccc(C[C@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC 781349441 CLXDUZGQILJTFJ-OXJNMPFZSA-N 446.975 4.022 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(-n3cccc3)c2)cc1 782423641 CVSDDMBWURMJPH-UHFFFAOYSA-N 442.519 4.304 10 20 IICD O=C(Nc1cccc(NC(=O)C2CC2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897001 SFAXZISUYWPSCO-UHFFFAOYSA-N 435.524 4.041 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 786874227 KBKBMGHZXMYAEQ-UHFFFAOYSA-N 442.921 4.429 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1nc(-c2cccc(Br)c2)no1 790898894 DIYYCAFGEMEOSP-UHFFFAOYSA-N 445.317 4.327 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2C)c1 796335854 XQFUHBBPWILRQJ-UZLBHIALSA-N 440.531 4.491 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(O)c1 797390221 SILMGSHUPXFSDI-UHFFFAOYSA-N 447.516 4.241 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4ccn(C)c34)cc2Cl)C1 800636010 DDXGXMQUDYQALO-MRXNPFEDSA-N 438.959 4.323 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)nc3Cl)n2)c(F)c1 800926283 NFMUJATZQBNHTH-UHFFFAOYSA-N 440.909 4.065 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccc(OC)cc2)o1 801544792 AQZSVVXDVIUJOW-UHFFFAOYSA-N 427.526 4.372 10 20 IICD CCOC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)CC1 802755638 VAGYZKDNKIJBCG-OAQYLSRUSA-N 449.599 4.394 10 20 IICD CCSc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 804587857 DNQKYRIDBLAKGI-SFHVURJKSA-N 427.614 4.479 10 20 IICD CSCc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 804968655 HUFBVFULHVHJDJ-IRXDYDNUSA-N 431.577 4.302 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cnn(C)c2-c2ccccc2)cc1)C1CCCCC1 806868982 HXECDURSNNZZOS-UHFFFAOYSA-N 445.567 4.111 10 20 IICD CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807245820 HJMOQMZWNPMCAN-AVRDEDQJSA-N 430.589 4.011 10 20 IICD CCN(C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[C@H](C)c1cccnc1 807956382 MVIRLCSQJZMRMQ-ZWKOTPCHSA-N 442.991 4.197 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4c(s3)CCc3ccccc3-4)cc2C[C@H]1C 831884874 UGQQUMJUXVVNSG-CYBMUJFWSA-N 439.562 4.007 10 20 IICD C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 857759056 YSLALRUJWDJPIL-WOJBJXKFSA-N 437.584 4.146 10 20 IICD CCOc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCc1cccnc1 913628017 OHRFPFYSSWCCCH-UHFFFAOYSA-N 447.535 4.030 10 20 IICD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)c1 916144739 WLKPWDQYDUGDAZ-QFIPXVFZSA-N 433.596 4.413 10 20 IICD Cc1cc(C(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)c(C)n1-c1cccc(C(C)C)c1 917075354 LJVCKQWRCNLMDJ-UHFFFAOYSA-N 445.523 4.168 10 20 IICD Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1cccc(OCC(F)(F)F)c1 917192570 VLKXIICCCXGNIO-UHFFFAOYSA-N 435.471 4.437 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c(C)n1-c1cccc(C(C)C)c1 917216777 VLXJOCKWFOWXEO-UHFFFAOYSA-N 432.568 4.154 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)COc1ccccc1F 1116174785 BOSMKASTBDRKKC-CYBMUJFWSA-N 425.298 4.293 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc3nnc(C(F)F)n3c2)c1C 1116304127 ZNPCWXLAGHQISZ-UHFFFAOYSA-N 438.434 4.423 10 20 IICD CCOc1ccc(N2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)cc1 1319843747 YIYQBCBGMCRKEW-UHFFFAOYSA-N 429.446 4.283 10 20 IICD CN1CCN(c2ccc(CNc3ccc(CNC(=O)OC(C)(C)C)cc3)cc2F)CC1 1320472902 QXSIMLITKSFMSA-UHFFFAOYSA-N 428.552 4.214 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2F)C3)cc1 1800514208 ADJMWBMOMUXWDD-QQFNCUIESA-N 446.526 4.194 10 20 IICD CC(=O)N[C@@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)c1cccs1 11942810 HTJLYEKEOAZIHZ-NRFANRHFSA-N 438.549 4.457 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCn3ccc4ccccc43)cc2F)C[C@H](C)O1 108454730 LMYIVFXZUSGMHA-OALUTQOASA-N 438.547 4.284 10 20 IICD CCCc1nc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cs1 110926988 FLGDJLRJAASFDP-UHFFFAOYSA-N 436.445 4.136 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1F 195738793 QTGVKPKGXDGYQE-LJQANCHMSA-N 438.330 4.120 10 20 IICD Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2)n1 303103392 IMJJNIXZDCZVIX-AREMUKBSSA-N 446.595 4.436 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 726270400 XYVCNWNZRPGCAQ-SFHVURJKSA-N 443.544 4.344 10 20 IICD C[C@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 726613130 BWCGLIJFXDPXDK-RVHYNSKXSA-N 444.373 4.202 10 20 IICD Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726632558 ZECDVRSAWBRVNK-UHFFFAOYSA-N 449.454 4.059 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)n2)s1 727245312 HOVUUNMSVBKKCU-UHFFFAOYSA-N 430.580 4.480 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c1 728948131 WUKPSDDJTKAOLG-QRVBRYPASA-N 425.573 4.439 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CC)[C@@H](C)c3ccc(F)cc3)cc2F)CC1 730133457 SVSNAIBWEKFXLZ-SFHVURJKSA-N 430.543 4.399 10 20 IICD FC(F)(F)Cn1c(-c2ccccc2)cnc1SC[C@@H]1CN=C(N2CCOCC2)S1 735416132 VUTGFTYMJHTDSB-HNNXBMFYSA-N 442.532 4.008 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)cc1F 735657741 WMYLIAMDPPVSEG-UHFFFAOYSA-N 426.941 4.049 10 20 IICD CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743529959 BTZXPOGJOCIVGF-KXBFYZLASA-N 446.498 4.276 10 20 IICD O=C(NCc1ccccc1O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 748345351 JWFWCXLQMVAAGR-UHFFFAOYSA-N 426.314 4.149 10 20 IICD Cc1cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c(C)n1-c1cccc(Cl)c1 752331797 BOESDFRAINIPFW-KRWDZBQOSA-N 439.907 4.043 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ccc(N(C)C)cc2)cc1 752514008 GEAWAKHXHWVMJE-UHFFFAOYSA-N 440.547 4.473 10 20 IICD COc1ccccc1[C@@H](N[C@H](C)c1cc(Br)c(F)cc1O)c1nccn1C 756394370 VZSBNVXVZMUMIE-CWTRNNRKSA-N 434.309 4.476 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3ccc(C)cc3O)c2)cc1 756582493 JJJVAEHYYCKFLL-KRWDZBQOSA-N 426.538 4.361 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1C[C@H](O)c1ccco1 758814712 MURNMHRHJGZJOQ-POAQFYNOSA-N 449.498 4.148 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 758969193 KNSAZJQCOKWEHC-UHFFFAOYSA-N 429.520 4.346 10 20 IICD C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 759594211 PWZNVYALFAOFEZ-CGAJTASUSA-N 446.431 4.083 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)n1 760069134 RLGUPIBZFIPKQC-UHFFFAOYSA-N 434.540 4.489 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(OC)cc1 765280289 JJWDKUZUZSLRRH-HSZRJFAPSA-N 435.547 4.192 10 20 IICD C[C@H](N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 765330156 LJUWDOKQIFVFLV-MOPGFXCFSA-N 429.992 4.264 10 20 IICD CCOC(=O)CNC(=O)C1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 772410323 FBLMJJDEYLYRRF-UHFFFAOYSA-N 437.500 4.025 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772588071 AEPLUBDHRLFKOP-KSEOMHKRSA-N 445.485 4.070 10 20 IICD Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cccc1C(=O)Nc1ccccc1 773855153 FJZXKZKDDGCPJM-GOSISDBHSA-N 444.535 4.129 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1F 775052098 SLSSFIBZXCMYGG-UHFFFAOYSA-N 440.905 4.498 10 20 IICD CC[C@H](C)n1nc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C 776028190 NFOFVLKPSSDSMX-AWEZNQCLSA-N 439.482 4.340 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Br)c(OC)cc2OC)c1 779506188 VCXOBDYBZUDKIH-SNVBAGLBSA-N 425.279 4.063 10 20 IICD CCOc1cc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1O 780952888 BHPNRNCVUVYSEA-HMPQKADESA-N 432.467 4.191 10 20 IICD COc1ccc(Nc2cc(N[C@H](C)c3ccc(N4CCOCC4)cc3)ncn2)c(OC)c1 781386665 JIDMSJPLTVLGSJ-QGZVFWFLSA-N 435.528 4.247 10 20 IICD Cc1nc(-c2ccccc2NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)no1 782897004 SFPRVRKZNWNHSW-UHFFFAOYSA-N 434.496 4.051 10 20 IICD Cc1ccc(Cn2nccc2NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)s1 784108703 KKJIHFNCZQNLCX-UHFFFAOYSA-N 437.569 4.045 10 20 IICD Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)c1 785295543 VREQFDDSHCHRDG-QGZVFWFLSA-N 434.492 4.193 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(-c2cccc(Cl)c2)on1 786047020 URSVWEIGLPWGRJ-UHFFFAOYSA-N 430.867 4.292 10 20 IICD CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 787507966 PXWFLKWPSUMDQV-AWEZNQCLSA-N 448.488 4.058 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(OC(F)F)c1 788821874 XLIKCXTWNKIAAC-UHFFFAOYSA-N 431.483 4.081 10 20 IICD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)sc2C1 789378953 UGHQFNRPTLPVDC-MRXNPFEDSA-N 428.602 4.149 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(OC(F)F)c(F)c3)n2)c1 790477584 GOZDZALWTRPAIY-UHFFFAOYSA-N 445.400 4.260 10 20 IICD CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1cccc(OC)c1O 793690237 SQWDYVNVMQUBIH-UHFFFAOYSA-N 431.286 4.311 10 20 IICD Cc1oc2c(CN3C[C@@H](C)O[C@]4(CCCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 794890376 OHYSYMCXBNLNLT-WGDIFIGCSA-N 435.520 4.244 10 20 IICD C[C@@H](NCc1cnn2ccccc12)c1cc(Br)cc(Br)c1O 797057111 LGWPUQZGDZOMCA-SNVBAGLBSA-N 425.124 4.416 10 20 IICD COc1cc(Br)cc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1O 799739053 PKKMVVGUAUVLQJ-AWEZNQCLSA-N 443.382 4.290 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C3(S(=O)(=O)c4ccccc4)CC3)cc2Cl)C1 800050417 WCABXGSJVKKKFM-KRWDZBQOSA-N 447.000 4.199 10 20 IICD Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2C)c1 800763211 RVBRHRCNLKHYTD-UHFFFAOYSA-N 449.599 4.299 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 801633448 UMRKNFFQDHCFKS-UHFFFAOYSA-N 445.585 4.284 10 20 IICD COc1cc(O)c(CNC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1OC 809693804 DRBINMWRFFCBEW-IBGZPJMESA-N 428.529 4.034 10 20 IICD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 914485804 ZRAXXFCZMHCYMK-SFHVURJKSA-N 425.598 4.312 10 20 IICD COc1ccc(C)cc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914510685 KYBRCHXFLIPBRH-PDGQHHTCSA-N 446.619 4.363 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1C 914871979 CENJUDPEYNHXJK-UHFFFAOYSA-N 430.551 4.043 10 20 IICD CC(C)NS(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 915329014 ZXXORRAAHDPBBD-UHFFFAOYSA-N 444.601 4.028 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2cccs2)on1 916457655 LFEQSSNPGUKACV-UHFFFAOYSA-N 437.443 4.189 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1csc(Br)c1 916624481 BCRVEULLOPNWBD-UHFFFAOYSA-N 426.405 4.063 10 20 IICD C[C@H]1CCc2c(sc3ncnc(NCc4ccc(N5CCC[C@@H](C(N)=O)C5)cc4)c23)C1 917391125 MMJZVEPHMITYSJ-DOTOQJQBSA-N 435.597 4.130 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)sc2C)cc1 917850519 KYGKNZKOWJTWKB-UHFFFAOYSA-N 427.551 4.120 10 20 IICD CCCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)[C@@H]1CCc2ccccc2C1 919951932 WZPRXMZAGBTAPJ-AREMUKBSSA-N 436.596 4.197 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1323241305 ULXQYSYQKKEFTK-UHFFFAOYSA-N 439.519 4.403 10 20 IICD C[C@@H]1C[C@@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830223258 HJUPBVAIQMCRGF-CGROQTEOSA-N 434.964 4.031 10 20 IICD O=C(COC(=O)c1ccc(Cl)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 18807384 XDOOZUGMEORSHU-UHFFFAOYSA-N 437.810 4.050 10 20 IICD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 23744705 DVLUQLWQFBPRHR-BGYRXZFFSA-N 437.584 4.193 10 20 IICD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 108289081 KJLLFBNOADUUQQ-SFHVURJKSA-N 427.570 4.102 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1 108433227 HKKZHULVLFTHQW-UHFFFAOYSA-N 438.959 4.254 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)N3CCc4sccc4C3)ccc21 482709928 XGKLEBLGJYYKMO-MRXNPFEDSA-N 425.598 4.143 10 20 IICD Cc1c(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 515902013 SALPYRKJNLVUAI-HNNXBMFYSA-N 431.458 4.341 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCC(=O)Nc3cccc4cccnc34)c2C)cc1 725718571 CYDNIHOIRXEXTR-UHFFFAOYSA-N 428.492 4.019 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(COc4ccc(F)cc4)n3)CC2)cc1 726563179 ZERPYGJXAZPYEZ-UHFFFAOYSA-N 441.528 4.269 10 20 IICD C[C@@H](NCc1nc(N(C)C)n(-c2ccccc2)c1Cl)c1ccc(N2CCOCC2)cc1 727644936 RDBCYRBAMNRNLG-GOSISDBHSA-N 439.991 4.279 10 20 IICD CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 733924343 GFVQXVJPVAGZCW-NRFANRHFSA-N 439.579 4.165 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 734701584 GYBGMIIDAUNIQI-UHFFFAOYSA-N 429.948 4.291 10 20 IICD CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 735519399 QXPSOSDOVBGYAL-OXJNMPFZSA-N 428.554 4.039 10 20 IICD CCc1cnc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 742804903 JZVNYQISPAPWFZ-NTEUORMPSA-N 437.637 4.065 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 745494995 CIXHIVNMZWCZRH-HOTGVXAUSA-N 426.399 4.054 10 20 IICD Cc1cc(C(=O)Nc2cccnc2-n2cncn2)c(C)n1-c1cccc(Br)c1 748728526 RSMNEQJXTYASSC-UHFFFAOYSA-N 437.301 4.085 10 20 IICD COC(=O)c1cc2c(CNCc3ccc(N4CCSCC4)cc3)ccc(OC)c2o1 749110137 ZSYOUDUNXCXJOV-UHFFFAOYSA-N 426.538 4.071 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c(C)o1 754693878 KMBCDIACMOKJLA-UHFFFAOYSA-N 426.903 4.261 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccccc2I)cc1Cl 757858039 WNGAWNLAVWFQCN-UHFFFAOYSA-N 430.673 4.028 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNc2ccc(CN3C(=O)CNC3=O)cc2)cc1 757887179 BTRZRIUPRILHLY-UHFFFAOYSA-N 428.536 4.377 10 20 IICD Cc1cc(C(=O)COC(=O)c2nc(Cl)ccc2F)c(C)n1-c1ccc2c(c1)OCCO2 758898508 YMHKBIIPLMIYCM-UHFFFAOYSA-N 444.846 4.093 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnc(Cl)c(Br)c3C)CC2)cc1 760067226 ZTTXKUXABZSHEQ-UHFFFAOYSA-N 439.741 4.169 10 20 IICD Brc1ccc(CN2CCC(NCc3ccc(N4CCOCC4)cc3)CC2)cc1 761994252 ZNUFXHHGRFGTLV-UHFFFAOYSA-N 444.417 4.040 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 763936330 CMZLGPUIKFDMPK-HUUCEWRRSA-N 447.532 4.390 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 766668468 JSALZXWOVXDACT-JOCHJYFZSA-N 430.464 4.346 10 20 IICD Cc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Br 769247903 JTHBVPPCVNTQGZ-UHFFFAOYSA-N 432.362 4.288 10 20 IICD Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccccc1Br 769343891 LVOKHWCGGHAJDT-MOPGFXCFSA-N 435.387 4.203 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773625154 PTOZFLWZAVAXNO-YWZLYKJASA-N 432.362 4.359 10 20 IICD Cc1ccccc1-c1nc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 773791479 GXWUUQZGLOZAPQ-LJQANCHMSA-N 448.592 4.059 10 20 IICD CCC[C@]1(COC)CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 774691903 FMOBUQFAWATANK-OAQYLSRUSA-N 443.510 4.033 10 20 IICD OC[C@@H]1c2ccccc2CCN1Cc1cc(Br)cc(Br)c1O 775700214 IWPFDFXFPHJQMV-MRXNPFEDSA-N 427.136 4.009 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@@H](Oc1ccccc1Br)c1ccccc1 778920059 VALPIIUFGBAMJK-FQEVSTJZSA-N 428.282 4.297 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](OC)c3ccccc3Cl)CC2)cc1 779341311 OOLVZFGKZSFSFC-OPAMFIHVSA-N 431.964 4.393 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N)cc1 783485239 IDPCSKXBHPYIAL-SFHVURJKSA-N 442.519 4.129 10 20 IICD Cc1nc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc2)n[nH]1 783486244 OAMXEQHYRQLCPG-INIZCTEOSA-N 440.507 4.095 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N2CCNC2=O)cc1 786820920 IHPSATOBIIKDLU-INIZCTEOSA-N 430.499 4.137 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 787290408 XXXQKBSZUWZFQV-UHFFFAOYSA-N 447.535 4.251 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCS(=O)(=O)c1ccc(F)cc1 790311406 LEIQXYQYCLJYCT-UHFFFAOYSA-N 448.541 4.046 10 20 IICD C[C@H]1CCCN(c2ccc(CNc3ncnc4c3cnn4-c3ncccn3)cc2Cl)C1 800141493 BEBYVHGFAVMZPL-HNNXBMFYSA-N 434.935 4.107 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccnn1Cc1cccc(OC)c1OC 801728381 PBEWZXFHTKVMKM-UHFFFAOYSA-N 438.528 4.488 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 806637302 BYTOTRINQPETRS-UHFFFAOYSA-N 446.569 4.312 10 20 IICD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 807002788 PUVCZTJFHPSRGO-AWEZNQCLSA-N 445.445 4.062 10 20 IICD CNC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1Br 809079049 ASDZLTWOXBTRIE-UHFFFAOYSA-N 426.314 4.469 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1 812876301 CMNBXNPYJIVXJL-VWLOTQADSA-N 437.584 4.341 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1ccccc1[N+](=O)[O-] 913362053 SKNCSLQRAUJECJ-LFIBNONCSA-N 448.547 4.381 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3cccc(NC(C)=O)c3)C1=O)O[C@@H](C)C2 913517356 RQFWWZFJYRTZLA-QDBSGRMGSA-N 440.546 4.383 10 20 IICD COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C 914613498 BTSHCKFDXBEPSW-HNNXBMFYSA-N 427.888 4.335 10 20 IICD CCOC(=O)N[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1 917460507 FNBOZHVJPSAHRT-GOSISDBHSA-N 436.508 4.185 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)n2)cc1 917872313 ICPXBVBDULIXMT-UHFFFAOYSA-N 425.488 4.380 10 20 IICD CCCCOc1ccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 918007571 JVGXWVCLCVWTFW-UHFFFAOYSA-N 441.572 4.305 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccccc1OCC(F)(F)F 918130601 FGUISZVJEHFWCE-UHFFFAOYSA-N 439.503 4.180 10 20 IICD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1csc2ccccc12 919699255 HDTHFIMSVAWWDB-UHFFFAOYSA-N 447.539 4.087 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(c2ccc3cccc(O)c3n2)CC1 921059758 DYTDCRDPFMTRPP-UHFFFAOYSA-N 430.552 4.073 10 20 IICD Cc1nc(N2CCOCC2)sc1-c1nnc(-c2sccc2-n2c(C)ccc2C)o1 1326514456 PUANAUDIPGOHSZ-UHFFFAOYSA-N 427.555 4.474 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CC2(F)F)C3)cc1 1800514313 MRUFVGKOEISRCC-GFOJFJKKSA-N 427.495 4.001 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O 216477988 NSWJMEWEYSPOMH-OAQYLSRUSA-N 445.563 4.431 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C 261484047 YXBFOVGEGCEHNO-HSZRJFAPSA-N 443.563 4.297 10 20 IICD Cc1cc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)ccc1NC(=O)C1=S=CC=C1 546516824 KJNKWKMLASGUGS-UHFFFAOYSA-N 432.505 4.254 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)SC2=S)cc1 726626824 GYCFHWOSJJOYRB-YRNVUSSQSA-N 425.354 4.015 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CCN3)c(C)n1-c1cccc(F)c1 729721939 ZMDYWJZWXUSRNR-UHFFFAOYSA-N 435.455 4.027 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3C(F)(F)F)cc2F)CC1 730383802 QCZHHJBGKKWVIP-UHFFFAOYSA-N 442.432 4.447 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 737118064 YTVFWMLYPIHGBA-UHFFFAOYSA-N 436.556 4.470 10 20 IICD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737291240 XRBBLEVJUBKUNH-UHFFFAOYSA-N 443.442 4.281 10 20 IICD O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 738461080 UODRSDWBAOCBLO-FQEVSTJZSA-N 441.572 4.183 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 741096713 CPWSYOMMUJIYRS-UHFFFAOYSA-N 448.910 4.158 10 20 IICD COc1c(F)cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 743117232 YNOOJAIIURRSRF-LBPRGKRZSA-N 427.398 4.365 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1)C1CCCCC1 743422041 YRKYRXRMAWVWHI-UHFFFAOYSA-N 444.919 4.272 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCN(c2ccccc2)CC1 745903523 JUMIQNNETKVIQH-LJQANCHMSA-N 444.526 4.179 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2F)CC1 747390394 VLJWHAOHDSZJRT-UHFFFAOYSA-N 446.477 4.034 10 20 IICD CC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl 748983994 YOKMFIPCAJQTMU-FQEVSTJZSA-N 431.964 4.176 10 20 IICD CCc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 751082808 KAGSHKMSBMAZGO-UHFFFAOYSA-N 427.564 4.126 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1Cl 751120076 BJNMVNZOXPYONM-HNNXBMFYSA-N 430.353 4.377 10 20 IICD Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 752003744 CGXWLHQTLSGPHV-BBWFWOEESA-N 444.507 4.216 10 20 IICD COC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCCCO2)C1 752842287 ARQUBVDLTGLDSU-GMAHTHKFSA-N 449.599 4.394 10 20 IICD CC(C)CCn1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C(C)C 753323134 ZOLDVJIQFVYBBD-UHFFFAOYSA-N 445.583 4.475 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1 755784958 JJHRBIAWWOQSNC-ZDUSSCGKSA-N 430.302 4.148 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H](c2ccc(F)cc2)C1 755864758 ZUZZSYHNWAXEKG-HNNXBMFYSA-N 446.525 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1-c1cnn(C)c1 759619084 PVHBJOYIOPQOCL-UHFFFAOYSA-N 443.345 4.287 10 20 IICD COc1ccc(N(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1OC 761222190 NPPMXODBTNWVBK-UHFFFAOYSA-N 430.379 4.198 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3ccc(F)cc3F)no2)c1)c1cccs1 761633806 UEUBIIPRYYPMPN-UHFFFAOYSA-N 449.460 4.174 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc([C@@H]4CC(=O)N(c5ccccc5)C4)no3)ccc21 762152146 SGBKCIJNPBJESG-LJQANCHMSA-N 430.508 4.475 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)n1-c1ccc(C(C)C)cc1 764074971 LSQWSKJLFXIQOP-RXFWQSSRSA-N 436.644 4.316 10 20 IICD C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119196 HIDMICWPAJZNHQ-KKSFZXQISA-N 431.939 4.162 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(OC(C)C)cc3)n2)c1 773366446 XOSSWJFNDCVWCW-UHFFFAOYSA-N 434.539 4.415 10 20 IICD C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(N(C)C)cc1 773990157 SXQTWKWZQHVLCR-MRXNPFEDSA-N 441.528 4.184 10 20 IICD COc1nc(C)c(Br)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 776859432 CEDKZWSTFJDBGU-UHFFFAOYSA-N 438.285 4.123 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Cl)cc(C(F)(F)F)c1 778870203 HTWDICYFPGWEIM-UHFFFAOYSA-N 426.866 4.498 10 20 IICD CC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc2C1 779016767 GMASZSIPZZFXAK-QHCPKHFHSA-N 447.501 4.125 10 20 IICD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1ccc(N2CCCC2)cc1 780364462 DZEYNMIVJHBDOV-VWLOTQADSA-N 443.547 4.170 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783485099 GHGWQDLMZBSVLA-LJQANCHMSA-N 439.519 4.496 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@@H](C)C[S@](C)=O 784516317 IRMOPRWHQRHHAF-OGXVJNQGSA-N 441.519 4.248 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(-c4cc(F)ccc4C)s3)CC2)cc1 791904325 MPAWJKVDONQJQE-UHFFFAOYSA-N 441.532 4.405 10 20 IICD CCN1CCN(c2ccc(CNCc3c(Cl)nc4cc(Cl)ccn34)cc2F)CC1 796287631 MVAKAMBEOYZELV-UHFFFAOYSA-N 436.362 4.212 10 20 IICD CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 799187457 TUDPTHCDOABDPR-UHFFFAOYSA-N 427.551 4.366 10 20 IICD COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1F 800637021 SFQQBNXSRZWWJV-AWEZNQCLSA-N 447.938 4.287 10 20 IICD O=C(CN1C(=O)c2ccc(F)cc2S1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1 801662093 BQYIFWDQEMCKQL-UHFFFAOYSA-N 438.440 4.024 10 20 IICD CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801918259 HPUKEBIHYWOWAY-MRXNPFEDSA-N 443.498 4.051 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 801946941 QRFCJZACVXOESZ-CLOONOSVSA-N 435.572 4.147 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1Oc1ccccc1 804132038 QVFQOZSLLLEZPQ-FQEVSTJZSA-N 441.531 4.349 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2csc(-c3ccccc3)n2)cc1F 806892349 FCIDZQUHFVUYED-UHFFFAOYSA-N 426.517 4.050 10 20 IICD C[C@H](NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc(N(C)C)cc1 807673439 SUIKYDAIJSJVFI-YCRPNKLZSA-N 439.606 4.227 10 20 IICD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807675462 XWXFURMTNVQYLD-MRXNPFEDSA-N 435.490 4.386 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(OC)c1 914084152 VHCATKKGRKCKNI-SFQUDFHCSA-N 448.591 4.385 10 20 IICD Cc1cc(C(=O)Cn2cnc3ncccc3c2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 914684758 IMUOPNUYSNEFIK-UHFFFAOYSA-N 427.291 4.389 10 20 IICD CCOc1ccccc1OCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917712362 XOVOQUJCHYFRPF-KDURUIRLSA-N 444.547 4.313 10 20 IICD CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918219270 HITNMFWJEFPLGI-UHFFFAOYSA-N 440.346 4.435 10 20 IICD CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCCC4)c3)cc2)CC1 919823578 MLPUPXHZERZKTE-UHFFFAOYSA-N 441.597 4.350 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1C 919994733 YQOLPQFJZVWUIS-XMMPIXPASA-N 430.552 4.105 10 20 IICD C[C@H](NC(=O)NCCc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920866682 JTNILMAEWHJXPB-NRFANRHFSA-N 436.600 4.116 10 20 IICD CCc1nc2ccccc2n1C1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 1323761152 PLKNOYGSEROUPU-UHFFFAOYSA-N 435.591 4.327 10 20 IICD CO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1822454881 PSYGRFXWGPKRTM-XMSQKQJNSA-N 449.555 4.158 10 20 IICD Cc1occc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1825909807 WCHWWIHQTGWMPQ-LJQANCHMSA-N 446.931 4.200 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739457 JCRCHTKWERYFAX-ZTNFWEORSA-N 448.991 4.421 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1 95471742 IRRPTVUNLIFVDA-CPNJWEJPSA-N 443.546 4.340 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3SC(F)F)cc2F)C[C@@H](C)O1 108453541 KBAOIRDADVRDJK-BETUJISGSA-N 425.476 4.079 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 729036973 MWABCSUJWXRMEX-ZDUSSCGKSA-N 439.434 4.139 10 20 IICD CC(C)(C)OC(=O)NC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 732230711 OHODFDILUXXAGO-NRFANRHFSA-N 435.584 4.226 10 20 IICD O=C(COC(=O)c1cc(O)cs1)Nc1ccc(Oc2ccc(Br)cc2)nc1 732353752 UQIIRDZRRWSDGW-UHFFFAOYSA-N 449.282 4.199 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)nc1 733665766 SDVCWNVXOIKUJU-UHFFFAOYSA-N 444.535 4.378 10 20 IICD CN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCc2ccccc2C1 734069608 RTORUEJOPCNMGS-NRFANRHFSA-N 429.511 4.456 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2F)C[C@@H](C)O1 734857463 GXBQYICJHWZXOF-FKEXNYPISA-N 433.474 4.073 10 20 IICD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 735927405 RNTBURFYJOOHKY-UHFFFAOYSA-N 448.548 4.460 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c1O 737285134 ZSUYONSMLVFPGT-UHFFFAOYSA-N 442.924 4.460 10 20 IICD Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 738461158 VIQHOBNCKZKXSG-CQSZACIVSA-N 441.519 4.342 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2F)C[C@@H](C)O1 739522955 JXYLUFCWXQDJAK-HUUCEWRRSA-N 429.923 4.433 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4onc(C)c4c3)c2C)cc1 740950106 MYFGVDGVIHUNSR-UHFFFAOYSA-N 433.464 4.377 10 20 IICD Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)n[nH]1 743144182 XJVSKEBKZDNWJF-QGZVFWFLSA-N 442.470 4.172 10 20 IICD COc1ccc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c(OC)c1OC 743284424 MHOQYEMPVKDDOJ-NFBGKYEXSA-N 441.574 4.471 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1c(F)cc(F)cc1F)c2[N+](=O)[O-] 744373932 JIJYXHQOQMHBKU-UHFFFAOYSA-N 426.306 4.040 10 20 IICD COc1ccccc1C(C)(C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 745187655 ZQSWLQGQNMFQRJ-QZTJIDSGSA-N 443.563 4.225 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(NC(C)=O)c2)C1=O 748848817 JVPLJUANAWUKIR-ZDLGFXPLSA-N 443.506 4.358 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1OC 749905420 FPIBIOSABJLXQW-UHFFFAOYSA-N 425.510 4.093 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1 750850693 AAOGYYLVJCYKJS-UHFFFAOYSA-N 442.673 4.424 10 20 IICD NC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(Cl)c1 752140640 FBTVCZXLAUGOCV-HXUWFJFHSA-N 449.898 4.427 10 20 IICD O=C(Cc1ccc(Br)c(F)c1)Nc1c(-c2ccccn2)nc2ccccn12 752815063 MEOOILDSPBINHE-UHFFFAOYSA-N 425.261 4.479 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c[nH]1 753139329 SMWDIHGPSNUHFC-NTUHNPAUSA-N 428.413 4.106 10 20 IICD CN(C)c1ccc(CN(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 753353963 CQOYWBKCDVCSET-UHFFFAOYSA-N 444.620 4.464 10 20 IICD COc1ccc(N2CCN(C(=O)NCc3ccnc(Oc4ccccc4)c3)CC2)cc1F 753846868 KLYBNYXDIKVPGQ-UHFFFAOYSA-N 436.487 4.053 10 20 IICD C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)cc(F)c1O 756456361 GRTWGVXKVOSQDV-CQSZACIVSA-N 437.353 4.353 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 758738138 AZZOXRCZUMASFM-QUCCMNQESA-N 449.498 4.148 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Oc1cccc2c1OCCO2 760737254 MUIIGWBXALUGQR-FOWTUZBSSA-N 447.559 4.106 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1csc(-c2ccccc2)n1 760929091 PCQPKGGOOKWTTN-UHFFFAOYSA-N 427.913 4.176 10 20 IICD COc1ccc(N(CCCS(=O)(=O)c2ccccc2OC)Cc2ccco2)cc1F 766824403 WDIUXJRLZUMUMT-UHFFFAOYSA-N 433.501 4.307 10 20 IICD Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 769872820 FORAFTSXLBUHLN-XMSQKQJNSA-N 427.976 4.354 10 20 IICD Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccccc2)n1 772269138 LEHYIMVWXOMIRA-KRWDZBQOSA-N 426.467 4.087 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)c(Cl)cc1O 774150626 NDKRRXVEALXLNL-ZDUSSCGKSA-N 429.369 4.334 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccccc3Oc3ccccc3)nc12 775331762 KZFAXZIRDOCSSN-MRXNPFEDSA-N 432.480 4.255 10 20 IICD CC(C)(C)OC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 775727138 KFAYNVZWIAYPRZ-UHFFFAOYSA-N 441.597 4.195 10 20 IICD COc1ccc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(F)(F)F)cc1 776000654 YTJKDYIOBURCLU-UYAOXDASSA-N 438.446 4.395 10 20 IICD CN(C)c1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F 780519582 JZTXMWARQQMVBB-UHFFFAOYSA-N 425.410 4.095 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 783315289 CNBDCQFMWQEKBG-UHFFFAOYSA-N 427.520 4.199 10 20 IICD COc1cc(OC)c(OC)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783486636 QMHCJNWRRZDDEY-INIZCTEOSA-N 449.507 4.028 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(OC)cc1Cl 784058954 DHXRBASKXRYOIF-UHFFFAOYSA-N 431.920 4.244 10 20 IICD COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1 784508467 WSVNGFJZZRIBRC-UHFFFAOYSA-N 433.420 4.390 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(N(C)C)cc1 785682658 RMIMHHIUSQEXTR-HNNXBMFYSA-N 448.548 4.116 10 20 IICD Cc1ccc(Br)nc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 786631134 GWZTUQZRIBMXTQ-CYBMUJFWSA-N 440.288 4.153 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 793574016 GYEICLNTKSLQQE-IRXDYDNUSA-N 437.005 4.382 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1I 794018639 YAKOSIYZRFODNB-UHFFFAOYSA-N 446.291 4.117 10 20 IICD COc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 796393378 ZOZYXLJNVSLYEE-UHFFFAOYSA-N 443.613 4.472 10 20 IICD CC1=C(Br)CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 797432703 OIRZCSBTPQBEBS-HUUCEWRRSA-N 440.357 4.024 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc([S@@](C)=O)cc3)c2C)cc1F 797917783 DFFCCUQJIRRQDC-WJOKGBTCSA-N 441.524 4.248 10 20 IICD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 799471752 GVTRJZPMABVSPL-QGZVFWFLSA-N 432.590 4.022 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)cc1Br 806738457 DYYFTQNPLWJQQY-UHFFFAOYSA-N 444.329 4.242 10 20 IICD Cc1csc([C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C2CC2)n1 807627214 NLDHIKAODNYBHV-HXUWFJFHSA-N 427.570 4.086 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(C(=O)OCc4ccccc4)cc3)cc2)CC1 810167170 BMAHQTMBPNYJAM-UHFFFAOYSA-N 429.564 4.085 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1csc(-c2ccccc2F)n1 812718204 IGBZQTZCTRHXFE-MRXNPFEDSA-N 445.585 4.035 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cnn(-c4ccccc4)c3)SC2=S)cc1 814274711 YCQDWDIMHLICDG-XDHOZWIPSA-N 435.530 4.455 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCCn1cncn1 916376084 AOSXXWKRRDLGLG-LJQANCHMSA-N 446.477 4.163 10 20 IICD COCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)oc2ccccc12 916456656 LBTFITLKSYSPQH-UHFFFAOYSA-N 448.441 4.365 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916502385 BLFMHZFKMLHGRR-UHFFFAOYSA-N 434.506 4.479 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)cc1C 917844701 BUGCTFWAOSPHBE-UHFFFAOYSA-N 431.514 4.252 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 917846442 QQPURVXWGNXERH-UHFFFAOYSA-N 441.578 4.192 10 20 IICD CCCCc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919698978 DXYICFIITRKVTH-UHFFFAOYSA-N 447.558 4.215 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(OCC(F)(F)F)cc1 919895700 UHKQSBQKBABSER-UHFFFAOYSA-N 433.474 4.412 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(OC[C@@H]2CCCO2)c1 919904956 RYGDNIGKPYPBMR-NRFANRHFSA-N 441.597 4.428 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971155 RSVIBCBKPJDNDN-UHFFFAOYSA-N 443.519 4.288 10 20 IICD COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)c2ccc(OC)c(OC)c2)cc1 920418762 CQQWOLPSNHOFEL-UHFFFAOYSA-N 449.507 4.040 10 20 IICD NC(=O)CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 1318434809 QHYPACDCYUWHHX-JOCHJYFZSA-N 441.491 4.264 10 20 IICD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1Cl 1792733191 OVWKRJISGXNSND-MUJYYYPQSA-N 449.334 4.279 10 20 IICD CC(C)[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccc2c(c1)OCCO2 10196974 DSLWCPBPRNNJDC-HSZRJFAPSA-N 437.565 4.464 10 20 IICD CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 13362900 QHKMEXZBKRRANW-UVTDQMKNSA-N 444.372 4.304 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 69436527 ISAJNZWPYPREHH-HXUWFJFHSA-N 439.581 4.008 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1 195547065 ZMAUBESCQCHXFA-UHFFFAOYSA-N 436.556 4.112 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1F 195568391 NZSJRJAZOKHOIV-UHFFFAOYSA-N 428.894 4.421 10 20 IICD COc1ccc(N2CCCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)cc1 301372371 QCMXJZPBVVACIC-UHFFFAOYSA-N 429.446 4.283 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1Br 726565592 DNYHAWOLQMQILZ-UHFFFAOYSA-N 425.273 4.449 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cccc1OCC(F)(F)F 727937588 GTAIIEZOGVAXCV-UHFFFAOYSA-N 441.425 4.234 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4c(C)c(C)nn(C)c4=O)n3)c2C)cc1 728163082 OICCPWUBCUQPOB-UHFFFAOYSA-N 447.564 4.489 10 20 IICD CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)S(=O)(=O)c1ccc(C)cc1 728763708 YOFLITKZUWTLSQ-UHFFFAOYSA-N 428.554 4.064 10 20 IICD CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 728959662 IQZYYKZHYLAZOC-MRXNPFEDSA-N 431.577 4.459 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2ccc3nnc(-c4ccccc4)n3n2)C1 732048610 AEEAAPYXXGXYTR-IBGZPJMESA-N 434.931 4.227 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](CNC(=O)C(C)(C)C)C3)c2C)cc1 732966525 LVZOJOUUVYTTKG-LJQANCHMSA-N 425.573 4.117 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc21 734135138 JTXVXFNFPNIILK-IBGZPJMESA-N 429.561 4.034 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 734402684 ONNAHGUVVHZYKA-UHFFFAOYSA-N 427.599 4.124 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@@H]3c3ccco3)cc2F)C[C@@H](C)O1 736622672 ANIPPFLZWISCDL-DNVFCKCGSA-N 443.563 4.266 10 20 IICD Cc1cc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 741595906 AUBBKQDUQCVTLV-RTWAWAEBSA-N 437.005 4.104 10 20 IICD CS(=O)(=O)c1cccc([C@H](NCc2cc3c(cc2O)OCO3)c2ccc(Cl)cc2)c1 742388027 OBBLCPSUVZZJRU-JOCHJYFZSA-N 445.924 4.057 10 20 IICD CC(C)c1nn(C)c2sc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc12 742556871 MOBKGAUDCVAGIP-GJZGRUSLSA-N 444.576 4.441 10 20 IICD Cc1ccc(OC[C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 742759200 PGCLKUJLOYJOPR-QRVBRYPASA-N 429.536 4.014 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)nc1-c1ccccc1 743047002 UXTMVKPUUZWFHF-UHFFFAOYSA-N 434.514 4.082 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)nn1 743191180 FCDNKPXUWGWZBC-GOSISDBHSA-N 433.512 4.297 10 20 IICD C[C@@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 743565470 WWSIAZIRJCOSPP-WOJBJXKFSA-N 425.598 4.408 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2)nc1 743958362 TTWSVGVXCSVKJH-UHFFFAOYSA-N 431.492 4.022 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(CO)o2)c(C)n1-c1ccc(OC(F)F)cc1 745384552 NHYRMZLRLUXWDF-CQSZACIVSA-N 433.407 4.209 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)ccc21 746705858 IWYXMRBYBQBLTE-UHFFFAOYSA-N 447.564 4.399 10 20 IICD Cc1cc(C(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1 747413772 HIVBFIWNWJMFJI-GOSISDBHSA-N 447.457 4.020 10 20 IICD CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751931049 MPDFRHUYXKAMPM-UHFFFAOYSA-N 437.565 4.300 10 20 IICD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753640013 GLASAVBESFHBOJ-GFCCVEGCSA-N 448.350 4.497 10 20 IICD COc1ccc(N2CCN(CCN[C@@H](c3cccnc3)c3ccc(F)c(C)c3)CC2)cc1 753641733 ZYOMCAYJPQDWCB-AREMUKBSSA-N 434.559 4.039 10 20 IICD C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O 756509799 FNZFAHRYULQPRU-AUUYWEPGSA-N 435.337 4.178 10 20 IICD C[C@@H](NCCc1ccc(OCCN(C)C)cc1)c1cc(Br)cc(F)c1O 756548466 KPOATNBSBLPWFR-CQSZACIVSA-N 425.342 4.128 10 20 IICD C[C@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)cc(Cl)c1O 756707704 NHNOZCCYUFERHF-VIFPVBQESA-N 433.680 4.167 10 20 IICD C[C@H](NC[C@H](O)COc1ccccc1Br)c1ccc(Br)cc1O 756760191 MXUPAKTZJBPQNL-AAEUAGOBSA-N 445.151 4.008 10 20 IICD CCOCc1cc(CNCCc2cn3cc(Br)cc(C)c3n2)ccc1OC 757959197 XQHUEFCUMFXQFK-UHFFFAOYSA-N 432.362 4.283 10 20 IICD O=C(NCCCSc1nccs1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 759569260 JMTJWVQLWBDCPT-UHFFFAOYSA-N 441.504 4.329 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 759578368 FBSZIZREVDDDDY-CYBMUJFWSA-N 446.520 4.102 10 20 IICD C[C@@H](Cc1ccccc1Br)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 759730955 JLJHLZWOLXGWFR-DLBZAZTESA-N 446.389 4.277 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cnn(-c2ccccc2)c1Br 760327607 IVMKQCWFMPBNEO-UHFFFAOYSA-N 426.314 4.149 10 20 IICD CN1CC[C@@H](CNC(=O)NCCCSc2nccs2)[C@H]1c1ccc(Cl)c(F)c1 763027315 ADULVRQTOWEGPT-WMLDXEAASA-N 443.013 4.410 10 20 IICD O=C(NCc1ccc(OCc2ccccc2F)cc1)NCc1ccc(N2CCOCC2)cc1 766596926 NQCWLCFAUADBBJ-UHFFFAOYSA-N 449.526 4.241 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 767923679 RPRGTPORKKMUCO-ZCNNSNEGSA-N 432.486 4.481 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)nc1C 768012418 WFVDHCSAFPRRKZ-UHFFFAOYSA-N 441.376 4.207 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 768911045 MVAXNNLSUCVSOH-KRWDZBQOSA-N 431.492 4.427 10 20 IICD COc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC(F)F 768912584 PBHVZSGFVZHBDJ-INIZCTEOSA-N 440.874 4.050 10 20 IICD COCCOc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(Cl)c1 769888115 ZLDUGOWSOLGQEX-UHFFFAOYSA-N 443.975 4.150 10 20 IICD CO[C@@H](C)c1nc(CN2CCCN(Cc3cccc(Br)c3O)CC2)cs1 770288440 LVBAYOZSPKRCCT-AWEZNQCLSA-N 440.407 4.027 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 772798894 UOLIAWDLYUUNDL-ZDUSSCGKSA-N 437.334 4.021 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 777941380 SAHQCLPNYLFJSW-NRFANRHFSA-N 434.367 4.366 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1)C1CCCCC1 784255267 USPLGTBYRKAURF-NRFANRHFSA-N 429.605 4.183 10 20 IICD CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1Cl 790513849 LLYGMRAYDPWTBL-KRWDZBQOSA-N 438.959 4.416 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)c(Br)c(Cl)c1 795359728 FXDDFOBNDQEUEY-UHFFFAOYSA-N 445.691 4.147 10 20 IICD C[C@H](NC(=O)C(C)(C)c1ccccc1Br)c1ccc(N2CCOCC2)cc1 798408739 FNFWUIJKSCJIOS-INIZCTEOSA-N 431.374 4.441 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl 798941096 WRTULUVOZJCMKW-HXOBKFHXSA-N 443.975 4.268 10 20 IICD Cn1cc(Oc2ccccc2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 800902893 FDQYHGSXAQCBOT-INIZCTEOSA-N 442.466 4.213 10 20 IICD COCN1C(=O)CCc2cc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)ccc21 801781408 GYQIMPDHVBHDLQ-UHFFFAOYSA-N 435.480 4.103 10 20 IICD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806165197 DPOPLDRGNXNHSQ-UHFFFAOYSA-N 446.356 4.098 10 20 IICD C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)n1ccc2ccccc2c1=O 806425562 HKSGVBDTRPQMKB-IBGZPJMESA-N 429.520 4.451 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 807838579 YATDZYYAQPMXPY-CYBMUJFWSA-N 425.287 4.007 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Nc4nc(C)cs4)cc3)c2)CC1 811316580 JOZDRSYTWSGPFY-UHFFFAOYSA-N 435.553 4.116 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(Cc3ccc(C(N)=O)cc3F)C3CC3)cc2)CC1 813634551 RDPFFRFRZNIHLT-UHFFFAOYSA-N 438.547 4.035 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1csc(-c2ccccc2F)n1 814618602 SICIBWHGZOJWDH-UHFFFAOYSA-N 439.556 4.380 10 20 IICD Cc1cc2cc(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc2nc1Cl 815016781 PIWIBHMOOHMQSZ-GOSISDBHSA-N 446.956 4.272 10 20 IICD COc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OCC(F)(F)F 916389145 QLLSVBPBIVXLJO-UHFFFAOYSA-N 425.451 4.044 10 20 IICD COc1ccc(Br)cc1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 916588428 XQELQYFHUYBLDP-UHFFFAOYSA-N 432.362 4.400 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)CC2)cc1 916686982 YBNQVYFVVBPHBA-UHFFFAOYSA-N 433.556 4.418 10 20 IICD CCN(CC)c1ccc(CNc2cnn(-c3ccccc3C(=O)OC)c(=O)c2Cl)cc1 917085547 QNUINXWRDIWCLZ-UHFFFAOYSA-N 440.931 4.131 10 20 IICD Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2ccc(N3CCSCC3)cc2)s1 917385992 HLTFWJPRYMRULL-UHFFFAOYSA-N 444.622 4.238 10 20 IICD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3Cl)cc2F)C[C@@H](C)O1 917916722 APBSMRBGGKNCNU-CHWSQXEVSA-N 447.359 4.225 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C2CC2)cc1 918059825 PVQNLPPNXLCXEH-UHFFFAOYSA-N 434.584 4.253 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3c3ccccc3)cc2)C1 918122926 NUUSMPZSRFWQHP-ISKFKSNPSA-N 434.584 4.215 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 918140089 IJGGNKYTJRCLOE-GJZGRUSLSA-N 441.547 4.161 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 919205434 SCMHJMPOWCQHBO-UHFFFAOYSA-N 434.323 4.356 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1Sc1ccccc1 919968381 HUHCJAZQSIKYRC-UHFFFAOYSA-N 433.577 4.372 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CONC(=N)Cc3nc(C)cs3)c2C)cc1 920399984 MLJYFZDWPHQCGA-UHFFFAOYSA-N 426.542 4.182 10 20 IICD C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(N2CCOCC2)cc1 920882036 KYCWPZGHRDPAOL-INIZCTEOSA-N 444.457 4.219 10 20 IICD O=C(CNc1ccc(SC(F)(F)F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 1324198892 WGIGPLRPOMKMBE-UHFFFAOYSA-N 443.466 4.003 10 20 IICD CCOC(=O)c1sc2nc(C)nc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 65280539 OSIVKOOYHCZAGP-HNNXBMFYSA-N 440.569 4.495 10 20 IICD COc1ccc(N2CCN(CC(=O)Nc3cccc(CSc4ccccn4)c3)CC2)cc1 109610656 IKTRIEOQFRQAGV-UHFFFAOYSA-N 448.592 4.143 10 20 IICD CCN(CC)[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccsc1 110462227 GZWGMIVTVAZNFB-JOCHJYFZSA-N 430.618 4.108 10 20 IICD O=C(Cc1cccc2ccccc12)NCC(=O)N(Cc1ccco1)Cc1ccccc1O 247852236 HNXUXFPZSYFIBY-UHFFFAOYSA-N 428.488 4.026 10 20 IICD COc1cc(N(C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc(OC)c1OC 303884711 JNMWMZVNLQIQSK-QHCPKHFHSA-N 430.520 4.335 10 20 IICD O=C1CCCN1C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 726093202 MZNWFBIOQIXRFF-QFIPXVFZSA-N 433.508 4.061 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4ccc(O)cc4)n3)cc2F)C[C@H](C)O1 726381760 QAMYITMCSPYRSK-GJZGRUSLSA-N 441.528 4.198 10 20 IICD CC1CCN(c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cn2)CC1 727102331 ZGVNJSGHQWAITQ-OALUTQOASA-N 440.563 4.001 10 20 IICD CCOc1cc2[nH]ccc(=NCc3ccc(N4CCC(CO)CC4)cc3)c2cc1OCC 732803792 QALBXSXYQJIMRE-UHFFFAOYSA-N 435.568 4.275 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2ccncc2)c(Cl)c1 733922296 VSCMHTXFNIQOPC-UHFFFAOYSA-N 441.890 4.433 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734008563 GBFCWYHDKWRTRV-GOSISDBHSA-N 448.489 4.264 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)CCCSc2ncc(-c3ccccc3)n2C)cc1 734094239 AAGPCFPNANZFNH-UHFFFAOYSA-N 429.567 4.002 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)cc1 740456539 CQXVGQVRAMZESI-UHFFFAOYSA-N 446.617 4.240 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(NC(=O)c2ccccc2)c1 740908113 RZEYDXARVWLGII-UHFFFAOYSA-N 426.520 4.315 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cn1 743046289 UTDZJXIUWZHKAD-UHFFFAOYSA-N 448.476 4.083 10 20 IICD COCCOc1cc(C)ccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743110123 NOHLLZYDFAWLCW-QGZVFWFLSA-N 449.498 4.412 10 20 IICD Cc1cc(C(=O)NC2CCN(C3CCN(C)CC3)CC2)c(C)n1-c1ccc(Cl)cc1 747773477 MFGDNCYQABWLNR-UHFFFAOYSA-N 429.008 4.036 10 20 IICD O=C(CCSc1nc2ccccc2s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749407714 XNFAIKDQZRDJFK-UHFFFAOYSA-N 445.585 4.195 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4ccccc43)cc2F)C[C@@H](C)O1 749931451 NDBZOXBAUFDZGX-CBGDNZLLSA-N 427.520 4.152 10 20 IICD Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(C)n1-c1ccccn1 752367818 WVRCFPNUPTXXGD-SESVDKBCSA-N 438.572 4.255 10 20 IICD C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(Cl)c(Cl)c1O 756733296 ODJCPWFKAUBTJL-OAHLLOKOSA-N 436.383 4.375 10 20 IICD Cc1ccc([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c(O)c1C 756770545 YALMJWSUELDCLC-HXUWFJFHSA-N 430.614 4.422 10 20 IICD Cc1cc([C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)ccc1F 759288620 YEWYIHZFDAZHNE-HSZRJFAPSA-N 429.511 4.185 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc4ccccc4nc3Br)CC2)cc1 760186789 NTHKOSWVCFPGDV-UHFFFAOYSA-N 441.329 4.360 10 20 IICD CS(=O)(=O)c1nc2ccccc2n1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 760511041 FIWLWBIZUDBIIG-UHFFFAOYSA-N 433.493 4.494 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2F)C[C@@H](C)O1 765119165 RVFILNVWKSAAIV-GUDVDZBRSA-N 445.554 4.266 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1cccc(Br)c1O 765258997 UBXAIFVHWQUGQX-UHFFFAOYSA-N 429.274 4.367 10 20 IICD C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1cccc(Br)c1O 765533006 FPZFRHOXDIXZEI-HZPDHXFCSA-N 446.389 4.111 10 20 IICD C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1 765536866 UDXOURDBVXWCAF-FUHWJXTLSA-N 446.389 4.255 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)C2)c1 766437317 JKNPIEHJRWPNLE-QZTJIDSGSA-N 445.991 4.123 10 20 IICD O=C(NCCCSc1nccs1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 767096691 MBYYIXIPLPENCN-VQTJNVASSA-N 430.643 4.321 10 20 IICD O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2cc(Br)ccc2O)CC1 768863991 ZENZKCKFMIGDAB-UHFFFAOYSA-N 439.737 4.364 10 20 IICD O=C(CCCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 771395885 ATBXJYFGYKROFU-UHFFFAOYSA-N 438.465 4.445 10 20 IICD Nc1nc(CCN(Cc2ccccc2O)C[C@@H]2CCCO2)nc2sc3c(c12)CCCC3 772202813 WSEKFTUKISXYLV-KRWDZBQOSA-N 438.597 4.082 10 20 IICD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1ccc(C2CC2)cc1 772567920 PQNVQMNIDHZHRR-UHFFFAOYSA-N 446.530 4.141 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(SC)c3C)CC2)cc1 775398617 BHZSJHYKTZIMQG-UHFFFAOYSA-N 428.602 4.059 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 777826635 OVRCDJPQRCHFTH-RTBURBONSA-N 427.508 4.397 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)cc2)c1 780885420 BKXCMESRVODZKJ-UHFFFAOYSA-N 448.494 4.036 10 20 IICD Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 785043156 WOLMDRFBRKZKRN-JOCHJYFZSA-N 441.491 4.049 10 20 IICD CCc1ccc([C@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)CCO2)cc1 790199258 XXKNOBYZOWUEFE-HSZRJFAPSA-N 425.598 4.085 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3-n3cncn3)SC2=S)c1 794932749 BROIONOBRCXQEW-FRKPEAEDSA-N 442.909 4.025 10 20 IICD CC(C)(C)CCc1noc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1 795751328 OZNVHCUWGOFOQK-UHFFFAOYSA-N 446.485 4.130 10 20 IICD Cc1sc(NS(=O)(=O)c2cnc3ccccc3c2)nc1-c1cccc([N+](=O)[O-])c1 800926487 PEOYEWHBMPAEKN-UHFFFAOYSA-N 426.479 4.376 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCc1nccs1 802434704 IHWFQBKDXWKARE-UHFFFAOYSA-N 436.585 4.134 10 20 IICD CC(=O)NCC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)CC1 802662752 YTRCEDJAXANZKS-UHFFFAOYSA-N 448.615 4.361 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807672228 ADSDAVABXBWWKS-LJQANCHMSA-N 430.552 4.041 10 20 IICD C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 813606027 MYCWBIHTKKSJSE-LZYPDUGYSA-N 445.563 4.358 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2cc(Br)ccc2o1 917707917 BNYLALDITYBFHB-UHFFFAOYSA-N 433.277 4.101 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)cc(Br)c3)cc2F)C[C@H](C)O1 917713234 JSMJBFYBLFAYFE-STQMWFEESA-N 439.300 4.271 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCSc3ccc(Cl)cc3)cc2)C1 917833201 NAMXEHBIOMSLRE-SFHVURJKSA-N 446.016 4.230 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1cccc(Br)c1 918102404 UWXZUYQYHINGIP-INIZCTEOSA-N 442.361 4.005 10 20 IICD C[C@H](Cc1ccc(Br)cc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 918213723 QICBJWBZGKITKD-MRXNPFEDSA-N 448.430 4.433 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1OCC(F)(F)F 918310808 PYUBTYLMMOHQCA-UHFFFAOYSA-N 449.473 4.215 10 20 IICD COc1ccc(C)cc1C1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CCOCC1 919893444 WKJMYEFLHOMBTM-UHFFFAOYSA-N 433.552 4.284 10 20 IICD Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC[C@H]2CCCO2)c1 920872755 HCBOIDMOIHZFJZ-DENIHFKCSA-N 439.556 4.272 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(=S)[nH]c3c2)cc1 18215227 XVXCOLMXLQYBLV-UHFFFAOYSA-N 448.523 4.183 10 20 IICD CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccsc1 71932376 RWEDBQPATIKIBA-OAQYLSRUSA-N 432.659 4.184 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1F 303338064 KYYKMZQKFMOKPE-LJQANCHMSA-N 432.609 4.445 10 20 IICD CCCc1c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cnn1-c1ccccc1C 472803496 AWOUOZITUTYIKM-UHFFFAOYSA-N 443.551 4.188 10 20 IICD Cc1cc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)ccc1NC(=O)C1=S=CC=C1 546310404 IECALFHNAKZFTL-UHFFFAOYSA-N 441.516 4.038 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(Cc4ccc(OC)cc4)c3)ccc21 556578458 GGCJYZJGCWWQJT-UHFFFAOYSA-N 432.524 4.410 10 20 IICD Cc1cccc([C@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)N2CCOCC2)c1 726091863 BNZCQEKPOYDHHX-DEOSSOPVSA-N 449.551 4.079 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N(C)c1ccccc1 726705669 MBUPYOYISNHRSP-QGZVFWFLSA-N 432.515 4.081 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N[C@H](c3ccccc3)C3CC3)ccc21 728638103 IJIVUVTUYJBYBY-RUZDIDTESA-N 434.536 4.329 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1F 731346196 GFJCQMGTBJKKOZ-UHFFFAOYSA-N 425.382 4.468 10 20 IICD Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1cccc(C(C)C)c1 732559016 GCKIBJOLJOZPJE-RUZDIDTESA-N 436.644 4.458 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 733847835 GYTZIQVTEWYEIJ-HOTGVXAUSA-N 434.496 4.170 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 734667013 RCTTXVBKOZQMHO-UHFFFAOYSA-N 447.583 4.180 10 20 IICD C[C@H](c1ccccc1)N1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 734946809 OGOKELOQYOXBDG-YKSBVNFPSA-N 437.584 4.308 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 740812240 ZMBPNWQKLOARGU-UHFFFAOYSA-N 436.477 4.048 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)NC(=O)OC(C)(C)C)cc1 742755020 ULKCGPWENPQYRJ-TZIWHRDSSA-N 441.597 4.152 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)ccc1Br 747858174 PSHQNCVWEVSPHE-UHFFFAOYSA-N 431.358 4.444 10 20 IICD COc1ccccc1NC(=O)Nc1cc(NC(=O)NCc2ccccc2O)ccc1OC 748446535 FMPSRTRVWYOLSP-UHFFFAOYSA-N 436.468 4.375 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(OCC(F)F)cc3)cc2F)C[C@H](C)O1 748617175 HXNCWENHSFEDMO-GJZGRUSLSA-N 437.462 4.405 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)c(C)n1-c1ccccc1 751586612 PPPNRMNYCXXJLS-UHFFFAOYSA-N 442.484 4.367 10 20 IICD CCc1nc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 754789778 GAHWODNCIDWFGK-KGLIPLIRSA-N 433.533 4.159 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)c1c(F)cccc1F 756965749 XTJBFVIPPSJSBQ-UHFFFAOYSA-N 432.364 4.443 10 20 IICD COc1cccc(CNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)c1O 769508373 YZYLESUUOJVZKZ-UHFFFAOYSA-N 432.885 4.004 10 20 IICD C[S@@](=O)c1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 770253985 OJGRIJAZOUVCJG-JGCGQSQUSA-N 447.604 4.041 10 20 IICD COc1ccc(C[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)c2ccc(OC)cc2)cc1 774942659 REAMTWFVDNAFIN-NRFANRHFSA-N 438.480 4.400 10 20 IICD COc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 786759565 IRWGQYFYDBPWKD-IAGOWNOFSA-N 443.975 4.079 10 20 IICD Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1-c1cccc(Cl)c1 787593443 PSHNGFHJZKWVHV-UHFFFAOYSA-N 427.892 4.330 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H](O)c1ccccc1 792037830 DSKOUDKWZFPUQK-OSOIDXKESA-N 443.563 4.141 10 20 IICD CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)ccc1C 795549565 QGCXZTSUMAFQME-UHFFFAOYSA-N 432.523 4.105 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1c(Cl)ccc3c1CCO3)c2[N+](=O)[O-] 797335340 LJLWYXMEHCUMSE-UHFFFAOYSA-N 448.818 4.211 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CCC(F)(F)C1 797558242 NTJAOOFKCRKUEV-CJAAZZPWSA-N 430.567 4.281 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 797623182 LRCGYLGPEKEYIA-HNNXBMFYSA-N 437.471 4.171 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O 806334011 VEZYJECGRWLUDA-UHFFFAOYSA-N 426.300 4.121 10 20 IICD COCCCOc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC 806626071 ZFHUIFRQRYESAQ-UHFFFAOYSA-N 429.300 4.445 10 20 IICD Oc1c(Br)cc(Br)cc1CNCc1ccnc(N2CCCC2)c1 809794145 UONBBEHFQKBTEQ-UHFFFAOYSA-N 441.167 4.202 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC12CCC2 813785250 ADZWAVCETZXWOJ-HNNXBMFYSA-N 425.913 4.366 10 20 IICD Cc1cc(C)c(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1C 814274844 DENJZSRFAAYFKG-ODLFYWEKSA-N 446.619 4.268 10 20 IICD COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918221657 QTKUSLDZSGCZQU-HZPDHXFCSA-N 449.954 4.443 10 20 IICD CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)n1 1323631655 VSCFBUUDDLALCT-UHFFFAOYSA-N 447.539 4.312 10 20 IICD Cc1occc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830735051 KGKRXXSMOBUWJY-IBGZPJMESA-N 446.931 4.200 10 20 IICD CCOc1c(Br)cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1OC 302958250 FZADJWNWODSHKN-UHFFFAOYSA-N 433.346 4.169 10 20 IICD O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801668 JTOUMCMIERNJCY-WQRHYEAKSA-N 433.938 4.261 10 20 IICD C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 727164091 JVQZGYXRRNFDRP-HNNXBMFYSA-N 437.367 4.286 10 20 IICD CCOc1ccccc1[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)NC(C)=O 728234625 MOJOANWSBQGJTD-QHCPKHFHSA-N 425.573 4.156 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 729039681 PVXBSYNTNSSIPE-KRWDZBQOSA-N 445.519 4.415 10 20 IICD C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 730119248 QZDLYFKQMBACCP-MRXNPFEDSA-N 433.474 4.371 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)CC1 731048998 VUULXGGLRTZCFO-UHFFFAOYSA-N 438.641 4.476 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 731054342 BZSDQZWNGXFXNC-UHFFFAOYSA-N 445.591 4.460 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F 731345517 ZTRVRGJZKBPABY-NRFANRHFSA-N 426.598 4.060 10 20 IICD Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 732887378 IVDLANLUDCYKBD-ZJSXRUAMSA-N 436.600 4.283 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c(C)n1-c1ccccn1 740844320 UCIWGVMNBSRHKS-JOCHJYFZSA-N 444.535 4.057 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)c2ccc(N3CCOC3=O)cc2)c1C 741821026 QXJRZTJGZVIJCD-UHFFFAOYSA-N 432.476 4.399 10 20 IICD CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F 741908629 AHVUSWNZDRPPIS-QGZVFWFLSA-N 427.520 4.138 10 20 IICD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 742416728 LZCCLNFXWSGYDW-UHFFFAOYSA-N 436.556 4.302 10 20 IICD COCc1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1 743283172 XBBCBOJEDRWXSQ-MOSHPQCFSA-N 427.547 4.048 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(CC(F)(F)F)CC2)cc1 743356403 KHXOUSKAFYHDOQ-UHFFFAOYSA-N 438.494 4.084 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 745846207 DRFFXHWDXALDML-FQEVSTJZSA-N 428.964 4.133 10 20 IICD CCCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1OC 746215052 CWBVAXGZXRFTII-SFHVURJKSA-N 429.536 4.354 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](C)c1ccc(C)o1 746952237 OYMIXIYBPKZLMN-CTNGQTDRSA-N 440.588 4.363 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 753812480 QLYXHFQQXQKEPT-UHFFFAOYSA-N 433.556 4.049 10 20 IICD C[C@@H](NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 755663401 VUTCRJQSBIAQNS-GOSISDBHSA-N 439.556 4.290 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2cccc(Br)c2)CC1 761297323 JCLVUBQEDKAKIL-UHFFFAOYSA-N 449.732 4.304 10 20 IICD COc1ccc(CCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c(OC)c1OC 765678798 ACOPMJUPGVTMKG-INIZCTEOSA-N 434.964 4.096 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c2ncccc12 768016792 PNJKGUDHQUATNO-UHFFFAOYSA-N 434.540 4.077 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1 769929380 ZJRWRHKPYRYCFC-UHFFFAOYSA-N 432.406 4.422 10 20 IICD COCC1(C)CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 773974150 FECFXFRSZZORTA-SSZFMOIBSA-N 438.640 4.005 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1F 775038638 YIHDHZHZWIURAO-UHFFFAOYSA-N 432.483 4.384 10 20 IICD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 775437479 CGXMKLGYJQBFCP-VQIMIIECSA-N 433.503 4.143 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775622243 SGLUDZOONQVOSE-RTBURBONSA-N 443.510 4.077 10 20 IICD CC(C)(NCc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1 776173949 FAXHDWCDFBGYFM-UHFFFAOYSA-N 442.151 4.424 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1-c1c(F)cccc1F 778619412 ZCGNAEIIBHJYIZ-UHFFFAOYSA-N 433.458 4.263 10 20 IICD CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 779510959 DIRFXNAUSLGGGA-CUPZGDSWSA-N 445.357 4.169 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1)C1CCCCC1 780045754 DMEXMZFGGRVDNN-UHFFFAOYSA-N 431.540 4.101 10 20 IICD Cc1cc(C(=O)CN2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(F)c(Cl)c1 781345369 ZBKWFJYASSWBMK-UHFFFAOYSA-N 433.955 4.260 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Br)c(F)c2)cc1 784106845 PDRWHBHJMCHODT-UHFFFAOYSA-N 434.309 4.332 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1Oc1ccccc1 788930687 UVLACTPKIHXSJX-UHFFFAOYSA-N 429.520 4.012 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 790546773 NUCIBTXARCHBGU-LJQANCHMSA-N 437.544 4.207 10 20 IICD O=C(NCc1ccc(NC(=O)c2cccc(O)c2O)cc1)c1ccc(Br)cc1 790668914 OYWBISOURZLIKX-UHFFFAOYSA-N 441.281 4.043 10 20 IICD C[C@H]1CCSCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 791907360 NZQCBAFMIDDBQQ-FRRXJZEGSA-N 426.654 4.084 10 20 IICD C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc2c(cc1O)CCCC2 793558815 IAACKBKQTWDPGG-YHAMSUFESA-N 433.552 4.347 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@H](OC)C[C@H]2C)sc(C)c1-c1ccccc1 799344809 IGFVJNAASDVMFO-QAPCUYQASA-N 430.570 4.338 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(C(F)(F)F)cc1 806277643 GZTFBVXQDCXILH-OAHLLOKOSA-N 445.532 4.274 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccnc1Oc1ccccc1 807511834 XOFHVAPHVZLRGA-UHFFFAOYSA-N 432.263 4.141 10 20 IICD Fc1cc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1N1CCOCC1 809752043 NAUQIWYFTVYOCR-HXUWFJFHSA-N 427.568 4.208 10 20 IICD COc1ccc(F)cc1/C=C1/SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O 812219702 MKHDRDHXHIEXCM-XDHOZWIPSA-N 431.510 4.049 10 20 IICD C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 812861288 ONPZCEZADIDOKH-OAHLLOKOSA-N 436.493 4.464 10 20 IICD C[C@@H](NC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 814321327 JNMYMRHFPIUAJJ-HXUWFJFHSA-N 444.579 4.361 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NCc3ccc(C(C)(F)F)cc3)cc2F)CC1 814462317 CGHNYXBXDVBARA-UHFFFAOYSA-N 434.506 4.079 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCCN(Cc2cccc(F)c2)C1 820006068 IGUNAJPOVLKRSW-LJQANCHMSA-N 429.499 4.386 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)n2)cc1OC 915220293 SCPLKQAMZWRHSS-UHFFFAOYSA-N 434.539 4.254 10 20 IICD CC(C)OCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916457404 BHHGRSNYHZYGMY-UHFFFAOYSA-N 436.474 4.397 10 20 IICD CC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916677377 LTNJRGRVGKYGFK-FQEVSTJZSA-N 425.529 4.134 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OC(F)F)c1 918212535 JDJJJSPQWXPPSZ-MRXNPFEDSA-N 433.499 4.057 10 20 IICD C[C@H](NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccc(N2CCOCC2)cc1 920866015 SDPDKHMFXBHQPT-SFHVURJKSA-N 449.576 4.208 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCC[S@@](C)=O 1341912582 BRIQJNCVAOOKCF-YVGXBJCXSA-N 441.519 4.250 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)o2)C3)cc1 1845398733 XKSCMOUWPLMOSH-UHFFFAOYSA-N 437.927 4.471 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cccnc1Sc1ccccc1 19012266 ISARJRRFOGYYIX-UHFFFAOYSA-N 435.549 4.114 10 20 IICD O=C(c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1)N1CCc2ccccc21 301234686 KZMIGIGPMJRZAS-UHFFFAOYSA-N 442.563 4.105 10 20 IICD CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1 303220418 VBKANMKQPASDIX-UHFFFAOYSA-N 428.536 4.378 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)ccc21 487040186 JKGYHKKOSGNXLX-QHCPKHFHSA-N 433.596 4.199 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3nncn3c2)c(C)n1-c1ccc(Cl)c(Cl)c1 725933757 YYIQABVXWGQEMH-UHFFFAOYSA-N 443.290 4.483 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3C)CC2)cc1 726728313 QHYUIMWRTLLPIT-UHFFFAOYSA-N 443.547 4.394 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)ccc21 728475569 QDQCZZGRAGHAEE-UHFFFAOYSA-N 425.504 4.133 10 20 IICD CCn1c2ccccc2c2cc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)ccc21 729066559 MSHTYODZAVFSNU-OAHLLOKOSA-N 431.492 4.345 10 20 IICD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 729528297 ZVWHILQTKQKJGR-HSZRJFAPSA-N 437.584 4.429 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 729594644 UIOFGGJXZOVNQC-UHFFFAOYSA-N 430.556 4.161 10 20 IICD CC(C)COc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 730120655 SWRYFIAIOQYTMW-UHFFFAOYSA-N 439.600 4.335 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(Sc4ccccc4)CCCC3)cc2)C1 731976805 BFKUVKDEEVIPBZ-HXUWFJFHSA-N 437.609 4.110 10 20 IICD C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 733847272 ZASHKMQMWJEZME-IFMALSPDSA-N 430.662 4.036 10 20 IICD CC(C)COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cn1 735015225 XZHDHPDEAWKDBV-UHFFFAOYSA-N 445.431 4.052 10 20 IICD O=C(NCCN1CCCC1)c1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1 736355396 JVEZYYIIZOCWIL-UHFFFAOYSA-N 429.564 4.175 10 20 IICD C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 737697842 LPNKLWKQHXEWOY-CYBMUJFWSA-N 444.418 4.269 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 741284503 RWBCCCFNEOJLID-GOSISDBHSA-N 434.367 4.461 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CSc2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1 742755145 WBGNRDLLNWPMTF-HXUWFJFHSA-N 447.576 4.366 10 20 IICD COc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 743410736 OVMGHRIYUBNMDX-ZEQKJWHPSA-N 444.531 4.197 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)n2)cc1C 746783962 RPDWJHCPZMXNDU-UHFFFAOYSA-N 434.565 4.282 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C2CC2)cc1 746786523 JDMXGSWNVOQMGZ-UHFFFAOYSA-N 426.567 4.067 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 747857297 MAWFAFPVFUIZKQ-UHFFFAOYSA-N 438.914 4.060 10 20 IICD O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)NCc2ccccc2O)cc1 748461467 YNQNEJDXZJSRAC-UHFFFAOYSA-N 433.508 4.189 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(N2CCc3sccc3C2)cc1 748995599 WRWAHSDRXBQGPT-UHFFFAOYSA-N 448.592 4.469 10 20 IICD COc1ccccc1COC[C@@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 749167047 QWPYZXINXGCTGB-FQEVSTJZSA-N 441.549 4.112 10 20 IICD O=C(NCc1ccnc(OC2CCCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 749423921 VJCBNNZBLUEIKI-JOCHJYFZSA-N 439.556 4.390 10 20 IICD C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(N2CCOCC2)cc1 755238357 RDYWGZNCZCNBJC-GFCCVEGCSA-N 425.273 4.055 10 20 IICD CSCC[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)c1nnc2ccccn12 756367165 XDMRAJWXAXLWMI-ABAIWWIYSA-N 439.354 4.482 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)sc2C)cc1 760303463 DPTFDQHYFMVXDP-UHFFFAOYSA-N 427.551 4.457 10 20 IICD CN(c1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 762226708 VGDZGQSCZUTTEK-HXUWFJFHSA-N 449.599 4.089 10 20 IICD COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)o2)cc1 764410853 BUVMZDFYHRWYSI-YVLHZVERSA-N 426.475 4.123 10 20 IICD COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)c2C)cc1 764410944 DIRXYCNCHYOFKW-ODLFYWEKSA-N 425.535 4.492 10 20 IICD O=C(NCCc1ccc(Br)s1)NCc1cccc(Br)c1O 764760491 HCVBMKYUPWVQGU-UHFFFAOYSA-N 434.153 4.021 10 20 IICD C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(N2CCOCC2)c1 766237070 HMSVODXGIHGMHJ-ICSRJNTNSA-N 431.527 4.444 10 20 IICD CCOc1ccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c(O)c1 769223640 PPJOMTFTOKQGCN-UHFFFAOYSA-N 433.346 4.404 10 20 IICD CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]1c1ccccc1 769720760 VSOOFXDLUKITIT-HXUWFJFHSA-N 442.562 4.478 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(C)cc3cccnc23)nc1-c1ccccc1 775208689 OPIKKDQENRHKLK-UHFFFAOYSA-N 438.534 4.426 10 20 IICD COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1OC 775255726 OYTFFCKRKDBKPN-HNNXBMFYSA-N 435.362 4.154 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)cc(C(F)(F)F)c1 778936395 GFKSCCHFFNJGHC-UHFFFAOYSA-N 430.829 4.389 10 20 IICD O=C(Nc1cccc2c1OCCC2=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 780684220 ANKLGBMAILVVIR-AWEZNQCLSA-N 431.439 4.044 10 20 IICD CCc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C1CCCC1 789816974 UHZIMPOYORFOKZ-SFHVURJKSA-N 430.980 4.314 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 795300941 ALXKBKQDBRKXOJ-UHFFFAOYSA-N 430.551 4.306 10 20 IICD CCCCn1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C 800636177 HEZXCFCGWNHDQD-INIZCTEOSA-N 445.995 4.136 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCOC1 802612241 CYLZCZKESYLUHV-OAQYLSRUSA-N 437.588 4.252 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1F 806772922 WZVAEWIRUUKOQR-MQSCRBSSSA-N 425.548 4.386 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807193789 HZINIRLMLHNCRF-MWTRTKDXSA-N 436.483 4.093 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H](Cn1ccccc1=O)c1ccccc1 807213574 REGPNGPZHJFFNS-SFHVURJKSA-N 432.307 4.101 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccccc1-c1ccccc1 807387311 HTNNYEUGXUXTDT-UHFFFAOYSA-N 425.282 4.077 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3C)CC2)cc1 807599944 VJUCGYYITMNDJW-GOSISDBHSA-N 427.545 4.004 10 20 IICD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O 807837799 CKJOYCHZSIYMLK-UHFFFAOYSA-N 445.368 4.014 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc4c3OCC(=O)N4)cc2Cl)C1 810260063 CTILQYCRRDUOBH-CQSZACIVSA-N 428.920 4.229 10 20 IICD COc1ccc(O)c(CNc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)c1 811806390 VAQZPRXWFZVVMV-UHFFFAOYSA-N 425.794 4.231 10 20 IICD CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cn1 811824402 VOEUZMGAQDZHHC-UHFFFAOYSA-N 428.461 4.091 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1F 812529864 FHCQNEWSYWYTAE-UHFFFAOYSA-N 449.404 4.471 10 20 IICD C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1OCCc2sccc21 814115988 ACKNTVDYUNKLJS-BXTJHSDWSA-N 436.524 4.385 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 914847016 IPQOEHLRNUVRBL-QGZVFWFLSA-N 434.367 4.228 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)c(C)n1-c1ccccn1 914906164 MLVIQDBBKAODDG-UHFFFAOYSA-N 429.879 4.097 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2cccc(F)c2)no1 916456557 JNRISTPBUJBJKZ-UHFFFAOYSA-N 449.404 4.266 10 20 IICD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916672063 ZTJWUCWRMWEJEU-UHFFFAOYSA-N 440.441 4.069 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1 917715422 QPWSBOWLIWMGSI-IYBDPMFKSA-N 436.474 4.290 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)OCCO2 918023592 FAUVZWAPDOXDNO-UHFFFAOYSA-N 438.505 4.087 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 919076658 BSRNEBDRWVDDEZ-OAQYLSRUSA-N 435.524 4.312 10 20 IICD CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 919895557 OJZRWHJTZGQHDR-UHFFFAOYSA-N 435.572 4.001 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920927381 WDKWJWGEEOZICM-IBGZPJMESA-N 445.519 4.131 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1254721410 RQNQTOMPIJANMN-YRISNDGFSA-N 428.598 4.459 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](Cc4nccn4C)C3)cc2Cl)C1 1322674116 GZNCLSNEKAYGLB-AZUAARDMSA-N 444.023 4.474 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(C(N)=O)nc4)n3)c2C)cc1 1338102773 CCHNZVVEZNWRAX-UHFFFAOYSA-N 431.521 4.272 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1 10885911 MQRZHPXLAFGABS-UHFFFAOYSA-N 431.492 4.016 10 20 IICD Cn1c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc2ccccc2c1=O 21729558 IPGPIOOLCYAGSK-SFHVURJKSA-N 432.549 4.268 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1 108576770 HFWDWQNFJSIXJX-UHFFFAOYSA-N 426.520 4.387 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1NS(C)(=O)=O 115615329 VUBHNDNSTLPFPG-UHFFFAOYSA-N 427.526 4.035 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 195546689 ZMHBYFVGQYRYAV-UHFFFAOYSA-N 434.496 4.285 10 20 IICD C[C@@H](Nc1ncc(Cn2cc(Br)cn2)s1)c1ccc(N2CCOCC2)cc1 302834312 TVFRMJOMNSADOR-CQSZACIVSA-N 448.390 4.160 10 20 IICD Cc1ccccc1-n1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C(F)(F)F 475953173 IYBQHODTLIIVFW-UHFFFAOYSA-N 430.430 4.305 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CN3CCOCC3)c3ccc(C)cc3)ccc21 482600373 DMBVHTCLQVZYMZ-RUZDIDTESA-N 449.595 4.016 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)ccc21 590661597 FXBBLQBRKAYNFF-UHFFFAOYSA-N 433.552 4.069 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1F 731347329 UCURGIDUGOAABQ-UHFFFAOYSA-N 429.492 4.109 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)c1O 737285578 IUHKJMBVSPUASF-UHFFFAOYSA-N 442.924 4.460 10 20 IICD O=C(COc1ccc(F)cc1Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801652 RPQDEPAEQICGIY-AWEZNQCLSA-N 428.838 4.245 10 20 IICD Cc1ccc(N=Nc2cc(C)ccc2NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744348584 BEMSYLBSIRDKOE-PRTQVNTJSA-N 446.507 4.210 10 20 IICD O=C(NCc1cc(-c2ccccc2)on1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745801574 XVXBLJDSLDEWHJ-QGZVFWFLSA-N 442.466 4.411 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CSc3nc4cc(F)c(F)cc4[nH]3)cc2)C[C@@H](C)O1 747365452 RFGUZCBBTZXYFC-BETUJISGSA-N 432.496 4.186 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)cc2)C1 747875434 MDWQMZCLXAKOLX-NLJXWPIHSA-N 445.607 4.054 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 749730212 LNUJVJDUWVMBMT-UHFFFAOYSA-N 439.006 4.024 10 20 IICD CC(=O)c1cc(F)cc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1O 750819417 AUYDYVQIAVWNQH-UHFFFAOYSA-N 441.890 4.423 10 20 IICD C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751425539 JFGOQABTTASLJY-CRAIPNDOSA-N 442.562 4.273 10 20 IICD O=C(CCc1cc(F)ccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 752640094 AKQHXULSZKDJEB-SFHVURJKSA-N 436.321 4.434 10 20 IICD Cc1c(C(=O)NCCCSc2nccs2)c(=O)oc2ccc(Br)cc12 755368724 GMOLSAPYRQCXFB-UHFFFAOYSA-N 439.356 4.233 10 20 IICD C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)cc(F)c1O 756483908 ZJFQHDZIYGINJQ-SNVBAGLBSA-N 436.730 4.072 10 20 IICD O=C(NCCSCc1ccnc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 758361434 HSKFVRVFPDQKRE-UHFFFAOYSA-N 437.034 4.021 10 20 IICD C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 758738151 BHQXYOGGXZRGKL-IERDGZPVSA-N 433.499 4.068 10 20 IICD Cc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(O[C@H]2CCOC2)c1 758752372 AIAYZNDAOHPLNE-DEOSSOPVSA-N 437.584 4.398 10 20 IICD CSCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 760132713 SGKNPORADIHYHA-UHFFFAOYSA-N 434.564 4.370 10 20 IICD Cc1ccc(O[C@H](C)C(=O)NCc2cccc(Br)c2O)c(Br)c1 765751232 BKJPAXQDKXRINA-LLVKDONJSA-N 443.135 4.309 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 767314171 VPZRMSVJLWIHAA-VGOFRKELSA-N 429.948 4.021 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)N(C)C)cc3Cl)c2)CC1 767384034 WMNCGKXQNIPXAO-UHFFFAOYSA-N 443.979 4.216 10 20 IICD Cc1ccc(N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1Cl 769854793 MAXSQZBLTUZICF-UHFFFAOYSA-N 436.942 4.493 10 20 IICD O=C(Nc1ccccc1OCC1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769912639 VADUVBHYLXJQKC-UHFFFAOYSA-N 444.534 4.296 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)c2)CC1 770146350 HGKYZCFXANMSDE-UHFFFAOYSA-N 426.536 4.205 10 20 IICD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1C 771131977 CUOHRKFGZRJJDF-UHFFFAOYSA-N 441.481 4.011 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1O 774976757 RZZUHSYPXNOCQG-UHFFFAOYSA-N 440.418 4.166 10 20 IICD CC(C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCCO2 775831349 QTSCCOIRVDWPLQ-AVRWGWEMSA-N 425.573 4.078 10 20 IICD CC(=O)N1CCN(Cc2ccccc2NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 781117013 HDMNQJRIKPQDPG-UHFFFAOYSA-N 430.552 4.011 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)cc1 782423848 MWGYHFKUGPNNNE-UHFFFAOYSA-N 444.491 4.168 10 20 IICD C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n1 784110136 BSCKSEVPGGVNQZ-GOSISDBHSA-N 431.540 4.237 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(=O)N(C)C(C)C 786049558 MCIBKUXWSMMEHN-NRFANRHFSA-N 439.556 4.394 10 20 IICD CO[C@@H]1CCOc2c(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cccc21 790578104 WYKOPQADUVHSJA-ZMPRRUGASA-N 443.519 4.231 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 790787846 OTHBGWSPYMJJCB-UYHHGJEOSA-N 437.323 4.104 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc(Br)c(Cl)s3)cc2)C1 790954046 JMEGDRWCQJKPJD-ZDUSSCGKSA-N 442.810 4.156 10 20 IICD O=S1(=O)CCN(c2cccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)c2)CC1 796334159 ONGKLGURWXIZPZ-UHFFFAOYSA-N 447.604 4.096 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c([N+](=O)[O-])cc1OC 800048887 JOLQZTCOLPPOAD-AWEZNQCLSA-N 447.919 4.432 10 20 IICD CCCCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)Cc1ccccc1O 801595845 KLPOACVBPULCIG-UHFFFAOYSA-N 428.533 4.115 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 801918255 HOGKFYOGOLBJAY-NRFANRHFSA-N 449.599 4.394 10 20 IICD COc1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc2c1 806891101 HEHIOYLQLLGNAU-UHFFFAOYSA-N 431.536 4.340 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1 807690991 ZERVBOFWUCLZPR-NRFANRHFSA-N 441.547 4.049 10 20 IICD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N(C)Cc3ccccc3O)c2)c1 810326926 ZEABBNLOEGYPQC-UHFFFAOYSA-N 447.491 4.485 10 20 IICD CN(Cc1nccn1C(F)F)[C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O 913102602 LMLSMGLVCYGKMD-SFHVURJKSA-N 438.438 4.458 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c(OC)c1OC 913517276 DHYJGCASIVYZHV-LICLKQGHSA-N 444.534 4.077 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)CCO2 914574786 XXRWUMXWAIKGKD-ATVHPVEESA-N 430.576 4.303 10 20 IICD COc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C(=O)N(C)C)cc1OC 914783022 MDUAKQZFVXWRJJ-UHFFFAOYSA-N 439.487 4.205 10 20 IICD CCCCc1noc([C@H](C)S(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 915363238 UBBYSYHFKIIEBF-KRWDZBQOSA-N 429.542 4.178 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1[N+](=O)[O-] 916101981 KHJLXCAECMZOJU-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CCOc1cc2c(cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)O[C@@H](C)C2 916672989 ANPPCBVQMFONPR-LPHOPBHVSA-N 426.513 4.327 10 20 IICD CCCCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916677912 VFQPOECOQRMXSZ-UHFFFAOYSA-N 445.535 4.296 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CS(=O)(=O)C(C)C)n3)c2C)cc1 917575679 DPYYYPGTDWEEAF-UHFFFAOYSA-N 431.583 4.288 10 20 IICD CCOc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)c1 917792984 GUJGPGIBIGBFLH-UHFFFAOYSA-N 430.416 4.330 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)cc2C[C@H]1C 918195768 APPHSZBNUWSKNF-LLVKDONJSA-N 431.539 4.118 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc4nnc(-c5ccccc5)n4n3)cc2F)C[C@@H](C)O1 919722082 VFMJGHJAFCMMLE-CALCHBBNSA-N 432.503 4.156 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1Cl 919725043 LOEPPFPMNLAIAE-UHFFFAOYSA-N 429.767 4.181 10 20 IICD COc1ccc2ccc(O)c(CN3CCC(CN4C(=O)c5ccccc5C4=O)CC3)c2c1 1317939374 OZLCASJBOIBXOP-UHFFFAOYSA-N 430.504 4.062 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccnn3C[C@@H]3CCOC3)cc2Cl)C1 1339935722 BDOVOGDPOGVRTE-AEFFLSMTSA-N 431.968 4.131 10 20 IICD Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1787477970 OKDYAPPUBHCIKH-UHFFFAOYSA-N 441.871 4.109 10 20 IICD Cn1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)c1 1790775554 JHUOEPMEGKYBRK-UHFFFAOYSA-N 439.899 4.151 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 18150697 LPIYEGUFAGCSIB-UHFFFAOYSA-N 429.564 4.417 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1F 303308071 FAWDWCIYVVRQAM-UHFFFAOYSA-N 441.547 4.485 10 20 IICD COCCCOc1cc(C)ccc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 547173400 FCRGPNZTDODQFC-UHFFFAOYSA-N 449.532 4.343 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726271342 TYBPPELFKFAULT-NRFANRHFSA-N 444.620 4.465 10 20 IICD CSc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 727247209 RMRVNLZMABIBQM-UHFFFAOYSA-N 439.609 4.030 10 20 IICD COc1ccc(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Br 731857876 FVWWKNQFCZXOEV-SFHVURJKSA-N 448.357 4.304 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(Cn2cnc3ccccc32)c1 734665750 QVCZYDBDTDKVLY-UHFFFAOYSA-N 427.552 4.458 10 20 IICD O=C(Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1)c1cccnc1 735931398 YLKAXJGRKKZXCG-UHFFFAOYSA-N 427.460 4.475 10 20 IICD O=S(=O)(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)c1cc(Cl)ccc1Cl 742101986 DJZJBYRPNGDAEF-KRWDZBQOSA-N 444.380 4.154 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 743719742 QRGBSAOHXPDXGE-QHCPKHFHSA-N 444.531 4.051 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CSc1ccc([N+](=O)[O-])cc1 743809514 YHPOOZBFMYFTBV-UHFFFAOYSA-N 425.304 4.204 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCCSc2ccccc2)cc1 747721435 JIUSGSQPCVVCHQ-OAQYLSRUSA-N 429.655 4.400 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1 756770144 TVLINLJJSFLPLJ-UWJYYQICSA-N 446.588 4.431 10 20 IICD CSCC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nnc2ccccn12 764721089 HYOTWQARQJEORR-OXQOHEQNSA-N 446.020 4.364 10 20 IICD CC(C)n1ncc2c(C(=O)NCc3cccc(Br)c3O)cc(C3CC3)nc21 765732693 ROOYFJGBWPKJBV-UHFFFAOYSA-N 429.318 4.288 10 20 IICD CCCN(C(=O)NCCCSc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1 769145572 WHSJJBQVVKMKNF-UHFFFAOYSA-N 442.651 4.446 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1-c1ccc(F)cc1 769965354 CALIJBNTFOAPSS-INIZCTEOSA-N 431.414 4.481 10 20 IICD C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 773387654 HFXNXOCIGRVXFT-NRFANRHFSA-N 431.580 4.431 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C(C)C)cc1 774393620 YLGHJQNRTAEGAU-VWLOTQADSA-N 449.574 4.438 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 775666026 QXDHBFLYQOGPFI-HNNXBMFYSA-N 449.183 4.077 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 780775064 KTFGYMCOZZBRGC-OAHLLOKOSA-N 441.528 4.212 10 20 IICD Cc1ccc([C@H](CCn2cncn2)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 783221963 JXGFFMRWZMCFLW-ROKPMTFOSA-N 437.563 4.260 10 20 IICD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783486227 NJAHPVSEZNDCDV-SFHVURJKSA-N 444.535 4.012 10 20 IICD Cc1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cccc1C(=O)N1CCCC1 784060372 XYGRWQLNCWTXNQ-UHFFFAOYSA-N 448.567 4.118 10 20 IICD O=C(NCCCCOc1ccc(F)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 785608864 OOHBFJOUBXWGLT-UHFFFAOYSA-N 442.531 4.168 10 20 IICD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NCc1cccc(Br)c1O 788719384 IAILJQPXZCDUMP-UHFFFAOYSA-N 437.244 4.155 10 20 IICD CCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1C1CCCC1 789624777 LZOVANJYZJTKQW-CALCHBBNSA-N 428.552 4.243 10 20 IICD CNC(=O)c1cc(Oc2cccc(NC(=S)NCCCN(C)c3ccccc3)c2)ccn1 793288697 NJMKVHQQQZYSTI-UHFFFAOYSA-N 449.580 4.046 10 20 IICD COC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2O)c1OC(C)C 799246811 XCSHVKQATKEFNL-UHFFFAOYSA-N 437.290 4.050 10 20 IICD CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801889278 YIIDPYVFCCAHLI-MRXNPFEDSA-N 443.498 4.051 10 20 IICD COc1ccc(N2CCCN(c3nnc(Cc4ccc5ccccc5c4)n3C)CC2)cc1 809810972 UXBBSWXUEKVILF-UHFFFAOYSA-N 427.552 4.284 10 20 IICD COc1cc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)cc(OC)c1OC(C)=O 814289202 KDVHRUXSEONUQK-SXGWCWSVSA-N 435.548 4.092 10 20 IICD O=C1C[C@@H](c2ccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)NC(=O)N1 864044854 MSIOYJCIZZNAJO-QHCPKHFHSA-N 426.520 4.132 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C(F)(F)F 916673495 SWQGFZSPFDLMTO-UHFFFAOYSA-N 425.426 4.436 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc4c(cc3Cl)OCO4)cc2F)C[C@@H](C)O1 916673731 VZDKLSCNVIONEI-BETUJISGSA-N 435.883 4.143 10 20 IICD CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918469315 RHEDGHGUHITUQB-QHCPKHFHSA-N 429.524 4.330 10 20 IICD COc1c(Cl)cccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 920009774 TZASSGPAOQXVSO-UHFFFAOYSA-N 436.807 4.285 10 20 IICD Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)c(C)c1Cl 920880293 BZJJXEPNDUBSSR-INIZCTEOSA-N 438.959 4.470 10 20 IICD CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1339200045 ZZRSQMLTGIVKPB-OAHLLOKOSA-N 435.519 4.119 10 20 IICD Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c1 1800719286 GNSZUMFVLYFRSU-BJWYYQGGSA-N 449.334 4.279 10 20 IICD CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737060 IKODVYOYBQOZRS-HNAYVOBHSA-N 436.980 4.421 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(I)c(Br)c1 48606769 QYHXCKHWDWNNGU-UHFFFAOYSA-N 446.082 4.032 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1F 303338062 KYYKMZQKFMOKPE-IBGZPJMESA-N 432.609 4.445 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)ccc21 483370340 BIGTYNGZYCVLQF-SANMLTNESA-N 449.595 4.016 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)CC2)cc1 726563610 OSFASVDANKSYEC-UHFFFAOYSA-N 447.510 4.485 10 20 IICD Cc1ccnn1-c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726565430 NEFXTUYRCAILJW-UHFFFAOYSA-N 426.467 4.181 10 20 IICD Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 726918448 OLVQDYCWNKJQQR-GASCZTMLSA-N 443.544 4.323 10 20 IICD Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)ccc12 728839717 YDRPJGPEDXCKKA-UHFFFAOYSA-N 448.441 4.137 10 20 IICD Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2c1 730533341 FBOIZBWRKUDTAQ-UHFFFAOYSA-N 438.531 4.372 10 20 IICD COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(N4CCCCC4)=NC3=O)cs2)cc1 733781957 OARHQAZKFDMXJX-PDGQHHTCSA-N 442.566 4.293 10 20 IICD Cc1noc(C)c1C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 737664460 FDRMHZLQUGYIEX-ZSAINHDTSA-N 449.623 4.082 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCC3(c4cccc(F)c4)CC3)cc2F)C[C@@H](C)O1 740030800 JESGUYOYURTIQS-IAGOWNOFSA-N 429.511 4.109 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2nccn12 741969894 PSLDGPGHBWQONU-WYMLVPIESA-N 428.564 4.016 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)nn1 743192766 YDYFPIGIOBXABF-OAQYLSRUSA-N 434.496 4.496 10 20 IICD CCO[C@@H](C)c1noc(CN2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)n1 743376486 HVTLDGMAQGFSSN-INIZCTEOSA-N 436.512 4.090 10 20 IICD CCN(CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1cc(Br)ccc1O 743871220 XGPOGTICGAFHCN-CYBMUJFWSA-N 441.316 4.002 10 20 IICD C[C@@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc(N2CCOCC2)cc1 745781175 YAFJFJDWAXYOJS-CQSZACIVSA-N 439.890 4.338 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCCCC1 750732802 YRFJAAZBAVFSMA-LJQANCHMSA-N 439.579 4.165 10 20 IICD O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754548333 MQTXYPGISJJZLJ-UHFFFAOYSA-N 437.455 4.473 10 20 IICD C[C@H](NC(=O)CCc1cc(Br)ccc1F)c1ccc(N2CCOCC2)cc1 758725675 VFAQRKSQWCJJSN-HNNXBMFYSA-N 435.337 4.235 10 20 IICD COCCSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 759812903 VWNIXCZPXZGQTP-XMHGGMMESA-N 447.507 4.477 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 761961704 GSBWQXIXJLVRBO-UHFFFAOYSA-N 447.583 4.108 10 20 IICD Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 762710677 WUFZMPGDHVYQOM-OAQYLSRUSA-N 447.495 4.463 10 20 IICD COc1cc(Br)cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 766486857 ULGQUYSXSBNFJK-AWEZNQCLSA-N 434.334 4.177 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CN[C@@H](c1ccccc1)C(F)(F)F 769291286 LNWCUNZBYKBYHL-SFHVURJKSA-N 445.279 4.396 10 20 IICD O=C(Nc1cncc2ccccc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O 770129827 OKTABVDYVDJASZ-UHFFFAOYSA-N 425.491 4.055 10 20 IICD CN(c1ccc(CNC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1)C1CCCCC1 770361604 UWXURWMHYQKZHN-UHFFFAOYSA-N 436.600 4.480 10 20 IICD C[C@@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773243696 DEHUGLRZNTZKAO-IAGOWNOFSA-N 445.405 4.402 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1C1CCCCC1 781136221 JVKPMGYDNAJBOR-IAGOWNOFSA-N 428.552 4.379 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 781247148 INUVWVYIYHDLHY-UHFFFAOYSA-N 444.531 4.035 10 20 IICD CCc1nnc(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)o1 784106952 AYHZWQDZNILLHI-UHFFFAOYSA-N 433.512 4.043 10 20 IICD CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 787138266 CSULUCAOSGMEOI-OAQYLSRUSA-N 440.540 4.238 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 790591988 STNWRONBJHLRQK-NFECSFHCSA-N 445.537 4.210 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c(O)c1 797652097 FMINHRSQQQURFG-UHFFFAOYSA-N 435.196 4.384 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)cc2F)C[C@@H](C)O1 798400115 TUTWOZUYGYUTCZ-IAGOWNOFSA-N 438.547 4.201 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C[S@@](C)=O)cc3)cc2Cl)C1 805451168 ZMTNPAUAJPUQEZ-NOVUIFNWSA-N 448.032 4.454 10 20 IICD CC(C)c1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 806007206 BSOCSDTUHCGKDN-GOSISDBHSA-N 443.563 4.177 10 20 IICD C[C@@H](NC(=O)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 807677698 RVDMFRGAYGZYEB-OAHLLOKOSA-N 435.490 4.043 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc(NCc2ccco2)ncc1Cl 807836987 WYKJNSYIEVEGKB-UHFFFAOYSA-N 427.675 4.278 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 807914197 DIJJWQLELYHVJL-CTNGQTDRSA-N 447.501 4.182 10 20 IICD COc1ccc(-c2nsc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1 809928168 LRDWLYLNYOPHBE-SFHVURJKSA-N 440.525 4.132 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 876880381 ILYNLZDSJVGFKV-UHFFFAOYSA-N 448.611 4.448 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 915063094 BHQKBNKYOKWMEX-UHFFFAOYSA-N 442.610 4.043 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2C)CC1 917192484 MNZWLDGOEBGODO-UHFFFAOYSA-N 434.609 4.268 10 20 IICD Cc1nc2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2n1-c1ccccc1 917706613 BKVNEYXHWGCHIE-UHFFFAOYSA-N 444.510 4.240 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)C1 918027219 GNYOHXWGCNSTSJ-FQEVSTJZSA-N 440.547 4.281 10 20 IICD Cc1ccc(C)c(OCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918612287 IMVINOPWGZJHJU-UHFFFAOYSA-N 436.474 4.244 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1 920055940 WORMWYXUBVHGHA-OAHLLOKOSA-N 439.453 4.284 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 4791799 HSCNRNFNXFVRRE-UHFFFAOYSA-N 436.478 4.048 10 20 IICD O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1Cl 522365966 MELABUJVNWIGJC-UHFFFAOYSA-N 444.925 4.398 10 20 IICD O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1CCc1ccccn1 726196254 KJKUZWIRLNKAEW-GDNBJRDFSA-N 437.449 4.035 10 20 IICD CC(C)NC(=O)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])c1 726594099 DJMRZLZTJIBFRI-UHFFFAOYSA-N 448.470 4.415 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1Br 727176226 HYMPWGVWZHQQCX-DHDCSXOGSA-N 443.432 4.247 10 20 IICD CC[C@@H]1CCCN1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 727733709 NYZPVDZINCMGPU-MKRLJBPISA-N 439.400 4.051 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc21 729040536 UJKFGCFKNNBAQU-OAQYLSRUSA-N 447.583 4.321 10 20 IICD Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 730119768 PDGSCHHTHPOQKH-LZWOXQAQSA-N 434.581 4.415 10 20 IICD O=C(NC[C@]1(O)CCCc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 731407933 QVSGYSXEDDGBEG-RUZDIDTESA-N 428.492 4.381 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cn2)cc1C 734701582 GUOIDUNPSOQERK-UHFFFAOYSA-N 432.524 4.120 10 20 IICD O=C(NCCCSc1nccs1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742669368 JFCVUHHNGLIQDD-MRXNPFEDSA-N 446.425 4.122 10 20 IICD CN(C)CCOc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743102425 HIXLTYGPHSBUBU-SFHVURJKSA-N 448.514 4.019 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccn(-c2cc(C)ccc2OC)n1 743809063 KYLUPLPXQPWSTG-UHFFFAOYSA-N 444.329 4.320 10 20 IICD CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H](Cc1ccc(F)cc1)C(C)C 745747161 UIGZBYWUTSWXRV-XMMPIXPASA-N 427.564 4.461 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 745828717 SZCQGRGEXQEXBX-VWLOTQADSA-N 444.579 4.135 10 20 IICD COc1ccccc1-c1noc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 745919854 MWXKUSVDRDSQEE-MRXNPFEDSA-N 435.528 4.246 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)n2)cc1C 746793606 PLQBAJHXKHABFZ-UHFFFAOYSA-N 434.565 4.064 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 747462395 KKKIUMLHJFZIRJ-UHFFFAOYSA-N 433.508 4.151 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1cccc(Br)c1 747473565 HPBSGXQSXVYYBW-YADHBBJMSA-N 443.385 4.078 10 20 IICD C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751425546 JFGOQABTTASLJY-YJBOKZPZSA-N 442.562 4.273 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3ccn(-c4c(F)cccc4F)n3)cs2)cc1 751938391 ZQQAQNSGQARDQY-UHFFFAOYSA-N 426.448 4.137 10 20 IICD C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2c(cc1O)CCCC2 756690078 YFUMLGWNDICEIJ-GOSISDBHSA-N 428.598 4.023 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)cc1N1CCOC1=O 756840401 LWPLIZPHHFTQRP-SNVBAGLBSA-N 425.254 4.432 10 20 IICD COc1cc(N2CCN(C(=O)/C=C(\C)c3cccc(Cl)c3)CC2)cc(OC)c1OC 759222414 YFRSAHCHETVHRP-FOWTUZBSSA-N 430.932 4.118 10 20 IICD Cc1cc(C(=O)CSc2nnc(CO)n2C2CC2)c(C)n1-c1ccc(F)c(Cl)c1 760181341 AKQPYHASAFTTRW-UHFFFAOYSA-N 434.924 4.280 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCC3CC(OC(C)(C)C)C3)cc2F)C[C@H](C)O1 763197452 UODMASOLBQPIAM-VWYCLODISA-N 435.584 4.222 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1OCC(F)(F)F 764856022 GCFDLLHBTHHMIZ-HNNXBMFYSA-N 442.453 4.463 10 20 IICD CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 765129045 ZJXQASXEJKJKRI-KURKYZTESA-N 449.592 4.052 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1Br 767382180 NZUMUNOBTJARFW-UHFFFAOYSA-N 432.362 4.240 10 20 IICD O=C(CNc1ccccc1Oc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 772902819 YOZYJGOCEVKIQG-UHFFFAOYSA-N 435.499 4.183 10 20 IICD Cn1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1-c1ccccc1 775493911 YAKHTHJRLIIKQQ-KRWDZBQOSA-N 426.467 4.087 10 20 IICD CC[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(Br)ccc1O 775493956 XLUJECGCENEVHL-HXUWFJFHSA-N 447.373 4.096 10 20 IICD COC(=O)c1cc(Br)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)s1 777637473 JQXXAQHSPJETNH-UHFFFAOYSA-N 448.360 4.235 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 777826629 OVRCDJPQRCHFTH-OALUTQOASA-N 427.508 4.397 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 779046091 ACXJCWPBOVSULV-QGZVFWFLSA-N 425.520 4.246 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cn(C)nc3-c3ccccc3)cc2F)C[C@@H](C)O1 779628015 PLCWHRQALLGMQW-CALCHBBNSA-N 437.519 4.162 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2Cl)cc1OC 790054452 OCVMIFDJZKWLCI-UHFFFAOYSA-N 446.978 4.034 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3ccsc3Cl)SC2=S)c1 790106863 YEFDMOFBCSJGGG-MDWZMJQESA-N 445.012 4.058 10 20 IICD CC1(C)CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 790144256 NAJPAWDRMMDVQM-SQFISAMPSA-N 440.681 4.474 10 20 IICD CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c2)C1=O 794257009 GORAZEALOYPWEB-NRFANRHFSA-N 434.471 4.320 10 20 IICD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 802547909 JOVJQYHGGLIYDX-UHFFFAOYSA-N 432.499 4.051 10 20 IICD O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 802839663 MFAHOXXFHAWYAZ-YADHBBJMSA-N 444.522 4.057 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc2ccccn2n1 804378459 RKSIZEJPOCMQMB-QINSGFPZSA-N 428.564 4.016 10 20 IICD O=C1COc2c(cc(Cl)cc2NC(=O)N(Cc2ccco2)Cc2ccccc2O)N1 806757416 JOPWOJOYFLUBGW-UHFFFAOYSA-N 427.844 4.204 10 20 IICD C[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1)c1ccc(N(C)C)cc1 807140790 OAQZBNPEQXMCTQ-OXQOHEQNSA-N 427.549 4.027 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 807505179 IBVIMMUPZPWYSR-FYYLOGMGSA-N 437.559 4.227 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCC1CCOCC1 814439782 VECXPAPEMMIPKY-DTQAZKPQSA-N 425.597 4.089 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)OCCCO3)c(C)n1-c1ccc(OC(F)F)cc1 815157950 YOIIGFQCLXNDBH-UHFFFAOYSA-N 434.483 4.107 10 20 IICD CCCCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1 832926826 DZBVHWPZRGKJSZ-NRFANRHFSA-N 437.005 4.106 10 20 IICD CCN(Cc1ccccc1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914501317 CREJMAPLPIQYGU-UHFFFAOYSA-N 428.444 4.341 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3F)sc2C)cc1 914789811 WDRGCGJDIZZHKF-UHFFFAOYSA-N 449.529 4.416 10 20 IICD O=C(NCc1ccc(Cl)s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916595156 YTBYANJDHPMLHY-UHFFFAOYSA-N 433.883 4.256 10 20 IICD O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccco1)Cc1ccccc1O 916670370 JILRWKRYCJKEOY-UHFFFAOYSA-N 436.436 4.216 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(F)cc1Br 916681324 RGSYFWVSNXQWMN-UHFFFAOYSA-N 440.288 4.010 10 20 IICD COc1ccccc1N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 917776756 DIELWHXAADURHQ-LGMDPLHJSA-N 432.592 4.401 10 20 IICD COc1cccc(-c2nc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)cs2)c1 920473780 WXXRLQCKLILMRT-GZTJUZNOSA-N 431.608 4.114 10 20 IICD CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 921049403 DFNAZCCNLYUEMK-UHFFFAOYSA-N 436.474 4.372 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1116584311 DLUTWZMLVXXGJF-NHCUHLMSSA-N 443.632 4.116 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(C)c4ccccc43)cc2Cl)C1 1256594720 OHPMIFKTUIADFC-APWZRJJASA-N 425.960 4.343 10 20 IICD O=C(CSc1ccc(Br)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 1328762416 KIFHISROVWSWGB-UHFFFAOYSA-N 449.414 4.066 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828485842 HOOJGZBBJDZBKH-MOXGXCLJSA-N 448.991 4.421 10 20 IICD CCn1c(S[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1C1CC1 17769586 DVJNFUOVDUWAJK-ZDUSSCGKSA-N 446.532 4.070 10 20 IICD COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 106073590 JEYYSRCEURZASW-UHFFFAOYSA-N 438.959 4.109 10 20 IICD COc1ccc(N2CCC(NC(=O)CSc3ccc(Br)cc3)CC2)cc1 110355412 GUOKKNWFAUNJLH-UHFFFAOYSA-N 435.387 4.335 10 20 IICD CCOc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc(Br)c1O 206066154 MCIYAQXBAHUAOW-XNTDXEJSSA-N 425.348 4.446 10 20 IICD COc1cc(CNCc2ccc(N(C)C)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 237319219 TUGUHECMCIUMLM-UHFFFAOYSA-N 431.386 4.039 10 20 IICD O=C(Nc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1)C1=S=CC=C1 501761780 CVFSVGCQGDLPLT-UHFFFAOYSA-N 428.517 4.218 10 20 IICD C[C@H](NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 726613125 BWCGLIJFXDPXDK-JHVJFLLYSA-N 444.373 4.202 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)oc1C 726626712 KEGLZFPUSKUDEA-AQTBWJFISA-N 430.551 4.102 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(-n2cccn2)c(Cl)c1 727590792 GATHHQMOQWTEMY-UHFFFAOYSA-N 439.947 4.056 10 20 IICD COc1ccc(O)c(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 734017579 OKAWCUNURNPLJN-UHFFFAOYSA-N 437.546 4.481 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)CC2)cc1 734276323 LMCUNJFFSQIJHV-UHFFFAOYSA-N 433.556 4.130 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 734687202 NUEHMBZCMHXBAD-UHFFFAOYSA-N 446.954 4.414 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1Cl 735517264 BBDQITHGQPPJLV-HOCLYGCPSA-N 449.382 4.256 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(NC(C)=O)c3)sc2C)cc1 737383161 XGFPSJIMRFECDP-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CCc1nc(COc2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)no1 743428860 OTBFLTWOCVHPSP-UHFFFAOYSA-N 433.464 4.352 10 20 IICD CCO[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCCC2 743702616 QYRWTEVUBWMXBF-VQTJNVASSA-N 437.531 4.294 10 20 IICD CS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1Br 749124712 CHGNWZIFDUHYBH-UHFFFAOYSA-N 437.359 4.095 10 20 IICD O=C(NCC1([C@H](O)c2ccccc2)CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752663053 DNRLXLPSFCBFSV-OAQYLSRUSA-N 445.510 4.070 10 20 IICD COCC[C@@H](Cc1ccco1)NCc1cc(Br)cc(Br)c1O 753571302 UNSDCDJDPYKSHF-ZDUSSCGKSA-N 433.140 4.248 10 20 IICD C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)cc(Cl)c1O 756432295 PKSIBMBBTVVDBO-AWEZNQCLSA-N 439.781 4.491 10 20 IICD C[C@@H](NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(Br)cc1O 756461297 VHDPNNLNTUASJC-CQSZACIVSA-N 434.330 4.282 10 20 IICD C[C@H](NCc1cccc2c1OCO2)c1cc(Br)cc(Br)c1O 756461426 SLNBSZUVUHKTTE-VIFPVBQESA-N 429.108 4.497 10 20 IICD C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1O 756570302 AJNRXMGVBDAQAH-MRXNPFEDSA-N 425.504 4.137 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 761643212 DEWVIBIKVWZWLZ-JOCHJYFZSA-N 445.519 4.439 10 20 IICD Cc1cc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(C)n1-c1ccc(Cl)cc1 762246603 HEAIQLGNLVXDNP-UHFFFAOYSA-N 443.035 4.378 10 20 IICD C[C@H](NC(=O)CCCc1ccccc1Br)c1ccc(N2CCOCC2)cc1 765137913 ZTPUWLQTBQKPSL-KRWDZBQOSA-N 431.374 4.486 10 20 IICD Cc1ccc(-c2nc(CCNC(=O)NCc3cccc(Br)c3O)co2)cc1 765482213 RGZFSORAQDZTDK-UHFFFAOYSA-N 430.302 4.160 10 20 IICD COc1ccc2c(c1)CCCCN2CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 766271248 YOMNGELUDKSNGJ-UHFFFAOYSA-N 435.446 4.454 10 20 IICD COc1ccc(F)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 768911384 NFHQGRWTXHSAQQ-UHFFFAOYSA-N 427.398 4.011 10 20 IICD O=C(Nc1ccccc1)NC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 769105745 GXECNMMAKUMHRJ-UHFFFAOYSA-N 437.544 4.371 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@@H]1CCCc2ccccc21 769654377 SPWXXXITPSTNPO-LJQANCHMSA-N 442.562 4.404 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1csc(-c2cc(Br)cs2)n1 770630954 OLFRCLVRZQWXDM-UHFFFAOYSA-N 425.329 4.018 10 20 IICD CCN1CCN(c2ccc(CN[C@H](c3ccc4nc(O)oc4c3)C(C)C)cc2F)CC1 774407614 BUSKVFHOKBEOFS-QHCPKHFHSA-N 426.536 4.301 10 20 IICD C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc(N(C)C)cc1 775402526 FKQOLOHIAOMDNP-MRXNPFEDSA-N 427.508 4.372 10 20 IICD CC(C)C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 776937335 CVWQCEFWWGBPRA-FXAWDEMLSA-N 425.520 4.150 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 778913838 DUXTUIVTNMRVBW-FQEVSTJZSA-N 446.272 4.436 10 20 IICD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783486226 NJAHPVSEZNDCDV-GOSISDBHSA-N 444.535 4.012 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 786874247 PVPWTGWHVURUSA-UHFFFAOYSA-N 440.493 4.223 10 20 IICD CCOc1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c(O)c1 793370324 QKCHZSRBVOUDIS-INIZCTEOSA-N 434.252 4.395 10 20 IICD CC(C)[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccnc1 797894167 UWNQBYAJFZGMND-VXKWHMMOSA-N 440.588 4.269 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 802609712 JPVMDGFCECSPQN-UHFFFAOYSA-N 442.409 4.240 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 804975354 LMYCABULCVQTEP-OAQYLSRUSA-N 449.473 4.372 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C[S@](C)=O)cc3)cc2Cl)C1 805451172 ZMTNPAUAJPUQEZ-ZQHDKMAOSA-N 448.032 4.454 10 20 IICD CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1F 806869376 RSPAJLDKDDAENX-UHFFFAOYSA-N 425.504 4.052 10 20 IICD COc1ccc(-c2ocnc2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 808282081 XHQUEAFILWVJBN-HOTGVXAUSA-N 439.487 4.033 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)CC)c3)n2)cc1 808525485 BKKMNYFRJPPGNA-UHFFFAOYSA-N 429.567 4.265 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c(Cl)cc1Cl 811702962 ILVVHRNCWJHBDN-UHFFFAOYSA-N 448.324 4.211 10 20 IICD COCC1=CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)CC1 812384602 SXOCCBKLZOOBQA-QFIPXVFZSA-N 447.583 4.172 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)CCc2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1 812606554 LSCILBSPHHFEDX-INIZCTEOSA-N 443.450 4.233 10 20 IICD Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccc(Br)cc1 900773429 HEBILPARCLZNGN-UHFFFAOYSA-N 442.361 4.105 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1OCCO 919985753 WFFIWCVFJXQZLH-UHFFFAOYSA-N 428.916 4.057 10 20 IICD COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 1320278031 QFLIHJYFHFDWTM-UHFFFAOYSA-N 446.507 4.444 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 1320397005 AOXLKTSZHYVNHN-PKQGGOQBSA-N 429.557 4.075 10 20 IICD O=C(C1=CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737925 YPMQTYLYNNHABV-LJQANCHMSA-N 432.948 4.095 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)c2C)cc1 104910952 JKHKLDZYEZPNJM-UHFFFAOYSA-N 444.535 4.390 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccccc2N(C)Cc2ccccc2)n(C)c2ccccc12 472783205 DBXDEASIKQGHBC-UHFFFAOYSA-N 440.547 4.378 10 20 IICD CC(C)COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccco1 725868555 WRNDFUUNNOQERM-UEXGIBASSA-N 447.551 4.245 10 20 IICD O=C(NCc1ccc(OCC(F)(F)F)nc1)N(Cc1ccco1)Cc1ccccc1O 726092201 QCHILIAVQJFNER-UHFFFAOYSA-N 435.402 4.233 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)cc1 726727052 ZKGFFGSZUFAAKC-UHFFFAOYSA-N 443.503 4.318 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3F)ccc21 728638022 VEMMEQVNAAXTRM-HNNXBMFYSA-N 430.451 4.367 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3nc(C(C)(C)C)cs3)cc2F)C[C@H](C)O1 729497073 OOUMHDNXFSOXSD-GJZGRUSLSA-N 434.581 4.193 10 20 IICD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 730418060 XSNFVLVGXAFYAV-UHFFFAOYSA-N 448.469 4.478 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccn(-c3ccccc3N)n2)c(C)n1-c1cccc(F)c1 735957570 ZCWQLTJKVGURIV-UHFFFAOYSA-N 432.455 4.041 10 20 IICD COc1ccc2cc(/C=C\C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2c1 736194748 CLPZXHFZWZEHRU-WZUFQYTHSA-N 430.548 4.387 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 736402477 HHLYPEPBODNHKE-OYHNWAKOSA-N 449.954 4.016 10 20 IICD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 740482877 HFBSDJKFWDNPLR-NRFANRHFSA-N 427.501 4.014 10 20 IICD Cc1cc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(C)n1-c1ccccn1 741703126 KWVWCKIDNJCCLF-KRWDZBQOSA-N 436.943 4.365 10 20 IICD COc1ccc(Br)c(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1 747698481 KLZZGAWVSCQZBA-OQLLNIDSSA-N 443.432 4.247 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(F)c1 748114110 QXEHLKKSDGORIV-UHFFFAOYSA-N 427.520 4.200 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3sc(C(=O)OC)cc3OC)n2)s1 749008304 UXPZYIZIKWCDPU-UHFFFAOYSA-N 444.581 4.092 10 20 IICD Cc1cc(-c2csc(NC(=O)C3(C(=O)NC4CC4)CC3)n2)c(C)n1-c1ccc(F)cc1 749719943 RWHDPHYIFZQEPK-UHFFFAOYSA-N 438.528 4.354 10 20 IICD COCCCOc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 751012567 YIYNWKXCVTXPHI-SFHVURJKSA-N 449.498 4.494 10 20 IICD O=C(Nc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1)c1cccnc1 751299160 JSASYUVASSESAN-UHFFFAOYSA-N 434.459 4.296 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC1CCC1)CC(F)(F)F)c2[N+](=O)[O-] 752417789 STNIDVUWSPEYQB-UHFFFAOYSA-N 446.381 4.175 10 20 IICD C[C@@H](NCc1cccc2c1OCO2)c1cc(Br)cc(Br)c1O 756461423 SLNBSZUVUHKTTE-SECBINFHSA-N 429.108 4.497 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3Br)cc2)CC1 757842099 NSGOZVNCLPJBDX-UHFFFAOYSA-N 448.336 4.079 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N([C@@H]3CCOc4ccccc43)C1=O)OCO2 758818221 BDKCEIRLRXJYHJ-NGMPYOPUSA-N 427.503 4.149 10 20 IICD O=C(NCCCSc1nccs1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 759591114 PZQAOIWIUHGIKS-HNNXBMFYSA-N 447.561 4.404 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 765679413 SQSKMLRBIVCIDR-NRFANRHFSA-N 448.489 4.292 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768916015 OUIMTDKBIPQERJ-OAHLLOKOSA-N 427.854 4.162 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1csc(-c2ncccc2F)n1 769249571 KMDJWSDBQFVXPC-UHFFFAOYSA-N 429.432 4.372 10 20 IICD C[C@@H](NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 772959744 NLVQBUARQXPFGC-KOSHJBKYSA-N 447.982 4.040 10 20 IICD Cc1cc(CC(=O)N2CCS(=O)(=O)c3ccccc3C2)c(C)n1-c1ccc(Cl)cc1 773418053 VUIUFVMEVBYCDT-UHFFFAOYSA-N 442.968 4.106 10 20 IICD CN1C(=O)CCc2cc(/C=C3\SC(=S)N([C@@H]4CCc5ccccc5C4)C3=O)ccc21 773902552 XHBYUDLJULZXEX-UOIFGXKSSA-N 434.586 4.354 10 20 IICD C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccc(N(C)C)cc1 773988641 WLVMQNDODDDTCR-GOSISDBHSA-N 437.565 4.069 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 775828651 TZRKAOCWCGDWIT-UHFFFAOYSA-N 435.303 4.004 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 777827255 YOEZOYRRYKCBSE-SFHVURJKSA-N 443.478 4.481 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2ncc[nH]2)sc(C)c1-c1ccccc1 778224782 FIQGEIZVMOFNNA-QGZVFWFLSA-N 438.553 4.399 10 20 IICD CCC(CC)n1ccc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 785407037 CKNRKPKLPXXSER-UHFFFAOYSA-N 449.554 4.169 10 20 IICD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 789590590 UUOGQVZWHBJJKQ-LJQANCHMSA-N 439.519 4.496 10 20 IICD COc1cccc(C(=O)CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 794238495 LMZHBGDCHFSMEN-HDICACEKSA-N 442.531 4.117 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2Cl)C1 800049189 HFKSKIWPDALNAR-MRXNPFEDSA-N 434.989 4.051 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Cc3csc(N4CCCC4=O)n3)cc2Cl)C1 800050279 RNCGEKQNXUOTFW-HNNXBMFYSA-N 447.004 4.019 10 20 IICD COc1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1O 800540269 BGKHAJYEMCYAHP-GOSISDBHSA-N 433.936 4.243 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCN(C(=O)c4ccccc4)C3)ccc21 801254813 GUCBKMUQILEYKH-FQEVSTJZSA-N 434.536 4.224 10 20 IICD CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cc1F 805024957 LXRJIXIFAXVIAL-JOCHJYFZSA-N 429.511 4.085 10 20 IICD COCCOCc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 809144267 IZPQQTYGVNDBQA-MOSHPQCFSA-N 427.547 4.458 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1O 816659090 AOZYVIDBUPLHCD-UHFFFAOYSA-N 433.464 4.053 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cc2C[C@@H]1C 831889545 BDTHCDHMSYQGQT-ZDUSSCGKSA-N 427.551 4.217 10 20 IICD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(N2CCCCC2)cc1 844263389 ZPJBBEBXSAANIM-UHFFFAOYSA-N 426.517 4.054 10 20 IICD O=C(NCc1ccc(CN2CCCCC2)cc1)NCc1ccc(N2CCSCC2)cc1 916216654 NSCUOZHIVKQTAI-UHFFFAOYSA-N 438.641 4.225 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc(N(C)C)cc3)C1=O)O[C@H](C)C2 916548899 CWMFLRVSKRKUNN-HMHKGCENSA-N 426.563 4.490 10 20 IICD O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918138819 WLSMLKQFRDPHSV-UHFFFAOYSA-N 448.498 4.236 10 20 IICD CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1324231745 ZZKMKQMWJVDEAD-HXUWFJFHSA-N 446.551 4.097 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCC=CO3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776725 OSBUEBKBFQOXIB-IBGZPJMESA-N 442.899 4.192 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1 726628107 UBRKRSKEWLNKHD-VGOFMYFVSA-N 437.315 4.093 10 20 IICD CCOc1cccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1OC(F)F 727176360 KCBKHCOJXWJTBZ-GDNBJRDFSA-N 444.569 4.476 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC[C@H](CCO)C2)sc(C)c1-c1ccccc1 729545908 ZDTHKEWMKALXSZ-GOSISDBHSA-N 444.597 4.323 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(C(=O)c2ccccc2)c1 729580471 RSPLNDIYWXTCBC-UHFFFAOYSA-N 447.510 4.340 10 20 IICD CN(C)c1ccc(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1F 730123177 MZXACUYAQZDNFB-UHFFFAOYSA-N 432.971 4.257 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)cc1 730907799 LVCNAEXYQJVTIE-UHFFFAOYSA-N 430.637 4.098 10 20 IICD CC[C@H](CC1CCCC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 733924344 GFVQXVJPVAGZCW-OAQYLSRUSA-N 439.579 4.165 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 740918605 JVNBRRGKZCSIBV-GHTZIAJQSA-N 431.939 4.043 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 741066001 RPFCFSVQGRNLAD-UHFFFAOYSA-N 445.567 4.208 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cccc(F)c2)NC(=O)OC(C)(C)C)cc1 742754547 PTCBHHHJZWFUNU-XEGHISHKSA-N 427.520 4.287 10 20 IICD CNC(=O)CCOc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743149573 XWKHIIWXCXDSKM-UHFFFAOYSA-N 425.529 4.274 10 20 IICD Cc1ccc(O[C@@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 743554364 CANITBCROMWCKS-GBESFXJTSA-N 429.536 4.014 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1F 748972566 ZIYDRPRSSUIFEM-HXUWFJFHSA-N 440.563 4.024 10 20 IICD O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 751137477 SFLPQNGDCLQPAF-CQSZACIVSA-N 449.878 4.434 10 20 IICD C[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(Cl)cc1 751936829 LVWHMFFLYJHZKU-ZDUSSCGKSA-N 429.929 4.004 10 20 IICD Cc1cc(C(=O)COC(=O)CCOC2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1 753541827 MCHGUWCCMUGNTC-UHFFFAOYSA-N 437.895 4.198 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(N2CCCC2)c1 755310810 QHTICOCKEWJZHT-HXUWFJFHSA-N 436.600 4.056 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc4c(cc3O)CCCC4)CC2)cc1 756494534 FRNXAGMQCUANDX-GOSISDBHSA-N 442.625 4.384 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(Br)cc(F)c1O 756708333 POAPLIYJAHQTLF-MEBBXXQBSA-N 427.701 4.403 10 20 IICD C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(OC(C)(C)C)CC1 759388359 HCTKPGFEDLVZPM-MRXNPFEDSA-N 434.536 4.069 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1COc2ccc(Br)cc21 759895833 ICOUVVNOIWCYFL-HNNXBMFYSA-N 435.281 4.274 10 20 IICD CC[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1=O 761089976 GOYWGZTXRVJDBE-SVMVAKDDSA-N 439.531 4.355 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 764701148 NSYWAQWUFSCEJN-CPJSRVTESA-N 444.019 4.209 10 20 IICD Fc1cc(CNC2CCN(Cc3c(F)cccc3Cl)CC2)ccc1N1CCOCC1 765118196 KECQEPMRGXTYIR-UHFFFAOYSA-N 435.946 4.209 10 20 IICD Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2cc4c(cc2O)OC[C@H]4O)C3)cc1 768452001 MXMGIUGKCIYXOK-XMMPIXPASA-N 445.519 4.329 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2coc(CC)n2)sc(C)c1-c1ccccc1 772397426 OWPNRWYIDFIQIV-UHFFFAOYSA-N 442.493 4.246 10 20 IICD C[C@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(N(C)C)cc1 773083950 MTEOCHWMSWTMJB-AWEZNQCLSA-N 448.482 4.209 10 20 IICD O=C1OCc2c1cccc2S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 776743266 FQSZYFGRJHWRPN-UHFFFAOYSA-N 438.486 4.140 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F 779538562 WOBIYXBTBCFTSU-ZUURVNMSSA-N 431.414 4.333 10 20 IICD CON(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 781027934 BXDDYWPHZQZDKU-LGMDPLHJSA-N 432.592 4.320 10 20 IICD COc1cccc(Nc2ccccc2C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 781271098 SPPYIQCPKVQDLR-UHFFFAOYSA-N 444.535 4.360 10 20 IICD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896036 JONJBEPRPWVQDS-UHFFFAOYSA-N 444.915 4.132 10 20 IICD COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(C(F)(F)F)c1 784108868 QZAHUSQYSILEQJ-UHFFFAOYSA-N 435.446 4.458 10 20 IICD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)C1=O 790608458 GSGAKXNYAGRTQQ-AREMUKBSSA-N 432.568 4.192 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCOC4=O)c3)cc2Cl)C1 800048472 BZYKLENBNMBTSL-INIZCTEOSA-N 427.932 4.463 10 20 IICD Cc1cc(C(=O)N[C@H](c2nncn2C)C(C)C)c(C)n1-c1ccccc1Br 804261613 RAJXZYZYCISMQM-SFHVURJKSA-N 430.350 4.112 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCC3CCC(F)(F)CC3)cc2Cl)C1 806770906 FDVPYRYVDJHBJN-HNNXBMFYSA-N 441.950 4.134 10 20 IICD O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)c(S(=O)(=O)N2CCCC2)c1 808090294 XWFAIBHEXULRBS-UHFFFAOYSA-N 446.312 4.004 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCC2(c3ccc(Br)s3)CCC2)c1O 809689552 QIFCOFKVAZDOLS-UHFFFAOYSA-N 427.320 4.345 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 813589512 AZBMDTZBWNUQAX-NXLNFEJXSA-N 447.576 4.003 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3nc(C4CC4)ncc3Br)cc2)CC1 813810682 BMQQBCBJBZODQJ-UHFFFAOYSA-N 429.362 4.283 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 814317264 DYRUYUVVUSCTLP-KXBFYZLASA-N 443.473 4.152 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 913514878 UHKXXMNIOAHVPA-WJDWOHSUSA-N 448.547 4.478 10 20 IICD CCN(CC)C(=O)CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 915626246 CIRUSTNWWPMYIM-UHFFFAOYSA-N 434.378 4.235 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 916218404 NFXMYHQCQXPWNO-NRFANRHFSA-N 425.964 4.461 10 20 IICD CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 916680499 KJOVHRLUIJMFPI-IAGOWNOFSA-N 442.535 4.418 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc2F)C[C@@H](C)O1 919791089 AUGLZNIKNKMKHO-WHSLLNHNSA-N 445.510 4.292 10 20 IICD C[C@@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(N2CCOCC2)cc1 920872253 QRKRGNZQVFKUJX-CQSZACIVSA-N 438.391 4.250 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2c[nH]nc12 1318364471 RXQDDUKDZSWXOV-GDNBJRDFSA-N 428.564 4.245 10 20 IICD COc1cc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)ccc1OCc1c(C)noc1C 24378480 YKMAHLUIKWGZOF-UKTHLTGXSA-N 435.524 4.275 10 20 IICD CCn1c(SCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnc1-c1ccco1 27156961 QPUJWCBIGNJVPP-UHFFFAOYSA-N 439.585 4.299 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc(Oc2cnccn2)cc1 237829842 UWNBJGSGMDTSDR-UHFFFAOYSA-N 444.457 4.414 10 20 IICD Cc1cccc(C)c1-n1nnnc1CN(Cc1cccs1)c1ccc2c(c1)OCCO2 727141607 CGAUSBFGKBXNHQ-UHFFFAOYSA-N 433.537 4.319 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730518145 CZLPELLIRKRERX-UHFFFAOYSA-N 443.519 4.282 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3cccc(CN4CCCC4=O)c3)cc2)CC1 731048271 GCIMTYFNXWESMO-UHFFFAOYSA-N 434.584 4.045 10 20 IICD C[C@@H](NC(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1 731222679 QWBHTGNCEPUDSR-LJQANCHMSA-N 425.573 4.260 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1cccc(Br)c1 732151144 JCUJMPCLAYYGBA-LJQANCHMSA-N 444.373 4.084 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Oc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 733098287 ZNSFOPJPJSTOHP-ZNMIVQPWSA-N 438.902 4.316 10 20 IICD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCSc2nccs2)cc1 733883867 FLHPOVMBBVOARU-UHFFFAOYSA-N 447.607 4.165 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 734701863 MADMHLNETWWBIL-UHFFFAOYSA-N 438.915 4.157 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](c4ccc(F)cc4)C[C@H]3C)cc2F)CC1 737049138 JDBFASSBTLPTGC-NQIIRXRSSA-N 442.554 4.194 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 741097356 CSUSPQADNHUYPK-UHFFFAOYSA-N 433.458 4.263 10 20 IICD Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 742799930 NVSCUZFOEOKCEU-GOSISDBHSA-N 440.494 4.489 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC[C@H]2CCCO2)cc1 742800407 QZHOTAQWQHFLLP-PGRDOPGGSA-N 446.494 4.245 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1S(=O)(=O)N(C)C 743068316 CONJBOURUAFYRS-UHFFFAOYSA-N 445.585 4.318 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(F)c(Br)c1 743230327 XUOJOVGJSOMRFS-UHFFFAOYSA-N 440.288 4.010 10 20 IICD O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCc1ccc(N2CC=CC2)cc1 743624904 UVOBLTXIVJJLSR-UHFFFAOYSA-N 440.853 4.008 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(NS(=O)(=O)c2cccs2)c1 743718680 JDISIXIAAGIZOH-UHFFFAOYSA-N 442.562 4.063 10 20 IICD O=C(Nc1ccc2ccccc2c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743974683 DIBLDLZUBUFBKB-LJQANCHMSA-N 439.462 4.165 10 20 IICD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 746803383 UZMRMQVMIQJAEU-UHFFFAOYSA-N 428.508 4.448 10 20 IICD COc1ccc(Br)c(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c1 747700304 ZCOVVIOHZVCEFH-ZSOIEALJSA-N 437.340 4.267 10 20 IICD Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3O)ccc2C)c(C)c1 748349268 DGXUVZZPGJMBBH-UHFFFAOYSA-N 438.549 4.357 10 20 IICD CCn1nc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1C1CC1 750143974 RGGRJOWBROWANR-WJDWOHSUSA-N 446.623 4.462 10 20 IICD Cc1cccc(NC(=O)CSCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1 751301295 BZTPHXHNZKLEJZ-UHFFFAOYSA-N 431.521 4.015 10 20 IICD CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752028035 AYHKKOZOAHSYED-JXFKEZNVSA-N 425.520 4.007 10 20 IICD Cc1ccc2cccc(S(=O)(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2n1 754028594 XOIDBJKOWCOPFH-UHFFFAOYSA-N 447.507 4.092 10 20 IICD Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 754483044 NIWJBLNVVMUVLO-UHFFFAOYSA-N 440.544 4.005 10 20 IICD CC(=O)c1cc(F)cc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1O 755155468 FQAXIYMEPAQBLX-JTQLQIEISA-N 434.265 4.397 10 20 IICD C[C@@H](NC[C@H]1CSCCS1)c1cc(Br)cc(Br)c1O 756649924 SJEWACJPQMWNAB-SCZZXKLOSA-N 427.227 4.416 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2O)cc1N1CCOC1=O 756840399 LWPLIZPHHFTQRP-JTQLQIEISA-N 425.254 4.432 10 20 IICD CS(=O)(=O)c1cccc(Cl)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758327872 YTQPTDDORYLWNT-AWEZNQCLSA-N 444.931 4.104 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 758565840 LIDANBJKRFVLLR-UHFFFAOYSA-N 446.520 4.302 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 759577714 CSCBIKHQFBFBRK-LYLYKKCESA-N 436.291 4.325 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 759601403 JIELLXASPNGLMW-IBGZPJMESA-N 440.594 4.175 10 20 IICD CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc21 760304328 JKWHNDHNLGCGMO-UHFFFAOYSA-N 433.942 4.494 10 20 IICD CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761983379 QZBQKZZMRLLHDG-QGZVFWFLSA-N 449.020 4.384 10 20 IICD Nc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1Cl 763917271 IQLTYKXEPFRUTR-UHFFFAOYSA-N 448.272 4.361 10 20 IICD CN(C)c1nnc(-c2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)o1 767872708 OVNPCXKQVPOTIJ-UHFFFAOYSA-N 433.468 4.336 10 20 IICD CCOc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)c1 769704477 ACJKSTPCPOEHCE-UHFFFAOYSA-N 432.523 4.214 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncoc1-c1ccc(F)cc1 771419602 YPLRMUYPELHKHH-SFHVURJKSA-N 429.879 4.234 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cnn(Cc4nnc5n4CCCC5)c3)c2C)c1 773228502 DJARYGVPMTVVNK-UHFFFAOYSA-N 443.555 4.136 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 778324058 BFUYEPIPZYWTSD-UHFFFAOYSA-N 429.217 4.203 10 20 IICD Cc1cc(C(=O)N2CCC(Cn3cncn3)CC2)c(C)n1-c1ccc(Br)cc1 779097288 GTRZNVXHRSHEFB-UHFFFAOYSA-N 442.361 4.001 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2Nc2ccc(F)cc2F)c1 779157051 UASFSQFUEGMSJJ-CYBMUJFWSA-N 441.434 4.239 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 786077657 YHDKAVZMTVUQEA-UNMCSNQZSA-N 444.959 4.067 10 20 IICD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788929862 LHHUODMWENXGTL-QGZVFWFLSA-N 428.602 4.011 10 20 IICD COc1ccc([C@H](NCc2c(O)ccc(Cl)c2F)c2cccc(S(C)(=O)=O)c2)cc1 790970368 HCXHHLURZGEXBF-QFIPXVFZSA-N 449.931 4.476 10 20 IICD CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 797432768 RKUKAPCMCYLMKQ-SVMVAKDDSA-N 443.567 4.093 10 20 IICD Cc1cc(CNC(=O)NCCCSc2nccs2)ccc1I 798437192 BWBQSNVCBHBOTB-UHFFFAOYSA-N 447.367 4.038 10 20 IICD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1c(O)ccc(Cl)c1F 800543702 IKTGANNNECNYDB-UHFFFAOYSA-N 435.746 4.147 10 20 IICD CCCCN(CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)Cc1ccccc1O 801595664 PRLHZEYAMNEVSL-WOJBJXKFSA-N 425.573 4.247 10 20 IICD Cc1cc(CC(=O)NCc2ccc(C[S@](C)=O)cc2)c(C)n1-c1ccc(Cl)cc1 804862984 UBRFUKSFQDYMNJ-LJAQVGFWSA-N 428.985 4.485 10 20 IICD Cc1noc(C)c1C(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 804868120 WPCKQQJYCXQIJN-PTNGSMBKSA-N 449.623 4.386 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1Cl)C1CCCC1 807290868 CUSVZLPSVFNNJM-UHFFFAOYSA-N 437.971 4.304 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccc(N(C)C)cc1 807674485 LREVXPBSSVTZLH-IBGZPJMESA-N 442.563 4.183 10 20 IICD COc1cccc(CNCc2cc(Br)ccc2OCc2ccccn2)c1O 809740283 SCQOPNNQDPJBKA-UHFFFAOYSA-N 429.314 4.427 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)cc1 916680305 GEXULHHLPOQZIN-UHFFFAOYSA-N 436.487 4.480 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 917116839 DVQGMOUVDVOWLQ-UHFFFAOYSA-N 434.561 4.191 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 917344933 XRMBJWFHUZQXIQ-UHFFFAOYSA-N 430.552 4.044 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2F)C[C@@H](C)O1 917715675 SQWVNSFCNLFICA-IYBDPMFKSA-N 428.552 4.198 10 20 IICD COc1ccc(N2CCCN(S(=O)(=O)c3c(Cl)ccc(C)c3Cl)CC2)cc1 917759759 YHNBLMWLJCOFSU-UHFFFAOYSA-N 429.369 4.211 10 20 IICD Cc1cc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1Br 918679218 ADUFOIZPQJSQOL-UHFFFAOYSA-N 440.341 4.228 10 20 IICD C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 919924762 VUQMGRPLPMNBOQ-QHAWAJNXSA-N 426.605 4.424 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCCOc3ccccc3)cc2F)C[C@@H](C)O1 1115869392 GNRNVEYDWRMYIR-KDURUIRLSA-N 429.536 4.098 10 20 IICD COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 23637310 MCMORWFXPMCNSA-INIZCTEOSA-N 440.471 4.434 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 108429946 QZSHFESCYIAGDW-UHFFFAOYSA-N 441.478 4.300 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 482494726 SZQFUKGTOHQYPD-SFHVURJKSA-N 442.581 4.141 10 20 IICD Cc1c(CNC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)n(C)c2ccccc12 566515521 DFMQCFGKEXTMOV-UHFFFAOYSA-N 425.532 4.051 10 20 IICD CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 725875687 HSWBWJQXNVFUGM-YVHKJVDXSA-N 441.547 4.325 10 20 IICD CC(C)NC(=O)Nc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726566349 VTGGCEUXDPMYTP-UHFFFAOYSA-N 446.498 4.217 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)cc4cccnc34)cc2F)CC1 730194223 BEHUFCFROXYONP-UHFFFAOYSA-N 426.923 4.099 10 20 IICD COc1ccc(OC(F)F)c(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1 732983835 QTDAQNSMURZVGD-GXDHUFHOSA-N 431.482 4.143 10 20 IICD C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 734943623 YFBHJVMDFZGKLU-NHCUHLMSSA-N 436.600 4.109 10 20 IICD COc1cccc(C(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)c1OC 738108325 QGRNXIJGPHZUOO-UHFFFAOYSA-N 446.503 4.267 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(F)cc1F 739006740 ZXHSMRWUMDCSJG-NRFANRHFSA-N 434.506 4.196 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 740919716 JPDLCHXAZNRIJD-OAQYLSRUSA-N 442.357 4.108 10 20 IICD COc1ccccc1-c1noc([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 742390506 IVUYBIPTIRDQEU-MRXNPFEDSA-N 437.500 4.495 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCc4c(cccc4N4CCOC4=O)C3)ccc21 742798575 UGAVRBIWBPOPLT-UHFFFAOYSA-N 447.535 4.060 10 20 IICD CCc1cnc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 742804905 JZVNYQISPAPWFZ-ZROIWOOFSA-N 437.637 4.065 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 745827175 DQKIOSMVNWJJIJ-KRWDZBQOSA-N 428.964 4.006 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(-c2cccc(F)c2)no1 745920930 RZWRZBZHDPULKD-DNVCBOLYSA-N 440.475 4.033 10 20 IICD O=C(CC12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1ccccc1O)(C3)C2)NCc1ccccc1O 748345337 ANCNYAQCXDBNOK-WANOEJIPSA-N 448.563 4.007 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 748530394 TZZUWKZJGWCOOG-QHCPKHFHSA-N 438.959 4.413 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@@H]1c1ccc(Br)cc1 748715715 YPYBLMPHMWPWMZ-UXHICEINSA-N 431.399 4.422 10 20 IICD O=C(CN1C(=O)Nc2ccccc2S1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1 749681082 PNPDLROKTBVYML-UHFFFAOYSA-N 435.465 4.277 10 20 IICD C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(Br)cc(Cl)c1O 756806349 ZKTJQTCGSOZKST-NSHDSACASA-N 427.726 4.448 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCc2nnnn2CC(F)(F)F)cc1 758358439 APTJBZOCNSALPO-UHFFFAOYSA-N 433.394 4.074 10 20 IICD CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 759506147 YCYRJYXDPWOLJB-UHFFFAOYSA-N 429.948 4.230 10 20 IICD CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cn1C 760599238 AEMLUDSXTMULRE-UHFFFAOYSA-N 433.555 4.051 10 20 IICD CCOCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCC1 760741581 CUIYGVOWGTYRJX-OALUTQOASA-N 435.584 4.226 10 20 IICD C[C@H](NC(=O)NCc1cccc(Br)c1O)c1nc2ccccc2n1C(F)F 764757458 LRFSCSHPQPSURD-JTQLQIEISA-N 439.260 4.460 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 764990954 RIXKEDUBIIHVAM-IRXDYDNUSA-N 426.536 4.358 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1 765853649 CKIRGMPZUVAPOP-RYUDHWBXSA-N 425.298 4.294 10 20 IICD C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 766155456 QDEVOPZOYFELOX-QGZVFWFLSA-N 425.554 4.194 10 20 IICD CC(C)[C@@H]1C[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 772496332 SLVUNHJBAADHOK-NPVOPIMNSA-N 438.640 4.049 10 20 IICD CN(C)c1ccc(CNC(=O)CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 775872556 UIXGRDULHLOUKJ-NRFANRHFSA-N 434.353 4.011 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(Br)cc(C)c1O 779038776 NCHMVPKWEZTCNQ-GDBMZVCRSA-N 426.376 4.366 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 779337011 VDFUVMFPMUACID-XMMPIXPASA-N 437.559 4.470 10 20 IICD CCCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1-c1ccc(F)cc1 782245867 DSIPXCXDFVGYGC-UHFFFAOYSA-N 436.531 4.325 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 784026105 BVHHRCXYZALKBT-UHFFFAOYSA-N 425.529 4.063 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H](C(=O)N(C)C)C3)cc2Cl)C1 799993921 LRVNWJZRTQPUBK-QRQLOZEOSA-N 435.012 4.023 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCN(CC(F)F)CC3)cc2Cl)C1 800720269 RJGUTWYPRZDHKE-MRXNPFEDSA-N 428.955 4.059 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)cc(F)c1O 800994017 PLBVLRMGMDVEEY-WMLDXEAASA-N 435.337 4.178 10 20 IICD CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N 802657573 JGNRSMBESMMJFT-AWEZNQCLSA-N 429.567 4.250 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)cc(C(N)=O)c3OC)c2C)cc1 803791876 LNQZYPPUNSNLTF-UHFFFAOYSA-N 427.888 4.116 10 20 IICD Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C 806440505 XKEVCKIFCXICCQ-XXBNENTESA-N 426.630 4.039 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ncc(Cc2ccccc2)s1 807511809 WIXXWZUHHWDVRK-UHFFFAOYSA-N 436.320 4.001 10 20 IICD COc1ccc(C[C@@](C)(O)CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1OC 810256434 ZLNGWXZARBLIPP-IQGLISFBSA-N 430.564 4.478 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCCSc2nccs2)CC12CCC2 813682224 ZPTQHPOMFAZEBQ-HNNXBMFYSA-N 440.635 4.247 10 20 IICD C[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)Nc1ncccn1 814771938 JQUYOGBEJIOGQH-BTAWCLGRSA-N 426.548 4.422 10 20 IICD CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3CCc3ccccc3)cc2)CC1 877844458 UUZVTHLFWFAEHY-AREMUKBSSA-N 426.564 4.248 10 20 IICD Cc1nnc(SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1Cc1ccccc1 915117079 BSUNKMCTRRZUPB-UHFFFAOYSA-N 437.613 4.230 10 20 IICD CN(C)c1ccc(CN(C(=O)c2nc(NCc3ccco3)ncc2Cl)C2CC2)cc1 915847765 PPEBLYKKHZMDEN-UHFFFAOYSA-N 425.920 4.206 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 916217990 ZINUOFGGJXENSG-VWLOTQADSA-N 438.616 4.056 10 20 IICD CCCCOc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 916391688 VEPLCKXJNRSKIF-UHFFFAOYSA-N 441.572 4.052 10 20 IICD CCCOc1c(Cl)cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC 916568914 MIMDADJVCMKBPZ-GXDHUFHOSA-N 429.947 4.203 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 916625034 BXBMGBGQXOPRHE-UHFFFAOYSA-N 444.988 4.342 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2F)C[C@H](C)O1 916668901 JIGQCZBAJMJHMX-STQMWFEESA-N 436.871 4.323 10 20 IICD CCC(=O)N1CCCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 917409897 YHOBSHWBZZVAOO-SFHVURJKSA-N 447.526 4.211 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)cc2)C1 917832927 IFJQGZNAQATJEL-OAQYLSRUSA-N 429.520 4.111 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(C3CCN(C)CC3)CC2)c1 1115919517 MUJISXTZLHVRKM-UHFFFAOYSA-N 429.008 4.036 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc4cc(Br)ccc4n3)cc2)C1 1318723091 REECGGQJBMQHIX-KRWDZBQOSA-N 439.357 4.311 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(NC(C)=O)c(F)c3)sc2C)cc1 1321151519 PWPUXQKNJOYPNM-UHFFFAOYSA-N 449.529 4.416 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(F)s2)C3)cc1 1845398116 AFKFLLDNKFCHKM-UHFFFAOYSA-N 437.540 4.426 10 20 IICD C[C@H](Nc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccc(N2CCOCC2)cc1 301131423 VEYOXKCRWCHKOI-AWEZNQCLSA-N 446.885 4.174 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc21 302814787 NDBDNRMOEBELCF-UHFFFAOYSA-N 433.942 4.173 10 20 IICD COc1ccc(N2CCCN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 303579144 JZRRTQNPHSFXRN-OAQYLSRUSA-N 433.474 4.032 10 20 IICD CCCCOc1ccc(CCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726609884 GQLISZPVKZHOAB-UHFFFAOYSA-N 425.573 4.385 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612026 XHQSAAPLZIDKNP-CQSZACIVSA-N 437.462 4.465 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 727246541 MPIBSRZITXENJB-UHFFFAOYSA-N 432.498 4.025 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1 729050619 QGRJDDWBLJSBOR-UHFFFAOYSA-N 432.609 4.321 10 20 IICD Cc1[nH]c(-c2ccncc2)nc(=NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C 733300486 UCRNXXZZTZCZNY-UHFFFAOYSA-N 425.483 4.260 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 733321135 NUXONTBNHQDPND-OAQYLSRUSA-N 433.474 4.078 10 20 IICD COc1ccc(OCc2nc(CNC3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 733327818 XBPZNMDPSOMJNI-UHFFFAOYSA-N 439.581 4.498 10 20 IICD Cc1cc(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1-c1cccc(Cl)c1 734451635 ZEXHJQVKVKUASY-UHFFFAOYSA-N 435.955 4.407 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC2(CCCC2)CC1 738461008 SZSWFHBMFHJDEV-UHFFFAOYSA-N 425.495 4.408 10 20 IICD CN(C)c1ccc(N2CCC(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 742378560 USMAHSURVNOSSS-UHFFFAOYSA-N 437.588 4.410 10 20 IICD CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 745837039 JIPPSUPGUUBRCF-XMMPIXPASA-N 440.538 4.320 10 20 IICD C/C(=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 748185849 MGDSBUUSWJHBHO-NRMGUKERSA-N 445.485 4.127 10 20 IICD C[C@H]1CN(c2ccc(CNC(=S)NC34CC5CC(CC(C5)C3)C4)cc2F)C[C@@H](C)O1 750994524 IOHKAFFLCCPJSC-LYZWQXQZSA-N 431.621 4.372 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3ccccc3Cl)cc2F)C[C@@H](C)O1 753773283 XMTSXAQTUZCMDB-BRWVUGGUSA-N 433.955 4.060 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3N3CCCCC3)CC2)cc1F 753887481 XFMXUWKBCSOMGB-UHFFFAOYSA-N 430.499 4.318 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)c(F)c3)SC2=S)CC1 753993035 CIUWOGKMEDJCHQ-DHDCSXOGSA-N 434.480 4.062 10 20 IICD C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F 754245863 LCIWDDIHMMGGDX-ZDUSSCGKSA-N 437.418 4.224 10 20 IICD C[C@@H](NCCCOC[C@H]1CCCO1)c1cc(Br)cc(Br)c1O 756357085 BMUBRWVQGAMLRH-DGCLKSJQSA-N 437.172 4.154 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(Cl)c1O 756544167 SUVUGPJCQDHALM-MWLCHTKSSA-N 436.680 4.177 10 20 IICD COc1ccc(O)c([C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 756873798 KGRYDTHZWLMBME-IERDGZPVSA-N 429.561 4.383 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1 758416747 QZYKZTCELMQDCK-NCUBORBFSA-N 429.519 4.041 10 20 IICD C[C@@H](c1ccccc1)N1CC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O 761635419 KXWFKFPKZVFBTR-LPHOPBHVSA-N 429.467 4.282 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](c1ccccc1)N1CCCCC1=O 761751691 AEXMUHSULAEARY-OAQYLSRUSA-N 445.357 4.257 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 764863032 GLGPOIWXALBUSY-SANMLTNESA-N 432.564 4.062 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 765080457 PPMGPGAOKNTDHZ-INIZCTEOSA-N 449.473 4.349 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(N2CCCCC2)c(F)c1 765241851 DVTDRJNKELTENK-UGKGYDQZSA-N 438.591 4.369 10 20 IICD C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 765840754 GXIISAOHPYGIAR-OAHLLOKOSA-N 449.364 4.044 10 20 IICD CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1cc(Cl)cc(Cl)c1O 768164119 WWUONHKXPNCLPD-UHFFFAOYSA-N 438.311 4.387 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cnccn4)n3C)c2C)c1 768406117 CNZOTYAGQLDCQV-UHFFFAOYSA-N 432.553 4.271 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1 768645831 QUEUTXRJWQELLL-HNNXBMFYSA-N 444.578 4.073 10 20 IICD COCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(Cl)c1 770251759 DOWSUVXYSIGCNR-UHFFFAOYSA-N 431.964 4.148 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(Cc2ccccc2F)s1 772234171 BPHWAZNCSLZGDP-UHFFFAOYSA-N 427.570 4.356 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc(N(C)C)cc1 773615352 WIQGKUVCJYBSNK-FOIQADDNSA-N 432.362 4.359 10 20 IICD Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2ccccc2)cc1 773749704 BQPKXWHYNPSYRT-PGRDOPGGSA-N 432.520 4.015 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)cc1 782425217 WBGXLUVYFQKEDD-UHFFFAOYSA-N 447.869 4.445 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n(Cc2ccccc2)n1 784062282 JNYPCOUKQGMOJT-UHFFFAOYSA-N 431.540 4.126 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sc4ccccc4c3Cl)cc2)CC1 786260453 WRJNIASYRBUTPO-UHFFFAOYSA-N 427.957 4.153 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c1 786891972 ZPHVAOJUVSROBT-FDDCHVKYSA-N 448.519 4.288 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 788930821 VYLOXHZWVIYSQH-UHFFFAOYSA-N 427.548 4.247 10 20 IICD CC(C)(C)Cc1csc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 789370379 LOPJLGPILGEFNP-UHFFFAOYSA-N 427.526 4.198 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(OCCC(C)C)c1 790947080 HTJCTOKQJHDECE-UHFFFAOYSA-N 439.556 4.041 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3C(F)(F)F)SC2=S)cn1 794859499 VEOVTMCGDWBEFV-VIZOYTHASA-N 426.489 4.394 10 20 IICD CC(=O)NCCN(Cc1ccsc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 801003220 KXSSHVGPCIOMJW-UHFFFAOYSA-N 442.629 4.365 10 20 IICD Cc1c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1Cc1ccccc1F 801803437 CWSDESDORIHOID-UHFFFAOYSA-N 435.459 4.307 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 805001695 QHQHXILHKHUYOZ-NSHDSACASA-N 430.282 4.303 10 20 IICD C[C@H](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 807292739 XCDQXEVCVXKERA-QGZVFWFLSA-N 445.485 4.008 10 20 IICD COc1ccc(OCc2nnc(SCC(=O)C(C)=O)n2-c2ccc(C)c(Cl)c2)cc1 808010662 HICUSAPWMUFTFP-UHFFFAOYSA-N 445.928 4.067 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)cc2)CC1 812035710 MYSHRAWXVJDDBS-JXFKEZNVSA-N 447.626 4.091 10 20 IICD COC(=O)CCc1nc(CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)no1 814770874 HRDIURROQIWENO-ZSOIEALJSA-N 445.547 4.294 10 20 IICD Cc1cc(=O)n2nc(COC(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)sc2n1 915492130 GLCPUPMQMBUESU-UHFFFAOYSA-N 436.537 4.347 10 20 IICD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1C 915850063 UFIUERVXQWJBLO-YBFXNURJSA-N 449.557 4.442 10 20 IICD Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457418 BWZPXRNYOVDXMS-UHFFFAOYSA-N 431.458 4.191 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 916670834 OCAZPQKZUUCRGI-UHFFFAOYSA-N 431.558 4.009 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cccn3Cc3cccs3)cc2F)C[C@@H](C)O1 918324783 XMCRVCMWJJXXGZ-IAGOWNOFSA-N 427.545 4.281 10 20 IICD CC(C)Oc1cc(Br)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 919991637 GWGQUDIRYSXRLR-UHFFFAOYSA-N 433.346 4.003 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)oc1C 920192972 HSBZVNHCGMNHGD-UHFFFAOYSA-N 432.524 4.154 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F)c1ccc(N2CCOCC2)cc1 920923974 YUNRSXAMLWNONB-SFHVURJKSA-N 447.510 4.145 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 1319766848 HQWNYCOBUVSIST-UYAOXDASSA-N 427.976 4.132 10 20 IICD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CCC1 1830737472 LAAMLZYPQQIDEU-GOSISDBHSA-N 434.964 4.175 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(OCc4csc(C)n4)c3)CC2)cc1 110356702 SSANXGJLPOCRCD-UHFFFAOYSA-N 437.565 4.438 10 20 IICD COc1cc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(O)c(C(C)(C)C)c1 216475774 MQQQXGNLVWRVBW-UHFFFAOYSA-N 439.600 4.071 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc21 471386630 VMQNMZCVBVANGD-PSWAGMNNSA-N 431.580 4.109 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 725867915 AVIZTANKGNMEIQ-CTNGQTDRSA-N 433.474 4.240 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc(C)c3C(=O)OC)sc2C)cc1 727244020 PQKAYCBIQVIEKT-UHFFFAOYSA-N 446.550 4.413 10 20 IICD Cc1cc(C(=O)NCC[S@](=O)C(C)(C)C)c(C)n1-c1ccc(Br)cc1 732768801 VNZUHRNMYLMZII-VWLOTQADSA-N 425.392 4.134 10 20 IICD COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 732934603 QAMBKRKNEXSWQW-HDICACEKSA-N 428.548 4.333 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C(F)(F)F)ccc3F)SC2=S)cc1 733369535 JFPBESYKWZFRIN-RIYZIHGNSA-N 426.416 4.349 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 740845343 RSRIJAJNVHWZDM-UHFFFAOYSA-N 426.542 4.283 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 741090006 AOGNHMQYSNHFPB-HXUWFJFHSA-N 447.514 4.341 10 20 IICD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742800244 POYUODOGNVCGSK-CYBMUJFWSA-N 437.468 4.317 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CCS1 742923295 JUYRWFZGCSLJAW-GOSISDBHSA-N 426.607 4.336 10 20 IICD O=C(COC(=O)c1cccc(F)c1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 745655943 XUFIJUYVQGNQFU-UHFFFAOYSA-N 437.810 4.050 10 20 IICD COCCN(Cc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 746219205 UCVXYVXYKFGQTL-OAQYLSRUSA-N 425.573 4.059 10 20 IICD Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1/SC(N2CCOCC2)=NC1=O 747147756 BRGLGAKVIXCXKR-RCCKNPSSSA-N 430.533 4.150 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)c2C)c1 749346431 JJCQWWUUFTXTFJ-UHFFFAOYSA-N 444.579 4.275 10 20 IICD COC(=O)COc1ccc(N(C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 753591769 PNAKBNLVQZJFKU-UHFFFAOYSA-N 428.492 4.123 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccn1 760862132 IVRXIMBEGBEFBR-NBGIEHNGSA-N 447.535 4.276 10 20 IICD O=C1CCc2cc(OCCCC(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2N1 761746167 KMYLQBHDKPIDLM-UHFFFAOYSA-N 434.492 4.258 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 761876322 XGGVAEBALMREDM-UHFFFAOYSA-N 445.567 4.193 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)ccc1OCC(F)(F)F 764412220 QBYSLVXMNOFANU-NVNXTCNLSA-N 444.456 4.416 10 20 IICD Cc1cc(CC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769313639 HSJJLMHLAYSILB-RPWUZVMVSA-N 444.019 4.174 10 20 IICD CCO[C@H](C)c1nc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cs1 769503189 SSMIALHCBLLCQE-CQSZACIVSA-N 440.407 4.027 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)cc1 772471685 NRYWMDITZVKVIC-UHFFFAOYSA-N 434.565 4.334 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c1 775370734 PVGGFNXJGNBFOK-HTAPYJJXSA-N 433.508 4.331 10 20 IICD C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(N(C)C)cc1 775403134 GQOITFKTMOFBRG-HOYKHHGWSA-N 431.536 4.197 10 20 IICD CC[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O 775483132 MEQOYNUNCDPIGM-IAGOWNOFSA-N 425.392 4.330 10 20 IICD CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775662271 SMEVXOFNHMPEFM-UHFFFAOYSA-N 438.494 4.338 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 784023357 BQFUSIKGTMOLCQ-UHFFFAOYSA-N 443.547 4.332 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 789748306 RLABNZHOAYWUBW-BJLQDIEVSA-N 440.613 4.488 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCC1CCOCC1 790647602 WNZJDGFBSOLOIG-SAPNQHFASA-N 439.624 4.480 10 20 IICD C[C@@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(N(C)C)cc1 790912337 BPNFRTBFZPETGS-SNVBAGLBSA-N 427.140 4.164 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)cc(-n2cccn2)c1 791970422 VAWJGACCYYCFGW-UHFFFAOYSA-N 445.317 4.403 10 20 IICD COC(=O)c1nc([C@@H]2CCCN2Cc2cc(Br)cc(C)c2O)sc1C 793236481 UIZSPQKLIAOKFZ-AWEZNQCLSA-N 425.348 4.352 10 20 IICD COc1ccccc1-n1nccc1/C=C1/SC(=S)N(c2ccc(C(C)=O)cc2)C1=O 797399532 XXHXKEIDCQHRQH-DEDYPNTBSA-N 435.530 4.489 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H](OC)c2cnn(C)c2)sc(C)c1-c1ccc(F)cc1 798365847 ZPUYYNMIXJTARX-SFHVURJKSA-N 431.489 4.099 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c(C)c1 799186656 FQRFTCLBMZSSAB-UHFFFAOYSA-N 428.539 4.205 10 20 IICD COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 805010765 CJLIVHHUHQBSHY-NRFANRHFSA-N 441.494 4.093 10 20 IICD CC(C)c1ccc(O[C@@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 806005802 HTHZGOWTPBADMI-FQEVSTJZSA-N 425.573 4.256 10 20 IICD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cc(Cl)cc(Cl)c1O 807839606 PYKGIWMUUZURGR-QMMMGPOBSA-N 436.122 4.441 10 20 IICD OC1(Cc2ccc(F)cc2F)C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)c(F)c1 809767424 KPVCNQRIWIYBPI-KEVCNVLYSA-N 446.513 4.041 10 20 IICD CON(C)S(=O)(=O)c1ccc(NCc2ccc(N(C)Cc3cccs3)cc2)cc1 863994073 WSBYWCXFPLGYHU-UHFFFAOYSA-N 431.583 4.179 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Br)cc2F)C[C@@H](C)O1 917708148 GBLPOFZHJKZFFE-HZPDHXFCSA-N 449.364 4.451 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccccc3OCC(F)(F)F)CC2)cc1 918018777 HSABLAZGTSFURG-UHFFFAOYSA-N 437.462 4.058 10 20 IICD Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)n1 918065763 AREXYCKUEWLHJX-UHFFFAOYSA-N 431.584 4.472 10 20 IICD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918210430 VQNOEZXJIMBEHI-JOCHJYFZSA-N 425.573 4.310 10 20 IICD O=C(Nc1ccc(OCC(F)(F)F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293599 AQXNYFXXWUGTRS-UHFFFAOYSA-N 448.397 4.094 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccc(Cl)s4)C3)CC2)cc1 1322197492 LZILKACXLXFAJW-SFHVURJKSA-N 435.977 4.162 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCN4C(=O)CCC4=O)n3)c2C)cc1 21598449 XEWMDKAYORFLDG-UHFFFAOYSA-N 436.537 4.004 10 20 IICD CCCS(=O)(=O)N1CCC(NCc2ccc(N(CC)Cc3ccccc3)cc2)CC1 236798189 CXRVQLICIPCTFC-UHFFFAOYSA-N 429.630 4.007 10 20 IICD COC(=O)c1sc2nc(C)nc(N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 301111997 KZYKCAKPDMSATD-CQSZACIVSA-N 426.542 4.104 10 20 IICD O=C1c2ccccc2C(=O)N1CCC1=CCN(c2nc(C(F)F)nc3ccccc23)CC1 480850780 ZBLQCFOCAVVQKR-UHFFFAOYSA-N 434.446 4.390 10 20 IICD COc1c(Cl)cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl 726075266 BRZXOISMKVINFV-UHFFFAOYSA-N 442.318 4.424 10 20 IICD COc1cc(OC)cc(C(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)c1 726962316 VMOXJTDRKZLAAI-UHFFFAOYSA-N 446.503 4.267 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1Cl 728064880 JORQHZWNNSJSOB-UHFFFAOYSA-N 429.992 4.326 10 20 IICD CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CCCCC1 728513962 LXLRSAJHXGGIIC-QHCPKHFHSA-N 434.646 4.407 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2F)C[C@@H](C)O1 729496982 MUBOGXNGYPNGDT-QKLQHJQFSA-N 429.511 4.278 10 20 IICD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 731042581 ZTBDTZQNADTMIM-UHFFFAOYSA-N 435.616 4.305 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)cc2)CC1 731048742 FBYAADAMJMTWSI-UHFFFAOYSA-N 434.584 4.157 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)ccc21 731544163 VMGRIEBIEJRDMA-HSZRJFAPSA-N 427.976 4.378 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc4[C@@H]3C)cc2F)C[C@@H](C)O1 738460840 QTIYAMPHWBWSIQ-BBWFWOEESA-N 429.511 4.407 10 20 IICD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 738773463 KSUOMPAFOHJEHO-MRXNPFEDSA-N 436.474 4.152 10 20 IICD C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)c1ccc(N2CCOCC2)cc1 740924414 ZLZBVXXIQZXOLE-MRXNPFEDSA-N 441.528 4.067 10 20 IICD COC(=O)CCN(C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C)C1CCOCC1 742962596 TWATWCXWMMZELS-UHFFFAOYSA-N 426.557 4.402 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 743718858 MOFINMPNQJXXJN-FQEVSTJZSA-N 447.362 4.499 10 20 IICD CC(C)CCOC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745903875 JNWSOYVSAZJIDV-SFHVURJKSA-N 439.547 4.494 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 746018354 DGUOOAVDUXUPOP-JTHBVZDNSA-N 449.517 4.153 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(OCCN2CCCC2)CC1 746046028 LTXBWVJEDCUKRW-UHFFFAOYSA-N 449.555 4.144 10 20 IICD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 746762119 LREGMUIDTIKSFT-CALCHBBNSA-N 426.536 4.332 10 20 IICD CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 752792727 BLVUZDIJQWETMC-UHFFFAOYSA-N 425.794 4.228 10 20 IICD COc1cc(N2CCN(C(=O)CCC(C)(C)c3ccccc3)CC2)cc(OC)c1OC 759221850 SXTWQZJVKFQNMG-UHFFFAOYSA-N 426.557 4.119 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccc(SC)c3C)CC2)cc(OC)c1OC 760008305 KRFDGZUWEGSESW-UHFFFAOYSA-N 431.558 4.097 10 20 IICD CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc21 760304109 HARAVAHJVUZTIL-UHFFFAOYSA-N 435.477 4.119 10 20 IICD CN(Cc1ccc(O)cc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 760744049 PFQMFQWIMIJKGH-ATVHPVEESA-N 432.592 4.094 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1N1CCCCC1 769210930 POPIGNKJGCUSBP-UHFFFAOYSA-N 448.527 4.410 10 20 IICD CN(C)CCC(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 770543589 JWCYZGIGEZJXOW-UHFFFAOYSA-N 425.533 4.087 10 20 IICD O=C(Cc1cccc(OCc2cccnc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 770827397 MURRHOTZMVCREN-XMMPIXPASA-N 432.520 4.117 10 20 IICD C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccc(N(C)C)cc1 773993911 KRHVJMICXYCHQI-HNNXBMFYSA-N 429.567 4.106 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775768624 VUPMCYYEHHMUIZ-UHFFFAOYSA-N 438.572 4.121 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 775997038 RQJGKLLFTZGCQD-FQEVSTJZSA-N 448.445 4.306 10 20 IICD Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OCC1CCCCC1 785296486 FUKUSRJYNQBYOM-KRWDZBQOSA-N 440.540 4.051 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H](c2cccs2)C2CC2)cc1 785788250 LTJFQUNRDIXOAP-QFIPXVFZSA-N 437.565 4.203 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CN(C)C(=O)c3ccccc32)cc1 787345601 JXHFDXYIIFBKTM-VWLOTQADSA-N 443.547 4.164 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(Cl)s2)SC1=S 790106290 BHOULSWKGAVLJU-TWGQIWQCSA-N 440.793 4.318 10 20 IICD CC(=O)N1CCN(Cc2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CC1 793044551 UNAKUAMEUVDSTP-UHFFFAOYSA-N 434.506 4.048 10 20 IICD Cc1nc(O)c(Br)cc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 795064377 UKHQKBQUGLQMRU-UHFFFAOYSA-N 444.329 4.360 10 20 IICD Cc1oc(C(C)C)nc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 796729424 OVDDCNMITMZKII-GOSISDBHSA-N 430.549 4.168 10 20 IICD Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2ccnn2C)c1 801647963 SFACFOHGCKWBKV-QGOAFFKASA-N 429.567 4.242 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 803212562 FEBXBBQTNLVYLV-UHFFFAOYSA-N 440.219 4.289 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)cc2)CC1 805022947 JIEBZSUWQPEGFJ-GGAORHGYSA-N 437.559 4.131 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)n2)s1 806921481 SQULCLGHRZLTSO-UHFFFAOYSA-N 427.551 4.019 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1nccn1C(F)F 913359869 FNKQGKMKOPXBSB-FMIVXFBMSA-N 443.522 4.065 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 915619252 IXFNJGGUPHVOLI-UHFFFAOYSA-N 427.545 4.139 10 20 IICD Cc1cc(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 915622551 RFOPVMUMPJYYON-QHCPKHFHSA-N 429.992 4.050 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 916625339 CZJQXCURXDGBOQ-NRFANRHFSA-N 439.581 4.058 10 20 IICD C[C@@H](NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(Br)cc1 917074123 PWRIJFLTYRALJQ-MRXNPFEDSA-N 430.390 4.357 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C 918305806 LPGASQDFOMAUHY-UHFFFAOYSA-N 432.524 4.154 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1cccc(Br)c1 919791998 LGWKHSMZOMVGNI-OAQYLSRUSA-N 444.373 4.332 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2cc(Br)ccc2o1 919969713 XBFYGKNXDSKGQP-UHFFFAOYSA-N 447.304 4.226 10 20 IICD Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919969971 MBWTXVSVTNNRDT-UHFFFAOYSA-N 449.551 4.009 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 1115838273 PKFSQTCFHLYUPV-UHFFFAOYSA-N 436.899 4.052 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)cc(C(F)(F)F)c3)CC2)cc1 1319732274 FCMZXRDRPCXFOW-UHFFFAOYSA-N 435.446 4.025 10 20 IICD O=C(c1ccc(F)cc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2c1COC2=O 1323400318 PHKMCHDMFCFOJP-UHFFFAOYSA-N 445.855 4.181 10 20 IICD CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1800719015 QOTPLWONWMDYAE-PZTJNICRSA-N 434.964 4.219 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cc2ccccc2nc1N1CCOCC1 12807648 ZDARPNJLKCRLAV-SAPNQHFASA-N 444.922 4.379 10 20 IICD O=S(=O)(c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc1)N1CCCCC1 301245739 NZILLKGUSAMKMA-UHFFFAOYSA-N 440.544 4.170 10 20 IICD O=C(Nc1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1)C1=S=CC=C1 438917824 IQLPFMPUFITVIK-UHFFFAOYSA-N 440.431 4.143 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)ccc21 482015764 MOPRQXDFZUHIED-UHFFFAOYSA-N 430.512 4.145 10 20 IICD COCCCOc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726697757 SVZVYIWTGHYDPE-UHFFFAOYSA-N 449.498 4.494 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c1 729061520 GSYJDGOPOYAYJV-SECBINFHSA-N 430.860 4.185 10 20 IICD CCOc1ccc(OC)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 729576061 RBGHFZXTVRYMJM-UHFFFAOYSA-N 435.471 4.486 10 20 IICD C[C@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 729603413 VDHNWOXRHGHJEN-NBGIEHNGSA-N 430.552 4.201 10 20 IICD CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 729787578 HBWHMQXYGNAACE-UHFFFAOYSA-N 431.989 4.478 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1F 731409012 HYUNWGLJQYBDDI-UHFFFAOYSA-N 440.544 4.359 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)c2C)cc1 733267039 IGGYLIFXVWGCIR-UHFFFAOYSA-N 446.551 4.444 10 20 IICD CC(C)(C)c1ccc([C@@H](O)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 734857065 DOYWPRXTTUCWAM-QFIPXVFZSA-N 427.614 4.070 10 20 IICD O=C(NCc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 737269619 XXGKXUWBLKLFHD-UHFFFAOYSA-N 425.452 4.142 10 20 IICD Cc1cc(C(=O)CN2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(OC(F)F)cc1 738313631 JTTSNWOLKUWOQM-UHFFFAOYSA-N 447.526 4.069 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 740918607 JVNBRRGKZCSIBV-RXVVDRJESA-N 431.939 4.043 10 20 IICD O=C(Nc1cccc(N2CCCC2=O)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743082212 PUSNBTQKHNFBHO-KRWDZBQOSA-N 444.482 4.205 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3c(O)ccc4c3CCCC4)ccc21 743142670 ZJCWHYVDKHEBLG-UHFFFAOYSA-N 448.567 4.416 10 20 IICD O=C(NCCc1cccc(F)c1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743608344 ZTGHAYWGWVQVQA-OAHLLOKOSA-N 425.426 4.077 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)c1O 746796779 DTMCQXZAFLYJJE-UHFFFAOYSA-N 442.924 4.460 10 20 IICD CC(C)Cn1cnc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 748640777 ZVEWICPKCBKFKS-UHFFFAOYSA-N 447.405 4.287 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1)c1ccccc1 749189808 CTXSTFFSNVHRIE-XMMPIXPASA-N 436.600 4.079 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2F)C[C@@H](C)O1 750626405 AOSCUQXWOLWIQN-HZPDHXFCSA-N 425.504 4.280 10 20 IICD CSc1cccc(N2C[C@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)c1 751302945 ROURUWDPVJSCAK-MRXNPFEDSA-N 443.532 4.110 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(C)c(F)cc3F)n2)c1 753156312 UQZUUFJZLLLAQK-UHFFFAOYSA-N 426.466 4.215 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(OC[C@@H]2CCCO2)c1 754549169 UXPPCNAUVFVTFL-IBGZPJMESA-N 427.456 4.272 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1N[C@H](C)c1cc(C(=O)OC)ccc1O 757618626 CYCJDQIACGFLIT-MRXNPFEDSA-N 426.513 4.377 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@H]3CC(=O)N(Cc4ccccc4)C3)c2C)c1 760005043 ZFGVXGOPXMQHPY-HSZRJFAPSA-N 429.564 4.489 10 20 IICD CSc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(Cl)cc1Cl 760391024 LMFSLPMKZUQQQR-UHFFFAOYSA-N 445.393 4.202 10 20 IICD CCOc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(Cl)c1O 762609888 BOIOXUUUOBTGSR-CQSZACIVSA-N 440.874 4.445 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)cc1Br 764207596 KCTHTUZUSWXBLD-UHFFFAOYSA-N 442.716 4.400 10 20 IICD Cc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 764410928 CUDVUPNFHXLYDE-NVMNQCDNSA-N 440.506 4.392 10 20 IICD Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c[nH]c12 768937732 ALCAGLKFSZTNRT-UHFFFAOYSA-N 433.483 4.477 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)cc3)SC2=S)c1 771512381 DEZHHIRIHGMULB-QNGOZBTKSA-N 439.606 4.243 10 20 IICD C[C@H](NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(N(C)C)cc1 773618087 HKJPOCQGWBZDKS-UQBPGWFLSA-N 433.552 4.425 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1)c1ccc(N(C)C)cc1 773855814 HEAXILXXEXICDT-FQEVSTJZSA-N 445.563 4.328 10 20 IICD COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 775372476 BWDDUHGXLPWSLY-GJZGRUSLSA-N 439.537 4.392 10 20 IICD CC[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O 775483133 MEQOYNUNCDPIGM-IRXDYDNUSA-N 425.392 4.330 10 20 IICD COC(=O)Nc1ccc(CNC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 776010511 OUOKCRXIPDBUHX-IBGZPJMESA-N 447.535 4.450 10 20 IICD Cc1cccc(-c2noc(SCC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n2)c1 777803625 QPOYCOXOCLZZHJ-IBGZPJMESA-N 439.537 4.051 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N=c2cc[nH]cc2Br)cc1 780637239 NOLMZVXMTNMGHF-UHFFFAOYSA-N 429.318 4.159 10 20 IICD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c2ncccc12 782896726 UGOIDNTZOYWVGI-UHFFFAOYSA-N 433.508 4.249 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1-n1cccn1)c1ccc(N)cc1 783483361 UWWONMFZUGNUML-GOSISDBHSA-N 425.492 4.187 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)cc(F)c1Br)c1ccc(N2CCOCC2)cc1 785868449 JETYKXKEPVGDLE-GFCCVEGCSA-N 440.288 4.447 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)noc1-c1ccccc1F 788843944 XNOASQLHTJUHRK-UHFFFAOYSA-N 428.439 4.087 10 20 IICD CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)sc2C1 789382943 UYJJEMUAZSVYRT-MRXNPFEDSA-N 440.613 4.244 10 20 IICD COc1cc(Br)cc(CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c1O 789766870 BJPASXVCLGJYFM-CYBMUJFWSA-N 435.318 4.313 10 20 IICD Cc1ccc(CN2CC[C@@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)C2=O)cc1 790691746 XONGPHODZQSDHY-HSZRJFAPSA-N 435.568 4.346 10 20 IICD CCOc1cc(O)ccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 791143149 ZXULEDBFTCQIJH-SFQUDFHCSA-N 448.591 4.473 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@@H](c2ccccn2)C1 798716356 QUIZEGIOWWHWJH-COYFKBPASA-N 443.619 4.141 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)cc2Cl)C1 799995335 YTDYPHJXXMZVNN-RADWXHQJSA-N 438.037 4.430 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)c4ccccc43)cc2Cl)C1 800049037 LADBJJWECXOUGR-UZLBHIALSA-N 425.960 4.062 10 20 IICD COCCNC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 806627677 JYTZNXSXFAHRNL-UHFFFAOYSA-N 438.572 4.153 10 20 IICD O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807180714 LOIAPGLTZGDLID-NFBKMPQASA-N 432.520 4.042 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(C)nc(N2CCCC2)c1 812542351 YGNXLQARTQGWCX-UHFFFAOYSA-N 447.377 4.190 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1C 917846552 UKQOUZJWGHNPNP-UHFFFAOYSA-N 432.523 4.008 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccnc(OCc4ccccc4)c3)CC2)cc1 918007741 WCBNAQVZHHVGBZ-UHFFFAOYSA-N 446.551 4.091 10 20 IICD CNC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 918039454 FVYCLNWRSAWKRS-UHFFFAOYSA-N 440.341 4.397 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 920196437 SWPBGSOKQVLBFJ-UHFFFAOYSA-N 443.507 4.194 10 20 IICD C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(N2CCOCC2)cc1 920879412 MCTRKPXAELBYQO-LKFAQNRMSA-N 447.417 4.434 10 20 IICD Cc1cc(CN2CCCN(C(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)CC2)no1 1318100662 KVRCIYVNXZMDBD-UHFFFAOYSA-N 426.948 4.392 10 20 IICD Cc1ncc(Br)c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 1338985063 HNSFJRKZLFMGIT-UHFFFAOYSA-N 442.313 4.303 10 20 IICD CCOc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 10962936 XNBXQMZHCHXVOR-UHFFFAOYSA-N 427.501 4.265 10 20 IICD Cc1cc(=O)n2nc(CSc3ncc(-c4ccccc4)n3Cc3ccco3)sc2n1 23237886 XQRXOVGUVDTZSF-UHFFFAOYSA-N 435.534 4.257 10 20 IICD CC(C)CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cc(Cl)ccc2c1=O 23597373 TXDIXTFWTALQIP-UHFFFAOYSA-N 432.929 4.482 10 20 IICD Cc1ccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c(O)c1O 109997616 QLIZKXOQHCEZAU-OAHLLOKOSA-N 442.518 4.064 10 20 IICD Cc1cc(N(C)C)ccc1CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 301298101 PVXDBWQFFJHMNL-UHFFFAOYSA-N 437.853 4.286 10 20 IICD CN1CCCc2cc(CNC(=O)NCC3(c4ccccc4Cl)CCOCC3)ccc21 303280636 FHQTUOWHQDZJJG-UHFFFAOYSA-N 427.976 4.270 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)cs1 726565265 JDXHKCMQBIKZMX-UHFFFAOYSA-N 432.496 4.447 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC=C(c2ccc(O)cc2)CC1 726720351 ZBINYEHZBYHCGP-UHFFFAOYSA-N 443.494 4.461 10 20 IICD COc1c(C)cnc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C 726721276 CNWBZRGJHNPFAF-UHFFFAOYSA-N 448.514 4.119 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3F)C3CC3)cc2F)C[C@@H](C)O1 727601416 RLWVKDMHOYUOMB-CALCHBBNSA-N 429.511 4.453 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1 728950499 QNFJVLDXVOUOEU-INIZCTEOSA-N 425.529 4.480 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 732595059 LHAJOGJQNYODAA-UHFFFAOYSA-N 438.572 4.033 10 20 IICD CCc1nn(C)c2n[nH]c(NC(=O)c3cc(C)n(-c4ccccc4Br)c3C)c12 734470299 ACEVECLCGZRERN-UHFFFAOYSA-N 441.333 4.281 10 20 IICD Cc1csc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 734941049 YYTITGZEPIPJBW-UHFFFAOYSA-N 442.507 4.041 10 20 IICD O=C(CCN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1cccc(Br)c1 736310543 SJRVDVRJPYTRHS-LJQANCHMSA-N 433.346 4.165 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Br)c1 742797274 AKLFYJIYNWCFHD-HNNXBMFYSA-N 425.273 4.449 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 742898353 UAEXJUZKMJPJJF-UHFFFAOYSA-N 438.597 4.034 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccc(C2SCCCS2)cc1 742951965 DERGAEGLKIZTEW-UHFFFAOYSA-N 430.595 4.426 10 20 IICD COc1ccc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)cc1 745647228 CUNGAIMGXPNJST-UHFFFAOYSA-N 449.526 4.337 10 20 IICD CCOCCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C 746035307 SKNOVIVBZLQRRX-FQEVSTJZSA-N 441.572 4.267 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)CC2)cc1 751089810 BKFNECFUIUHOLE-PZJWPPBQSA-N 429.586 4.023 10 20 IICD CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C(C)C 753818121 TVXWMQHBSCIHSC-UHFFFAOYSA-N 439.604 4.248 10 20 IICD C[C@H](NCCc1cn2ccccc2n1)c1cc(Br)cc(Br)c1O 756391338 BPXHUBQXJJAXBS-NSHDSACASA-N 439.151 4.458 10 20 IICD C[C@@H]1CN(Cc2cccc(CN[C@H](C)c3cc(Br)cc(F)c3O)c2)CCO1 756458005 ITWMTZXLYBXCER-HUUCEWRRSA-N 437.353 4.365 10 20 IICD C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756714517 ZHQPQPVFGFSSBG-PSLIRLAXSA-N 433.115 4.441 10 20 IICD Cc1cc(F)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1F 758254513 XDZOBYARGDOSDE-FQEVSTJZSA-N 433.499 4.335 10 20 IICD COc1ccc(COCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 760376559 HQMIZLYZNAIWPZ-KDURUIRLSA-N 444.547 4.061 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCO[C@@H]1CCCc2ccccc21 761310275 BEGYVDYJXGYQKA-OAQYLSRUSA-N 428.916 4.294 10 20 IICD Cc1csc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)n1 762074024 ODAZCMGCQRDTQA-XYOKQWHBSA-N 434.593 4.397 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3csc(-c4ncccc4F)n3)cc2F)C[C@@H](C)O1 768340723 CIFYYRPZHBREQU-ZIAGYGMSSA-N 444.507 4.027 10 20 IICD O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768912613 PUNFPVYYADRQKH-FQEVSTJZSA-N 439.943 4.414 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1 769025077 WGMVOPXILWAUBI-HSZRJFAPSA-N 437.565 4.430 10 20 IICD CCOc1ccc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(O)c1 769245470 SYNOAOSIXYUOLU-UHFFFAOYSA-N 426.538 4.224 10 20 IICD CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C(C)C)cc1 769342320 KPSCZLVZAAYNED-RUZDIDTESA-N 439.600 4.286 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1F 771302023 NKZKUNYWLLRPHA-UHFFFAOYSA-N 437.918 4.314 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1 771385040 ADOLLOJPOQXUCZ-JOCHJYFZSA-N 447.535 4.164 10 20 IICD CC(C)C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)Nc1nccs1 773151075 PQUYEBHWOLKLDH-HNAYVOBHSA-N 437.009 4.337 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(N(C)C)cc1 773858922 SXPOCLHXAGCMQO-ZDUSSCGKSA-N 446.338 4.061 10 20 IICD C[C@@H](NCCc1ccc(OCCN2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 775416067 DDMXODSCJSJNFK-OAQYLSRUSA-N 441.591 4.030 10 20 IICD C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n1 784062531 PJNGLMGSJILZGZ-GOSISDBHSA-N 431.540 4.379 10 20 IICD COc1ccc2ccccc2c1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 787018606 WFWXPLZGTPJWBA-UHFFFAOYSA-N 445.563 4.114 10 20 IICD CCC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 790912411 PPGXHNSWVCCBDO-UHFFFAOYSA-N 425.598 4.182 10 20 IICD CCc1c(NC(=O)NCc2cccc(OC)c2O)cnn1-c1ccc(C(F)(F)F)cc1 792457394 SOZBGTIXRGKPDQ-UHFFFAOYSA-N 434.418 4.489 10 20 IICD OC[C@@]1(NCc2cc(Br)cc(Br)c2O)CCCc2ccccc21 799737219 ZNDHBCLDEMWHRI-SFHVURJKSA-N 441.163 4.231 10 20 IICD Cc1ccc2c(c1)nc(CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)n2C 802323447 ILVMFNFSDDVFSE-UHFFFAOYSA-N 431.540 4.453 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c2cccnc12 802571312 UWSDUIKAZWWRTO-UHFFFAOYSA-N 442.313 4.080 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(C)n1-c1ccccn1 804130428 YBLWEWFKFJRPKU-QHCPKHFHSA-N 444.579 4.233 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1F 806742595 PMJIOCBZEONZEL-UHFFFAOYSA-N 436.478 4.108 10 20 IICD COc1ccc([C@@H](Cc2ccccc2)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 810211851 XBLXKLOWCOLWLT-RPLLCQBOSA-N 443.591 4.471 10 20 IICD Cc1cc(C(=O)Cn2cnc(C(F)F)cc2=O)c(C)n1-c1cccc(Br)c1 813578592 YXRDPXSIPDIITL-UHFFFAOYSA-N 436.256 4.234 10 20 IICD CC(C)n1ncc2cc(/C=C3/CCn4c3nc3cc(C(=O)O)ccc3c4=O)c(Cl)nc21 912858882 JCXQHNVULUZNCY-GHXNOFRVSA-N 435.871 4.018 10 20 IICD CCCOc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 915164660 XQYNEOPPOYKMHE-UHFFFAOYSA-N 430.416 4.411 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 916432727 MTUJEXGIEDNYMO-UHFFFAOYSA-N 443.595 4.442 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccnc1Oc1ccccc1 916680191 GWDGQTWKWNMJQI-UHFFFAOYSA-N 432.524 4.404 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1Cl 916682149 UOWCLFUXZMEQEQ-ZIAGYGMSSA-N 449.910 4.201 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1C 917401697 JHKWJEGUGUELHJ-UHFFFAOYSA-N 426.538 4.060 10 20 IICD O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 917707460 HOEMMQNZMCUBRW-UHFFFAOYSA-N 441.330 4.445 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)cc1 917906649 FILICIHSRUXORR-UHFFFAOYSA-N 447.513 4.033 10 20 IICD CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC(C(C)(C)C)CC1 918123254 RXTZOXOSDKQJJU-MWXLCCTBSA-N 428.621 4.135 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 918228862 NWQCEQPJDSSPME-UHFFFAOYSA-N 441.551 4.168 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccnc(N3CCCC3)c2)cc1 919655288 NCYWPCWIKGSDAQ-UHFFFAOYSA-N 433.556 4.253 10 20 IICD Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 920870869 SNPRXLIULGPING-IRXDYDNUSA-N 446.389 4.272 10 20 IICD COc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 921011274 RJRUFHNSORTECZ-UHFFFAOYSA-N 445.563 4.020 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 1116256345 HPHKHGDUZHKQJD-UHFFFAOYSA-N 428.941 4.007 10 20 IICD COc1ccc([C@H](NCc2cc(OC)c(OC)cc2O)c2ccc(OC)cc2OC)cc1 1254196318 GFMXKTNKTHBNAK-VWLOTQADSA-N 439.508 4.314 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(-c3ccncc3)c2C)cc1 1320308725 AWKQWENQOPUGLC-UHFFFAOYSA-N 441.535 4.497 10 20 IICD COC(=O)C[C@@](C)(NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccncc1 1320739609 ISMGVCZZBHYNHQ-HSZRJFAPSA-N 425.916 4.351 10 20 IICD CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCc1ccc(N2CCCC2)cc1 1323296715 IGESHOSXDLQRKS-UHFFFAOYSA-N 425.558 4.119 10 20 IICD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791322152 YEYOIRQAVCZGGZ-IXDOHACOSA-N 435.524 4.067 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2CC2)CC3)cc1 1823438072 IURZRKXUOJDDFY-GOSISDBHSA-N 434.565 4.186 10 20 IICD O=C(c1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)c1)N1CCCCC1 60446811 DTIDZCXCXOCDRP-UHFFFAOYSA-N 442.991 4.182 10 20 IICD COc1ccc(C(=O)NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 109622945 NMUQUPYXARHAJN-UHFFFAOYSA-N 449.454 4.170 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccc(Br)cc2)CCOCC1 110170922 STTKBCIISLYPFW-UHFFFAOYSA-N 431.374 4.222 10 20 IICD Cc1c(CNC(=O)N(CCO)Cc2cc(Br)cs2)n(C)c2ccccc12 472277074 OMGACWXNNVWTKH-UHFFFAOYSA-N 436.375 4.015 10 20 IICD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c(C)c2ccccc2n1C 473277557 FSQZBNFUKJRZOA-LJQANCHMSA-N 444.000 4.308 10 20 IICD O=C(Nc1cccc(N2CCCC2=O)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726694522 NFSLCECZSPREQX-UHFFFAOYSA-N 444.482 4.205 10 20 IICD CC(C)c1noc(-c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1 728741704 FJZCWYJOVILSTP-UHFFFAOYSA-N 439.491 4.157 10 20 IICD C[C@@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1 729571477 VKFKUENAHXHOLH-LJQANCHMSA-N 432.524 4.380 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nnc(Cc4ccccc4F)s3)CC2)cc1 731117485 UQIYJWFAUXEYPB-UHFFFAOYSA-N 441.532 4.067 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(-c4nccs4)c3)cc2)CC1 731132314 ZONAVCYIUTYHLA-UHFFFAOYSA-N 434.565 4.301 10 20 IICD CCCN(CCc1cccc(F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 733648812 WSPVLARQHDRBTB-UHFFFAOYSA-N 431.527 4.090 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(C(=O)NCCc2ccccc2)cc1 741062006 FYGWSTUYKYREKB-UHFFFAOYSA-N 440.547 4.357 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 742483762 WTRWKHABSHDXSS-UHFFFAOYSA-N 439.515 4.408 10 20 IICD COc1ccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c(OC)c1OC 743283869 HCECRLGZAATYAM-BRFSQIRFSA-N 443.546 4.437 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 743892465 FFPOVZWBEBIEEE-UHFFFAOYSA-N 448.413 4.365 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(CSc2ccccn2)c1 743958021 HKFSGRDYOAJOAN-UHFFFAOYSA-N 447.560 4.213 10 20 IICD O=C(NCc1cc(F)ccc1N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 745836009 AUSMCJAMHLKZNL-UHFFFAOYSA-N 441.547 4.412 10 20 IICD COc1ccc(Br)cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 747543433 IFPIZEVEGDGCRN-SFHVURJKSA-N 449.345 4.054 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 747979570 JXYNFBRSEDJZAC-HSZRJFAPSA-N 443.588 4.270 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C 749628330 JKNDMYPXFBEWKU-UHFFFAOYSA-N 425.573 4.363 10 20 IICD COc1cc(C)c(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1OC 751289451 BJXQRTQWXXRDHQ-VXLYETTFSA-N 428.535 4.376 10 20 IICD CC(C)[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 751608625 ZZKRSBSZUQIMJD-DBXWQHBBSA-N 428.552 4.073 10 20 IICD Cc1nnccc1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 753509553 FVABHMDAEPWESD-OAHLLOKOSA-N 429.423 4.222 10 20 IICD COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756382859 FHEMRDGFDWEMOF-MGPLVRAMSA-N 430.726 4.210 10 20 IICD COc1ccc(N2CCN(Cc3csc(N(C(C)=O)c4ccccc4)n3)CC2)cc1F 756549021 UGMIEBIDJMXUAN-UHFFFAOYSA-N 440.544 4.298 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 757582715 PEGPUMWXYGJGME-KRWDZBQOSA-N 425.529 4.085 10 20 IICD O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OCc2ccccc2)c1 760703033 MYMSWBLBACGSTI-AREMUKBSSA-N 436.527 4.065 10 20 IICD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCCC2)c1 762507081 AKMGUUWEOBXZBY-UHFFFAOYSA-N 443.525 4.493 10 20 IICD CCCc1c(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cnn1-c1ccccc1C 764674192 WOGFJIYQFDHVLP-UHFFFAOYSA-N 434.540 4.216 10 20 IICD C[C@@H](NC(=O)Nc1cnc(Cl)c(Br)c1)c1ccc(N2CCOCC2)cc1 767904753 GPKMJZZZDOOZLJ-GFCCVEGCSA-N 439.741 4.217 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 769041582 QOQYQTAGFZDQFX-UHFFFAOYSA-N 442.563 4.459 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 773747720 GAVYINPVTAUEEA-SNVBAGLBSA-N 437.336 4.262 10 20 IICD Cc1nc2ccccc2c(=O)n1CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 774089561 NETHNBMELLAFII-SFHVURJKSA-N 427.504 4.201 10 20 IICD O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cs1 776744556 XFEKXOVMFALQKA-UHFFFAOYSA-N 432.504 4.229 10 20 IICD COc1ccc(O)c(CN[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 777483453 QZLRYNFBYWPKMS-QFIPXVFZSA-N 431.941 4.337 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 779458180 BDOLKQRZFNMBCI-ZDUSSCGKSA-N 445.317 4.291 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)n2)s1 780703842 UHOVWJDWXLWNEQ-UHFFFAOYSA-N 429.552 4.141 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]21 784223793 TZZYCHAYBVQKSB-KSEOMHKRSA-N 442.604 4.122 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 785192084 JTHDEZROJOLYOK-UHFFFAOYSA-N 446.128 4.449 10 20 IICD COc1cc(N2CCN(c3nc4cc(Cl)cc(Cl)c4o3)CC2)cc(OC)c1OC 788547197 JETZGANZKDRDRZ-UHFFFAOYSA-N 438.311 4.487 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 788807435 ZQMHUSMETLLTNM-FOIQADDNSA-N 434.367 4.286 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 790787845 OTHBGWSPYMJJCB-RPLLZPRCSA-N 437.323 4.104 10 20 IICD CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 794002062 LTEYHGHCQPIPPA-UHFFFAOYSA-N 446.550 4.242 10 20 IICD Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800637220 VIZSXBXCBKEEJY-ZDUSSCGKSA-N 435.355 4.188 10 20 IICD CC[C@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807952947 RRBMWMIETUHPGA-DYESRHJHSA-N 442.991 4.197 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 808095225 WCOCRCJCNBLLIG-INIZCTEOSA-N 442.339 4.106 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2ccccc2C1 913962282 NWLHREWMZIZXOH-QGOAFFKASA-N 428.604 4.314 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C 915219367 JQSDFYYKVQUSLZ-UHFFFAOYSA-N 449.529 4.416 10 20 IICD O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccc(N=Nc2ccccc2)cc1 915303602 JKMVFLAYONNFSN-JOCHJYFZSA-N 425.558 4.431 10 20 IICD CC(C)(C)NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916624652 LNUANFFSQNBPMA-UHFFFAOYSA-N 426.586 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)C(F)F)cc3)cc2F)C[C@H](C)O1 917087019 SYCCFJNGPLHYIR-KBPBESRZSA-N 428.476 4.048 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1C 917849675 JCODFABIDGVCEP-UHFFFAOYSA-N 441.578 4.428 10 20 IICD Cc1sc(NC(=O)CCCN2C(=O)CCC2=O)c(C(=O)OC(C)C)c1-c1ccccc1 918563160 WQDGTHXGHBGFCL-UHFFFAOYSA-N 442.537 4.156 10 20 IICD Cc1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)s1 921074940 RHTOVBLTFUOCBZ-UHFFFAOYSA-N 425.554 4.398 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(Br)c(C=O)n2C)cc1 1252391714 RVHUFLLQUFWRGA-UHFFFAOYSA-N 444.329 4.102 10 20 IICD CN1CCN(c2ccc(CNC3(Cc4ccc(F)cc4Cl)CCOCC3)cc2F)CC1 1343895682 OATRRVOVVQBFLI-UHFFFAOYSA-N 449.973 4.252 10 20 IICD COc1ccc(N2CCN(CCCNCc3csc(-c4ccc(F)cc4)n3)CC2)cc1 22743467 ZKDLVAOPILNFCV-UHFFFAOYSA-N 440.588 4.260 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1(c2cccc(F)c2)CC1 303791270 IDKYTDOTUSGQLS-UHFFFAOYSA-N 437.437 4.170 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@H]3CC(=O)c3ccccc3)ccc21 467873888 ZEGBDDYMFVNKHW-JOCHJYFZSA-N 434.536 4.019 10 20 IICD Cc1c(CNC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)n(C)c2ccccc12 472299164 YLEYCNRYEJZJPU-UHFFFAOYSA-N 430.512 4.021 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc21 729040956 NZEJCPFQYPRLBS-UHFFFAOYSA-N 439.535 4.037 10 20 IICD C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)c1ccc(N2CCOCC2)cc1 730750862 ROTWORGDFBLDBP-NRFANRHFSA-N 446.547 4.358 10 20 IICD Cc1cc(CC(=O)N2CCC[C@H](N3CCCCC3=O)C2)c(C)n1-c1ccc(Cl)cc1 732776337 QHOWUQDWUSZKGC-QFIPXVFZSA-N 427.976 4.294 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1 733850500 PDQGGLXMWYBGDN-UHFFFAOYSA-N 432.524 4.317 10 20 IICD Cc1sc2ncnc(N3CCC(C(=O)NCCCSc4nccs4)CC3)c2c1C 733880438 IBGZTZSKAIFQLF-UHFFFAOYSA-N 447.655 4.280 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1Br 734143451 CFYJOCAOZFHPTQ-DLBZAZTESA-N 446.389 4.233 10 20 IICD Cc1nn(C)c2nc(Cl)c(CN[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12 742384729 KOVBZYYEINCDIT-HNNXBMFYSA-N 435.906 4.290 10 20 IICD CCCOc1ccc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 742558076 ZYVUQQWKFULPKW-RTBURBONSA-N 428.548 4.477 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccccc2F)on1 742802244 WRBHTNRDZIBHDZ-CQSZACIVSA-N 431.414 4.481 10 20 IICD CCOC(=O)c1ccc(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743016199 UHBJVNBRNNDUKW-KRWDZBQOSA-N 449.523 4.420 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 743109425 IDXORAJLWCTRQW-UHFFFAOYSA-N 440.725 4.222 10 20 IICD Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1-c1cccc2ncccc12 743431663 YPZXDGDQGINNHF-UHFFFAOYSA-N 439.475 4.265 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 747389784 POKQITJQSRUODX-NBGIEHNGSA-N 437.584 4.411 10 20 IICD COc1ccc2cc(/C=C/C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2c1 749407605 UVXLAKLOSAVZQU-RUDMXATFSA-N 434.511 4.278 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 749992957 SMOQSKXGHSMEFO-KRWDZBQOSA-N 434.970 4.410 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752839268 PHQZEJZGXSVQFI-LJQANCHMSA-N 448.596 4.482 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C2CCCCC2)no1 752919600 ZDXOYECRGHJNEJ-SJORKVTESA-N 427.549 4.075 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(CCC(F)(F)F)c3)cc2)C1 753894312 TZWKNWPBLIZPSJ-GOSISDBHSA-N 448.489 4.205 10 20 IICD COc1ccc(N2CCC(NC(=O)c3c(F)cc(Br)cc3F)CC2)cc1 755277862 CYUGCOJQVRBVBH-UHFFFAOYSA-N 425.273 4.135 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(C)n1-c1ccccn1 755457765 KSHJQMFMDHMNBH-QGZVFWFLSA-N 436.531 4.080 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1C[C@H](O)c1ccco1 758814708 MURNMHRHJGZJOQ-KPFFTGBYSA-N 449.498 4.148 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC2CC2)c(F)c1 759312854 MGJDKCUMOSSDON-INIZCTEOSA-N 445.510 4.151 10 20 IICD CC[C@H](C)n1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 760381023 FSIBJRUVKQTRKJ-YESZJQIVSA-N 428.552 4.414 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1NC(=O)NC(C)C 761753323 PHPIRCUGQCYMDG-UHFFFAOYSA-N 434.334 4.347 10 20 IICD CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2 764357032 QFYNESZKFOUXPC-OXQOHEQNSA-N 428.602 4.322 10 20 IICD C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1Cl 764911727 BULXHCMMQATOJI-GOSISDBHSA-N 427.976 4.150 10 20 IICD C[C@H](N[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 765331442 FZABQQYGSQTEFC-MOPGFXCFSA-N 429.992 4.264 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2c(Cl)cc(Cl)cc2C1 765677680 GGTKRXRPJBOHHN-UHFFFAOYSA-N 438.330 4.237 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)c2)CC1 767383758 SIIRZSIDBXKREP-UHFFFAOYSA-N 436.600 4.132 10 20 IICD COc1ccc([C@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)cc1Br 772126286 SNMKQJSWUXTSFH-CQSZACIVSA-N 445.100 4.144 10 20 IICD COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 773752194 WSKLLPNZUNMCQQ-AWEZNQCLSA-N 438.436 4.168 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 773765239 VQQHVVHGVPYDCL-QRWLVFNGSA-N 434.378 4.433 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 775206380 NJXKOCCYWFGHHO-UHFFFAOYSA-N 443.345 4.462 10 20 IICD Cn1nccc1[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 775660911 ZZPOGVJMYWTSGR-LLVKDONJSA-N 429.156 4.030 10 20 IICD C[C@@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(N2CCOCC2)cc1 776010153 ZTRRZFCLUXPNRG-BFUOFWGJSA-N 443.416 4.465 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 777665041 AIGJJGCNONGCQY-UHFFFAOYSA-N 433.511 4.106 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(COc2ccc(F)cc2)o1 777828695 OUGJOMWEQAVYNJ-UHFFFAOYSA-N 447.846 4.172 10 20 IICD Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 778079328 ZAIKPZLATNXKGD-UHFFFAOYSA-N 425.491 4.196 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 780939700 NGIFLCIALIZEKB-UHFFFAOYSA-N 441.535 4.404 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)ccc1C 783483375 VDJVGWHDAWFXHQ-QGZVFWFLSA-N 431.492 4.097 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3Oc3ccccc3)cc2)CC1 786654933 AAWHFGJVUJZKJC-UHFFFAOYSA-N 429.520 4.077 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 787466516 VLXQPKSXAAWGLV-INIZCTEOSA-N 433.936 4.116 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 788940851 YTHCVCLHCHXQEF-UHFFFAOYSA-N 441.522 4.153 10 20 IICD CN(C)c1ccc([C@@H](CNc2ccc(C(F)(F)F)nn2)NC(=O)OC(C)(C)C)cc1 795228007 XLIQSELUPTYRML-OAHLLOKOSA-N 425.455 4.239 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3c(Cl)cncc3[N+](=O)[O-])c2C)cc1 795248182 YFNZTYZNGKJHCL-UHFFFAOYSA-N 443.843 4.099 10 20 IICD C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 798896113 QXJNLZREFCPZDY-HNNXBMFYSA-N 435.387 4.086 10 20 IICD COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811705939 SVTGPWLHMPVWDR-UHFFFAOYSA-N 435.523 4.119 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 812453116 HCQMIEHEWZTAFK-UHFFFAOYSA-N 445.441 4.469 10 20 IICD O=C1/C(=C\c2ccc(SC(F)(F)F)cc2)SC(=S)N1CCCN1CCOCC1 814284892 CRHVLYSZJSQHSE-NTCAYCPXSA-N 448.557 4.222 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCCOC2=O)cc1 815635824 JUNZCQSVLXJWJN-QZTJIDSGSA-N 427.520 4.421 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1cc(C)ccc1C 819526028 XJMPIIXOQCOSGN-UHFFFAOYSA-N 426.557 4.461 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cccn4)nc3)c2C)cc1 825841629 NHLULJGTHLONOU-UHFFFAOYSA-N 444.491 4.113 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2c(O)cccc2Br)cc1OC 877853839 NIGFSDLBSLCKCP-IBGZPJMESA-N 447.329 4.120 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2cccnc12 906373069 ONDDVKZINKOECD-UHFFFAOYSA-N 439.518 4.239 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl 915220182 IDUYWSDDNUFAHH-UHFFFAOYSA-N 425.875 4.181 10 20 IICD CCOc1cc2c(cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)O[C@@H](C)C2 915933831 PMNDZUBULBORBZ-UWJYYQICSA-N 440.540 4.005 10 20 IICD CCCC(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917637978 MJIMRJXEGRENMY-JOCHJYFZSA-N 447.539 4.115 10 20 IICD Cc1cc(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(C)n1-c1ccc(F)cc1 920749304 MZNVMVAPYNJSCZ-HSZRJFAPSA-N 449.526 4.072 10 20 IICD C[C@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 920920934 RROOXANJEUIVPT-GHTZIAJQSA-N 429.586 4.037 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 920940123 WWHVHJXDFCIZFB-HDICACEKSA-N 445.633 4.261 10 20 IICD CC(C)n1ncc2c1[C@@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CCC2 1116628512 BIYCWJCWYUFKIX-FVJLSDCUSA-N 443.567 4.094 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)ccc21 1318273897 HEIBVJSRJBXNHR-UHFFFAOYSA-N 434.536 4.498 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1)c1cc(O)nc(O)c1 1788429101 VGSUTDJIZKIAOA-NHCUHLMSSA-N 443.503 4.044 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC 107002463 UHWNXLBDEGOSJD-UHFFFAOYSA-N 440.327 4.373 10 20 IICD COc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)ccc1OCC(F)(F)F 471615059 YWMPBYVJTGJAMX-UHFFFAOYSA-N 435.446 4.436 10 20 IICD CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486978523 UEANVNZFBPSRHN-LAUBAEHRSA-N 427.589 4.062 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1 726565918 MTULCVGGADKHFC-UHFFFAOYSA-N 429.467 4.035 10 20 IICD Cc1cccc(C2(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCCC2)c1 728749024 CUBRSWNMZMFIOF-UHFFFAOYSA-N 425.548 4.364 10 20 IICD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 728839663 VBZLIWWURVVCKY-JOCHJYFZSA-N 447.501 4.180 10 20 IICD CCN1CCN(c2ccc(CNC(=S)Nc3ccc(OC(F)F)cc3)cc2F)CC1 730155944 DSDOTOPLKZHTAI-UHFFFAOYSA-N 438.519 4.056 10 20 IICD CCCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 731048636 OJRRUKYVCCIURL-UHFFFAOYSA-N 428.621 4.151 10 20 IICD O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 731848109 SERDTXDRKSRWQZ-JOCHJYFZSA-N 436.552 4.272 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(Br)cc1F 732241406 IGAUMSRTPYPCGT-UHFFFAOYSA-N 438.366 4.141 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCO[C@H]1CCCc2ccccc21 733850640 WWPKDMAAEWKKIL-VWLOTQADSA-N 437.584 4.149 10 20 IICD Cc1c(C(=O)NCCCSc2nccs2)cnn1-c1cccc(Br)c1 733973283 YHQRQPHJPULTNW-UHFFFAOYSA-N 437.388 4.312 10 20 IICD O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 735517861 FTXVQBLHEIEYNO-HXUWFJFHSA-N 435.499 4.027 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](OC)c3ccc(Cl)cc3)CC2)cc1 736403280 RTAMIPIVCPZKRT-HTAPYJJXSA-N 431.964 4.347 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)n2)cc1 737382885 VTSPHITXZVYNMI-UHFFFAOYSA-N 435.502 4.107 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 737860142 ZUCRCMFNYWBXAQ-XMMPIXPASA-N 431.536 4.345 10 20 IICD Cc1cccc([C@H](C)CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 741270368 OYYOYZWQCRMIFA-QGZVFWFLSA-N 435.490 4.453 10 20 IICD Cc1ccccc1-n1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 742799421 ADUNOMPKTNZVNE-SFHVURJKSA-N 426.467 4.181 10 20 IICD COc1cccc(CNC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1O 745512144 ILQCEFXNVADUKR-HXUWFJFHSA-N 437.565 4.061 10 20 IICD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N(CC)CC)c(F)c3)ccc2NC1=O 745933160 UFZSEDFUBSNMDU-VFNWGFHPSA-N 442.535 4.342 10 20 IICD COCCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(OC)c(OC)c1 746475812 YTNUPWWYKCIHFD-UHFFFAOYSA-N 446.853 4.468 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(C(C)=O)ccc1Cl 751464163 BXCHCPGMEAOHDW-UHFFFAOYSA-N 446.750 4.222 10 20 IICD CCCCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC 752808837 NDYHCWQZCWQQOG-UHFFFAOYSA-N 426.557 4.373 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1 752834565 IVBZAESXEPXCLZ-SIKLNZKXSA-N 435.572 4.147 10 20 IICD C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nc(Cc2ccccc2)no1 753040425 WLPLWJYXZJUTID-KRWDZBQOSA-N 432.480 4.432 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(N)cn2)c(C)n1-c1ccc(OC(F)F)cc1 753887565 KQUVQJARJDJWOV-CQSZACIVSA-N 429.423 4.101 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC=C(c2ccccc2)C1 758370671 WNTFHINSSCENFK-UHFFFAOYSA-N 431.458 4.151 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 760305580 SYEFZQFFNRHKDJ-UHFFFAOYSA-N 442.971 4.058 10 20 IICD Cc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)s1 764533996 NXRIKEPAXPIVPL-UHFFFAOYSA-N 430.374 4.447 10 20 IICD Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 765257812 ZTSNKWHEYVLHHQ-OXJNMPFZSA-N 435.597 4.066 10 20 IICD COc1cc(Br)cc(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1O 769402067 SSNGIJCPDDCINI-INIZCTEOSA-N 439.737 4.054 10 20 IICD COc1cc(SC)ccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 772658662 WLAPNWDHOARKGO-HUUCEWRRSA-N 433.549 4.492 10 20 IICD C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 775201820 GLOULDZAAUZFSD-SFHVURJKSA-N 448.542 4.111 10 20 IICD COCc1nnc(-c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2)o1 776300668 AJCRPOPSCMNEFH-UHFFFAOYSA-N 446.507 4.385 10 20 IICD CN(C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(Br)n1 776374128 ULTCNFAQNTUTKV-UHFFFAOYSA-N 448.324 4.428 10 20 IICD Cc1cc(Br)cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 777130663 VEAGTZCKQFCNGL-UHFFFAOYSA-N 443.297 4.224 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 777665976 CKADDQUWJMZEHR-UHFFFAOYSA-N 448.482 4.006 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(Br)c3Cl)CC2)cc1F 779932036 WCLBXIYGMQXUAH-UHFFFAOYSA-N 427.701 4.213 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1 787853363 DMLOFTUVRWTINH-QGZVFWFLSA-N 445.510 4.114 10 20 IICD O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)CCCN1c1ccc(Cl)cc1Cl 788973269 QPKTUMYTJOORML-HXUWFJFHSA-N 434.367 4.115 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 790416105 PZJAQINTRMGEFZ-KRWDZBQOSA-N 425.934 4.357 10 20 IICD CSc1ccccc1CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 792543470 VXHFKTBVPNMEGU-UHFFFAOYSA-N 448.591 4.249 10 20 IICD CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1 794015434 FECMZDFAHQTVPV-UHFFFAOYSA-N 446.550 4.242 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 797631587 ZCWJMHSHJKZESR-GJZGRUSLSA-N 429.517 4.436 10 20 IICD CCNC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 799878559 UPELDZCIPLSHTB-QGZVFWFLSA-N 442.991 4.325 10 20 IICD C[C@@H](SCC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 799900157 HCAACBMISOKCEO-OAHLLOKOSA-N 444.512 4.161 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccc(F)cc3)cc21 800049171 GZBFSIYDWHMGCU-UHFFFAOYSA-N 445.855 4.181 10 20 IICD Cc1nc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)cc2o1 800637035 SKCJLZRWDGCOEG-AWEZNQCLSA-N 440.931 4.281 10 20 IICD COCCN(Cc1ccccn1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800719601 LUIYZDGJLXNXMW-SFHVURJKSA-N 430.980 4.330 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 804587685 WTJPGEMLUCXGSE-GOSISDBHSA-N 427.614 4.479 10 20 IICD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513334 LLNSMBKKPLFDLE-UHFFFAOYSA-N 441.311 4.141 10 20 IICD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 807581198 QZZZVVVMUHCYMV-RBUKOAKNSA-N 445.563 4.483 10 20 IICD COc1ccc(N2CCCN(c3nnc(Cc4cccc5ccccc45)n3C)CC2)cc1 809832395 KGONAIQGFCCLEM-UHFFFAOYSA-N 427.552 4.284 10 20 IICD O=C(OCc1ccccc1)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 810168447 BZDZNOQAWRYBLO-UHFFFAOYSA-N 434.511 4.309 10 20 IICD CC[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1O 810218192 PPAUFYORKUJDCO-AWEZNQCLSA-N 448.429 4.013 10 20 IICD OC[C@@H]1Cc2ccccc2N(Cc2cc(Br)cc(Br)c2O)C1 814169971 QNRLCCNSPMJYLN-LLVKDONJSA-N 427.136 4.088 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1)C1CCCCC1 815430461 LUHHIMYFCGAGCT-NRFANRHFSA-N 435.568 4.214 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(Cc1ccccc1F)C1CC1)c2[N+](=O)[O-] 823148880 VQXUWUZOANCFOT-UHFFFAOYSA-N 444.418 4.314 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(NCc2cc(C)cc(Br)c2O)cc1 863988591 WVPHKMKVVYWRDW-UHFFFAOYSA-N 427.364 4.106 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 914506507 PGGVLLDGXUWTSV-UHFFFAOYSA-N 432.568 4.240 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccccc2Br)c(C)n1-c1ccccn1 914613433 QLUBMEWAOWNKDJ-UHFFFAOYSA-N 428.286 4.047 10 20 IICD CCCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1Cc1ccccc1 917822209 PGSXYGYMEXPUQR-UHFFFAOYSA-N 432.568 4.245 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1Br 917846247 NHMMXMIWKLOHOF-UHFFFAOYSA-N 446.329 4.343 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCSc2ccc(Cl)cc21 918203003 RHKWYIBVQDTNQV-GOSISDBHSA-N 435.952 4.352 10 20 IICD CN1CCN(c2ccc(CN(CCCOc3ccccc3)C3CCOCC3)cc2F)CC1 1324006072 BYLQZIMIHXSUIY-UHFFFAOYSA-N 441.591 4.028 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Sc4ncccn4)cc3C)CC2)cc1 111109645 YRQMAZJWZMBIFW-UHFFFAOYSA-N 435.553 4.299 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 236968992 QURAIURQWQMATR-HXUWFJFHSA-N 437.609 4.472 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 541097490 ZJSJCVYEDRGTIS-UHFFFAOYSA-N 435.484 4.023 10 20 IICD O=C1/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1CCc1ccccn1 726196952 HSFQZFKVVVYCSR-YFQSIASUSA-N 426.563 4.083 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1ccccc1)Cc1ccncc1 727034554 VKLYUQBWCLMMSN-UHFFFAOYSA-N 448.542 4.012 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1F 731365033 ZPQDONZMOLIJDB-UHFFFAOYSA-N 436.572 4.118 10 20 IICD Cc1cc(CC(=O)N2CCC(c3nnc(S)n3C)CC2)c(C)n1-c1ccc(Cl)cc1 731635099 WSJHEQRRLIZQOO-UHFFFAOYSA-N 444.004 4.113 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)CC2)cc1 732458491 ICABKJXXRWYIND-FQEVSTJZSA-N 438.355 4.004 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1C 737379771 FWFGKINJDUUDLZ-UHFFFAOYSA-N 427.551 4.366 10 20 IICD O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NCc1cccc(Br)c1O 738438806 FQIZPNUFJJYYBF-OAQYLSRUSA-N 439.353 4.172 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)n2)cc1 743046239 RGDTTYYOELHIAG-UHFFFAOYSA-N 444.534 4.236 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)cc1)C1CCCCC1 743414838 YICOTYMLIWFDKW-HSZRJFAPSA-N 446.595 4.087 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1)C1CCCCC1 743421545 MBMACLPVPGLASM-UHFFFAOYSA-N 448.567 4.059 10 20 IICD CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 743551344 BELIOILDFQZMGO-FPOVZHCZSA-N 430.593 4.170 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@H]1Cc2ccccc2NC1=O 743808860 HQUDXIHKTRTESQ-HNNXBMFYSA-N 431.330 4.094 10 20 IICD COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)s1 749008281 UGNLNEASHCUXHB-UHFFFAOYSA-N 444.943 4.121 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)nc2c(Br)cccc12 749925429 ABOJNNOBIFISOS-UHFFFAOYSA-N 428.330 4.431 10 20 IICD O=C(OCc1ccc(-n2ccnc2)nc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 750311400 DGNPKCITVBJFJR-UHFFFAOYSA-N 443.846 4.053 10 20 IICD COc1ccc(N2CCC(NC(=O)NC3CCC(N4CCC(C)CC4)CC3)CC2)cc1 752664611 MKBIIMKXRFNVGQ-UHFFFAOYSA-N 428.621 4.006 10 20 IICD CC(C)CCn1ncc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C(C)C 753320200 WSWMEIBLJPXWFG-UHFFFAOYSA-N 431.556 4.350 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)CC2)cc1F 753882912 IPDRNXLDFRUALC-UHFFFAOYSA-N 445.388 4.269 10 20 IICD C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)c(F)cc1O 756351419 KBGSEWHXGVYRFM-ORAYPTAESA-N 441.316 4.157 10 20 IICD C[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(Cl)c1O 756608899 QYIBQXAQCCXFON-VLIAUNLRSA-N 439.781 4.096 10 20 IICD O=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 757040609 BUCAFDJUOBTVDW-UHFFFAOYSA-N 447.554 4.110 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 758693631 GNTLZCQZWFYVHT-ICSRJNTNSA-N 430.593 4.122 10 20 IICD COCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)cc1 760018943 RWOJNSFNBLFKRG-HXUWFJFHSA-N 430.614 4.338 10 20 IICD C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 760093160 VOGSYJOVECRJEQ-HXUWFJFHSA-N 445.567 4.080 10 20 IICD COc1ccc(N(C)Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC 761219657 ACGIGNYMCAGXOR-UHFFFAOYSA-N 425.554 4.300 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccccc3OCC(F)F)cc2F)C[C@@H](C)O1 762220280 OOBZQRLDATVQSV-HUUCEWRRSA-N 437.462 4.405 10 20 IICD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1O)O[C@H](C)C2 765750744 KXHZKWNWADTRKZ-PVUWLOKVSA-N 446.341 4.297 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nnc(CC(F)(F)F)s1 766239936 KLDOWDYAZBLUCR-UHFFFAOYSA-N 439.257 4.165 10 20 IICD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769602600 MWORBJWUZSZRSF-UHFFFAOYSA-N 447.494 4.032 10 20 IICD CCSc1ccc(Cl)cc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 772910180 MFPRNACHAFQSFH-UHFFFAOYSA-N 437.968 4.156 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](C[C@H]2CCOC2)C1 774236383 XARVZWCBXXNTGL-GUDVDZBRSA-N 437.531 4.105 10 20 IICD C[C@H](NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 774733710 LSFMEUUTIKDINB-FQEVSTJZSA-N 429.564 4.268 10 20 IICD Oc1c(Br)cccc1CNCc1cnn(-c2ccc(Br)cc2)c1 775029557 PGBMOJLGKYBJCS-UHFFFAOYSA-N 437.135 4.393 10 20 IICD COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1OC 775255727 OYTFFCKRKDBKPN-OAHLLOKOSA-N 435.362 4.154 10 20 IICD CC(C)=CCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 775279101 DXWFRYJBTCSSQB-ZROIWOOFSA-N 426.357 4.160 10 20 IICD C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc(N(C)C)cc1 775402525 FKQOLOHIAOMDNP-INIZCTEOSA-N 427.508 4.372 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2ccc3nnc(-c4ccsc4)n3n2)C1 775475867 QOEOVXWLKHFUGN-QGZVFWFLSA-N 440.960 4.288 10 20 IICD Fc1cc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)ccc1N1CCOCC1 779018703 BRONASFUJQXNCA-VXKWHMMOSA-N 449.364 4.435 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3noc(-c4ccc(F)cc4F)n3)cs2)cc1 781211467 VDBDCYIUPFSTLK-UHFFFAOYSA-N 428.420 4.001 10 20 IICD O=C(NCCc1ccc(F)c(F)c1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 784483121 DBGVGJPBSUUEKR-UHFFFAOYSA-N 443.416 4.216 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 785296831 JAUTVVFWNQJUMQ-CQSZACIVSA-N 440.883 4.229 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC[C@@](C)(O)CC2)sc(C)c1-c1ccccc1 791629047 RCOMXLMWDQXLEF-XMMPIXPASA-N 444.597 4.466 10 20 IICD COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(O)c1 794380956 GLKRGMFHNMYPCK-UHFFFAOYSA-N 446.532 4.057 10 20 IICD COC(=O)CC1(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCOCC1 803575782 NZGRZBWSYSKHJV-UHFFFAOYSA-N 438.528 4.258 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Oc2ccccc2)nc1 804104656 LKIFDDFVDSGEKG-UHFFFAOYSA-N 433.508 4.025 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1 806169690 JADRJWTYEONTLU-YADARESESA-N 437.584 4.146 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1 812672368 CRAOBWRQTRQHPY-VWLOTQADSA-N 433.552 4.474 10 20 IICD COC1(CCOC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1 815186243 MSAOKKMGXRYESH-FYWRMAATSA-N 425.597 4.232 10 20 IICD COc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)nc1 815524504 WECUWMSXLOOCMW-UHFFFAOYSA-N 434.279 4.239 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1NC(=O)C1CC1 815715656 OYBKXRQYRGNJQX-MRXNPFEDSA-N 429.467 4.035 10 20 IICD O=C(c1cn2c(Br)cnc2s1)N(Cc1ccco1)Cc1ccccc1O 815796749 JVQOGGKFSMZHOX-UHFFFAOYSA-N 432.299 4.300 10 20 IICD C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 821699864 QUZNBUDPVLKBNI-OAHLLOKOSA-N 428.444 4.121 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2F)C[C@@H](C)O1 916678021 BIWXYTXERMATRH-IYBDPMFKSA-N 440.519 4.110 10 20 IICD C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917066906 XFEFRNPGDDXVDL-KURKYZTESA-N 447.982 4.402 10 20 IICD Cc1cc2occ(CC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2cc1C(C)C 917832209 NLVFFHBNZUZAND-HXUWFJFHSA-N 447.579 4.425 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c(F)c1 917879082 YITBMXUNJPAPPJ-UHFFFAOYSA-N 445.400 4.260 10 20 IICD CCN(CC)[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccsc1 918007093 ZFPPEPKPTMVAJD-QFIPXVFZSA-N 430.618 4.062 10 20 IICD COc1ccccc1CN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 918219005 BJVVMKWRCJWUQD-QZTJIDSGSA-N 441.547 4.322 10 20 IICD O=C(Nc1ccc2oc3ccccc3c2c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294031 BNSKVBKJAPIKLQ-IBGZPJMESA-N 444.487 4.438 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nc(Cc3ccccc3)no2)cc1 921124280 VLPAOMJRAOPMTJ-UHFFFAOYSA-N 445.523 4.231 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@]2(C)CC2(F)F)C3)cc1 1800514743 ATBHJJTYDUXITG-UQWVPHONSA-N 441.522 4.391 10 20 IICD CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811263167 BUTZHLYAPDCNGS-DHLKQENFSA-N 430.552 4.219 10 20 IICD Oc1ccccc1CN(Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCCO1 302835021 ZEPNDXPIKQTAIE-MRXNPFEDSA-N 444.329 4.386 10 20 IICD Cc1cc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C)n1-c1ccc(C#N)cc1 303136024 CBIFKALZGLRRNT-DEOSSOPVSA-N 442.519 4.013 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)s1 727250135 HGCPEYHMKXOPQR-SNVBAGLBSA-N 425.532 4.009 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)ccc21 728521014 VOIJPCQITGBUBG-UHFFFAOYSA-N 435.568 4.312 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 728979287 DYBLAROQTQSGDH-QGZVFWFLSA-N 431.492 4.427 10 20 IICD COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 730172904 BALHJLGXWXBUFO-OVVXSAMCSA-N 426.532 4.253 10 20 IICD COc1ccc(N2CCCN(C(=O)NC3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 734866438 ZBQPKRMOZSEJGS-NRFANRHFSA-N 436.600 4.143 10 20 IICD O=C(NCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C1CCCC1 735519000 NAGLLCBFUCIQIJ-QHCPKHFHSA-N 436.552 4.020 10 20 IICD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCCC2)cc1 742475260 ATUREJKAIRHXBT-VWLOTQADSA-N 446.595 4.158 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)cc1F 742652903 FBVQJZXLICJCLG-QGZVFWFLSA-N 441.576 4.209 10 20 IICD O=C(Cc1ccc(Br)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798152 KQWDGYXBALDDDN-INIZCTEOSA-N 439.300 4.378 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 742804749 BDDWNUIYMZMGSO-CYBMUJFWSA-N 425.819 4.248 10 20 IICD OC1CCN(c2ccc(CN[C@@H](c3cccnc3)c3ccc(F)cc3F)cc2F)CC1 753624588 ONFVWUWZUUZALW-DEOSSOPVSA-N 427.470 4.339 10 20 IICD COc1cc(Cl)cc(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1O 761194687 CVUBREHVCYUXNI-ZDUSSCGKSA-N 434.949 4.045 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(Br)cc(OC)c3)CC2)cc1 766487595 YZKKWQHLXZAVOE-UHFFFAOYSA-N 434.334 4.211 10 20 IICD CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1 766742787 BTSMXUDKRMJQNE-UHFFFAOYSA-N 428.333 4.032 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(C3CCOCC3)c2C)cc1 766882344 ANHDNYVMEDRYLX-UHFFFAOYSA-N 448.567 4.465 10 20 IICD CCCS(=O)(=O)NC1CCN(Cc2ccc(N(CC)Cc3ccccc3)cc2)CC1 768264475 PXAGGSKPKHJOPI-UHFFFAOYSA-N 429.630 4.007 10 20 IICD COc1cc(O)c(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC 768444653 MXCVVODULVVGEL-HNNXBMFYSA-N 429.904 4.492 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 768983507 OGVVRZDMABLGDI-FQEVSTJZSA-N 439.453 4.497 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 772999133 LIAWSCAVWYHZMP-YWZLYKJASA-N 434.005 4.135 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1 776038752 JDCSIGWXGPCBTQ-UHFFFAOYSA-N 425.501 4.196 10 20 IICD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 776633763 XBEUSNPWIGGIQF-FPOVZHCZSA-N 429.948 4.015 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](CCc1ccccc1)C(F)(F)F 778773317 NXOADBUATVEHIT-JOCHJYFZSA-N 449.517 4.258 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1O 779014536 WVNWEGIEWRQMQG-RDJZCZTQSA-N 446.389 4.016 10 20 IICD CCCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(Cl)c1 781045103 DVABIYNGKOHYBD-UHFFFAOYSA-N 429.948 4.440 10 20 IICD O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N(Cc1ccccc1O)C1CCCCC1 781956336 SNOHPQCLBHPFLT-XMMPIXPASA-N 437.584 4.003 10 20 IICD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782790731 UXULAPIUPQENIN-SFHVURJKSA-N 446.617 4.272 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sc4cc(C)ccc4c3Cl)cc2)CC1 786256809 WLOSDGBBWJBPEK-UHFFFAOYSA-N 441.984 4.462 10 20 IICD O=C(OCc1nnc(-c2ccco2)o1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 789320607 LUINBSQSUIDOLU-UHFFFAOYSA-N 434.791 4.115 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 789558171 LAAYKDATVHLZKC-UHFFFAOYSA-N 430.291 4.358 10 20 IICD CO[C@@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 794181859 UNFWOSYFTHNBRE-VISDOYDDSA-N 438.640 4.147 10 20 IICD COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c(O)c1 794381428 NLANQZXXOAIKPL-XXBNENTESA-N 436.533 4.181 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccnc(F)c2F)c(C)n1-c1ccc(OC(F)F)cc1 795666869 HHTOPAJLXGFFIM-UHFFFAOYSA-N 436.361 4.408 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cnccn2)c(C)n1-c1ccc(OC(F)(F)F)cc1 795919418 WLXFVXMPEHALGJ-UHFFFAOYSA-N 447.413 4.141 10 20 IICD CC1CCN(c2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 796762303 OPJBHGAJYUGGGD-UEVCKROQSA-N 431.621 4.331 10 20 IICD Cc1cc(CNCc2cc(Br)ccc2O)ccc1I 798497965 ITBWEFLAOSVUKR-UHFFFAOYSA-N 432.099 4.358 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](c4ccnn4C)C3)cc2Cl)C1 801062216 UZDASRUEMXIQED-IEBWSBKVSA-N 429.996 4.399 10 20 IICD CN(C)c1nc(CNCc2ccccc2O)c(Cl)n1-c1ccc(Br)cc1 802645243 SJDBBFITZBQKBR-UHFFFAOYSA-N 435.753 4.350 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1F 804853470 YLDKDGNATFBESF-UHFFFAOYSA-N 437.515 4.110 10 20 IICD C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O 806660944 SEFFEPNJMHXUAO-STQMWFEESA-N 441.753 4.469 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 807292575 UEMZSDGEECRLDG-UHFFFAOYSA-N 435.543 4.180 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 807506364 VRKUYQDGPPDKOZ-IRLDBZIGSA-N 425.548 4.083 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)C2CCCC2)cc1 807837339 LZSZKDDFDPUYFR-UHFFFAOYSA-N 428.337 4.345 10 20 IICD Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 808528755 OGCJHYNHSHRZKI-UHFFFAOYSA-N 440.550 4.232 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(Cc1ccccc1)C1CC1)c2[N+](=O)[O-] 881532614 HYWHBBUTKISDSS-UHFFFAOYSA-N 426.428 4.175 10 20 IICD Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 900414215 HZDTVPWEBSBQJE-HXUWFJFHSA-N 435.499 4.394 10 20 IICD CCCNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 915768780 KEKDSSNZWJYXLR-UHFFFAOYSA-N 443.507 4.497 10 20 IICD CCCOc1c(Br)cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1OC 918371748 CGQZKQSUXAUWPL-UHFFFAOYSA-N 449.345 4.335 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3N3CCCC3)cc2F)C[C@@H](C)O1 919907139 AHXZKCBGAFWRKL-KDURUIRLSA-N 440.563 4.039 10 20 IICD O=C(NCCCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1 920421951 AFVFHXYKOQOMFM-UHFFFAOYSA-N 449.517 4.346 10 20 IICD O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCc1ccc(N2CCSCC2)cc1 920886727 WWEINCFPNGAYNW-UHFFFAOYSA-N 441.597 4.285 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCS(=O)(=O)CCc2ccccc2)c1 1116932456 GDQNPZZHPCQGSI-UHFFFAOYSA-N 444.984 4.135 10 20 IICD CN(c1ccc(CNC(=O)N2CCn3c(nnc3C3CCCC3)C2)cc1)C1CCCCC1 1117394357 YBXRIDMBMBCVND-UHFFFAOYSA-N 436.604 4.430 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N=c2cc(C)n3[nH]c(C(F)(F)F)nc3n2)c1 1317749793 WGRFMCVYIRFDID-UHFFFAOYSA-N 448.836 4.187 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 1318706273 NJJNYNXDPNNYLL-QGZVFWFLSA-N 435.911 4.205 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(c3cccc(OC)c3)CC2)cc1F 1321649311 BZRHFEIWNJMIKJ-UHFFFAOYSA-N 428.552 4.149 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@H]3CC3(F)F)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789136781 MNXXHIOSYAXBKS-CQSZACIVSA-N 436.842 4.154 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N[C@H]1CCOc2ccccc21 21729058 MVKGAVAXOPFYCC-FPOVZHCZSA-N 449.576 4.461 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2F)C[C@@H](C)O1 72002842 WUEGZIXXAHNGOY-CALCHBBNSA-N 429.511 4.453 10 20 IICD CCN(CC)c1nc2sc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2s1 108785946 VUMONPGJKAUKTC-UHFFFAOYSA-N 444.626 4.313 10 20 IICD COc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccccc1 237252043 BABUTUASLGKXGS-UHFFFAOYSA-N 448.563 4.409 10 20 IICD Cn1ccnc1[C@@](O)(CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(F)(F)F 725849336 KTJRXUKPEJDGHA-NRFANRHFSA-N 427.511 4.260 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3c(C)cccc3C(=O)N3CCCC3)CC2)cc1 726699258 XKWCEFSSPXVIKB-UHFFFAOYSA-N 436.556 4.030 10 20 IICD CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 729788268 SLJWHRHSXMAMBV-UHFFFAOYSA-N 439.556 4.118 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c(C)n1-c1ccccn1 733783141 XCKLBIAVIYKWKZ-UHFFFAOYSA-N 437.503 4.339 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 734074953 WXILJBNUFCDLSF-UHFFFAOYSA-N 445.397 4.195 10 20 IICD CSCC[C@@H](C)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 736063235 MFOYVKMOLQAIRE-DKXRRRNBSA-N 428.670 4.330 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 736986264 KUVOVZYFAAWWHS-HOTGVXAUSA-N 439.491 4.119 10 20 IICD CCOC(=O)Cc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 738959199 FCKDVUXNQYDMIX-UHFFFAOYSA-N 447.482 4.184 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(OCc4cccs4)c3)c2)CC1 739773442 HFKJUZSPJMBCQR-UHFFFAOYSA-N 435.549 4.281 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)ccc21 740609894 OLCHXCOLLXWRKF-UHFFFAOYSA-N 427.570 4.023 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 740801363 ZNROHSLOYXLRRU-NRFANRHFSA-N 447.535 4.094 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)ns3)cc2F)C[C@@H](C)O1 742245907 PSLQWNDZNWDAEC-HZPDHXFCSA-N 425.529 4.493 10 20 IICD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742423036 AGQTYMSVRQDXRZ-CQSZACIVSA-N 448.426 4.234 10 20 IICD CC(C)(C)n1ccnc1SCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804939 CTYXAFXIIFMYKD-HNNXBMFYSA-N 438.544 4.117 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC2CCOCC2)cc1 742806565 RQQUVHZVUWRAIM-SFHVURJKSA-N 446.494 4.245 10 20 IICD COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743669536 BYAPDPOLAZGJMA-IAGOWNOFSA-N 449.498 4.032 10 20 IICD CCSCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 745609978 SRKMBEXQQRLGTB-OAHLLOKOSA-N 433.540 4.215 10 20 IICD COc1ccc([C@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1 749295794 BCTMOAJCVAWDNO-AREMUKBSSA-N 435.543 4.238 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 749730818 FSJIQWVYHMBTPG-UHFFFAOYSA-N 439.990 4.355 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(-c4cnn(C)c4)oc3C)c2C)cc1 752600040 PDIDQILVVSZWQR-UHFFFAOYSA-N 432.480 4.139 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)n1 753901149 GAKLRPNMEZXAMQ-NRFANRHFSA-N 434.496 4.496 10 20 IICD C[C@@H]1CN(C(=O)c2ccc(CN[C@H](C)c3cc(Br)ccc3O)cc2)C[C@@H](C)O1 756480279 URRCEXGVLKIDGS-BZUAXINKSA-N 447.373 4.255 10 20 IICD C[C@H](CCCC(F)(F)F)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 757643191 DCSIDXODXADNDL-LLVKDONJSA-N 436.477 4.105 10 20 IICD COc1cc(C)ccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 757729754 WUEBSKSCGQZVIX-PDGQHHTCSA-N 446.619 4.363 10 20 IICD C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)NCc1ccc(CN2CCOCC2)cc1 759714560 SJKKWYZLEVIGGY-INIZCTEOSA-N 433.643 4.070 10 20 IICD COc1cc(N2CCN([C@@H](C)c3cccc(Br)c3)CC2)cc(OC)c1OC 759873583 WBWWIRXBMGRYAC-HNNXBMFYSA-N 435.362 4.358 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1cccc(Cl)c1)N1CCCC1 761006955 XJJHDRCBFYJORT-IBGZPJMESA-N 448.350 4.300 10 20 IICD C[C@@H](c1ccccc1)N1CC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O 761158621 KTPVFNZJDCNQCZ-INIZCTEOSA-N 429.467 4.282 10 20 IICD Cc1cncc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)c1 761578162 XIBZHPIDZOMUQY-OQLLNIDSSA-N 428.564 4.336 10 20 IICD CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 762023463 GQZBRVNNRQNESO-QGZVFWFLSA-N 442.541 4.175 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)cc1 764526476 ONUGCNJKPRHQSP-UHFFFAOYSA-N 425.539 4.062 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1cccc(Br)c1O 764782641 GRKLEAGWEAIJMM-GTNSWQLSSA-N 427.726 4.384 10 20 IICD COc1ccccc1[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nccn1C 764813102 CKIJNOVKBWUFOM-GAJHUEQPSA-N 440.975 4.359 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](COC)c3cccc(C(F)(F)F)c3)cc2F)CC1 765851975 ICUFTUYGMDSNLD-NRFANRHFSA-N 439.497 4.464 10 20 IICD C[C@H](NC(=O)NCC1(CCOCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 770359931 QZKUHUFXYMVJDD-NRFANRHFSA-N 437.584 4.271 10 20 IICD Cc1ccc(SC[C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 770536503 FYRUWOSJWBWJNS-IBGZPJMESA-N 427.614 4.184 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772597423 FQNZFYHZPSRBLO-BHDDXSALSA-N 427.495 4.284 10 20 IICD COc1cc(CN(C)Cc2cc(Br)cc(Br)c2O)ccc1O 775648800 XRDQOVCFYPFMQH-UHFFFAOYSA-N 431.124 4.263 10 20 IICD CN1CCN(c2ccc(CN3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2)CC1 775697909 JRLGWBHFPYCJTB-UHFFFAOYSA-N 444.982 4.082 10 20 IICD O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc(Cl)ccc1OC[C@H]1CCOC1 777668749 UIDZQYFMZKPMOB-INIZCTEOSA-N 436.961 4.156 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](CC3CCC3)c3ccccc3)cc2)C1 779337254 YCTVNUJYAZPSCQ-LADGPHEKSA-N 434.584 4.119 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cn1 782643382 FYSWCUFHIVOCCQ-NSHDSACASA-N 436.807 4.337 10 20 IICD O=C(Nc1ccc(Br)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897494 XUMYSDSDFHNFFH-UHFFFAOYSA-N 431.330 4.455 10 20 IICD Cc1ccccc1-c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n(C)n1 784062260 ILPXVAMHJWPXMI-UHFFFAOYSA-N 431.540 4.282 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2cc(Br)ccc2C1 790198783 SNYPHGGWEXXGCM-UHFFFAOYSA-N 446.414 4.270 10 20 IICD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 792105018 XIDDSJBERFAJRF-VWLOTQADSA-N 444.531 4.356 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc(Cl)c1F 792278515 AECWIARPQNLYCC-UHFFFAOYSA-N 447.894 4.152 10 20 IICD CN(C)c1ccc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(C(F)(F)F)c1 794932999 DHXLKZZQQVMVLV-LCYFTJDESA-N 429.398 4.124 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(Br)c1 795610934 PJGLEDAUIYGDHR-UHFFFAOYSA-N 425.329 4.382 10 20 IICD COc1ccc([C@@H](Cc2ccncc2)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 796699934 BOQRXMQZLPJWEJ-RUZDIDTESA-N 435.543 4.264 10 20 IICD CC[C@@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4CCCO[C@H](CC)C4)c23)CCCO1 799162959 DCBIVVZWOVEHCY-NHCUHLMSSA-N 442.600 4.253 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 799636483 QOKGWEGTXFCSCA-UHFFFAOYSA-N 441.578 4.192 10 20 IICD CCN1CCN(c2ccc(CNCc3cnc(NC(=O)OC(C)(C)C)s3)cc2F)CC1 800234133 JMNTUWNGLARCFQ-UHFFFAOYSA-N 449.596 4.061 10 20 IICD Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 807512904 BDGCXZZYUUONMC-UHFFFAOYSA-N 436.320 4.386 10 20 IICD O=C(CCSCc1nc(O)c2ccccc2n1)NCc1cc(Cl)cc(Cl)c1O 813684569 SDVCGTDWFRIJCC-UHFFFAOYSA-N 438.336 4.288 10 20 IICD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)/C=C/c3ccc(O)c(O)c3)n2)CC1 813778864 HDCISIMKHUGREW-FNORWQNLSA-N 445.541 4.321 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)Nc3ccccc3OC(F)(F)F)cc2F)C[C@H](C)O1 849107145 NSLSLBMTLDNDPR-KBPBESRZSA-N 440.441 4.474 10 20 IICD C[C@H]1CN(S(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)C[C@H](C)O1 863991468 WMELEDDLJKVEDH-STQMWFEESA-N 445.368 4.109 10 20 IICD O=C(CS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(N=Nc2ccccc2)cc1 916642193 RVTSQLLPRYSDNH-UHFFFAOYSA-N 437.477 4.286 10 20 IICD O=C(NC1CCCC1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916691510 LWKWXKPICUOEKM-JOCHJYFZSA-N 437.540 4.278 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 919791966 KUSVWRZAEVWDJN-AREMUKBSSA-N 427.548 4.381 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 920341514 FCWPNBRNNCYLAE-FQEVSTJZSA-N 425.573 4.159 10 20 IICD C[C@@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 920873285 SWOIVFAXPWBEIZ-DENIHFKCSA-N 439.556 4.354 10 20 IICD C[C@@H](COc1ccccc1F)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1318834700 ANGOURIZQJRGBC-JKSUJKDBSA-N 437.462 4.163 10 20 IICD C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccccc1 1791337615 QMQWMLPQXSXEDB-QGZVFWFLSA-N 445.519 4.434 10 20 IICD Cc1occc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792297812 KZOMEFNODZNUPP-ONNFQVAWSA-N 448.475 4.166 10 20 IICD COc1cccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 14805187 KMNPRSWCIWJGIF-NRFANRHFSA-N 437.565 4.146 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 40859602 WCGOMKCPBAFDGR-PDGQHHTCSA-N 429.519 4.286 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c2cnn(C(C)C)c2n1 96995225 SXFFRYJIXUXSRO-NRFANRHFSA-N 435.572 4.208 10 20 IICD C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOCC2)cc1 109181069 BGMOYHQWXZZBGT-MRXNPFEDSA-N 440.931 4.037 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nc(-c3cccs3)no2)cc1 302768526 LTEIRKGXGIVVFC-LJQANCHMSA-N 440.569 4.005 10 20 IICD C[C@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)c1ccc(N2CCOCC2)cc1 726246752 QEPOIZUVOBDYGY-IBGZPJMESA-N 438.572 4.190 10 20 IICD CC(C)(C)c1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726725649 DVYUYVRRIZVQEC-UHFFFAOYSA-N 445.510 4.309 10 20 IICD Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 726918450 OLVQDYCWNKJQQR-HUUCEWRRSA-N 443.544 4.323 10 20 IICD O=C1/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)SC(=S)N1c1cccnc1 728439730 NSPVXDXYIDOZRJ-FRKPEAEDSA-N 425.516 4.340 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1occc1CN1C(=O)Cc2ccccc21 728518595 JSBZITSQUROQSH-UHFFFAOYSA-N 429.520 4.289 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1 728939109 XWRMEBQPJVSGHT-GFCCVEGCSA-N 435.406 4.191 10 20 IICD Cc1ccccc1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 730120027 YCHKLWPSCAQLQG-UHFFFAOYSA-N 425.548 4.184 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731131103 GKDWRMHLLSVSIE-UHFFFAOYSA-N 429.948 4.148 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NS(=O)(=O)C[C@H]1CCOC1 731671307 AHJRSINJYRGXHH-HNAYVOBHSA-N 442.503 4.138 10 20 IICD O=C(NCCCSc1nccs1)c1nc(-c2cccs2)n(-c2ccccc2)n1 733878627 BREVNNJQWHEHHR-UHFFFAOYSA-N 427.580 4.365 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@@H]1CCCO1 735328396 ANOXOFAVTNTEBL-WZIKDTQPSA-N 442.562 4.418 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)ccc1I 735864952 ITCFTHKFTRXECU-UHFFFAOYSA-N 440.281 4.450 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(O)nc2ccc(F)cc12 737556071 XRHJHUWLFGKKRJ-UHFFFAOYSA-N 431.414 4.080 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 743131156 IFMOSQSWFBJKAX-UHFFFAOYSA-N 437.496 4.055 10 20 IICD Cc1c(Br)cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] 743248974 ZJWLOGCOGZQRFH-UHFFFAOYSA-N 440.319 4.067 10 20 IICD CC(C)Oc1cc(Br)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 746594484 ONASTBWMHXDOPK-UHFFFAOYSA-N 433.346 4.003 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(c3cnccn3)CC2)cc1 746603159 IJQZHHONXAHJLF-UHFFFAOYSA-N 445.567 4.001 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 746729444 KKFSXLFDDLSFQJ-UHFFFAOYSA-N 448.317 4.474 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)C[C@@H](C)O1 747544383 NKYYHTRTHNZZIB-SELNLUPBSA-N 439.556 4.219 10 20 IICD Cc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(Br)cc1 748586224 TVDWRTSLDRDXOE-HXUWFJFHSA-N 447.373 4.267 10 20 IICD COCCOCC(=O)NC1CCC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 749367895 PEDKTKCWEHNXBC-UHFFFAOYSA-N 438.528 4.379 10 20 IICD C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751066870 NPQMAPMODOFKBW-DOTOQJQBSA-N 442.562 4.273 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Oc1ccc(Br)cc1 753636556 NMJMPJUXFIVABH-CYBMUJFWSA-N 443.297 4.409 10 20 IICD C[C@@H](NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(N2CCOCC2)c(F)c1 753731280 CZHXDTLMISZIPJ-MRXNPFEDSA-N 428.483 4.135 10 20 IICD O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)Nc1ccc(N=Nc2ccccc2)cc1 755246669 FZZGGHYYPJHIFG-UHFFFAOYSA-N 444.407 4.466 10 20 IICD C[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(Br)c(F)cc1O 756851359 UDJRISYKHOLPQT-VXGBXAGGSA-N 448.296 4.258 10 20 IICD Cc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1Br 756935611 BEFVLRLUGALFAO-GJZGRUSLSA-N 435.337 4.440 10 20 IICD CN(c1ccc(CNC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1)C1CCCCC1 758740431 RLZNMESXKZKGJV-QHCPKHFHSA-N 448.611 4.303 10 20 IICD COc1cc(N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc(OC)c1OC 761218884 LEVQSCWEJOIUKC-UHFFFAOYSA-N 425.554 4.158 10 20 IICD C[C@H](NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 765453744 SGUPXGPERGJVPW-UUOWRZLLSA-N 447.982 4.040 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)s1 766494255 BJZDWVAGSJDPLL-UHFFFAOYSA-N 432.508 4.437 10 20 IICD O=C(N[C@H](c1cccs1)C1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769652394 IDOJNOBRLGWNBK-SFHVURJKSA-N 434.564 4.197 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)C2CC2)cc1 771825352 VOEXXKIZNZPOAJ-UHFFFAOYSA-N 441.535 4.212 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 773860329 YPSCDSOJYZCZGF-KRWDZBQOSA-N 433.508 4.369 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](c3ccc4nc(O)oc4c3)C(C)C)CC2)cc1 774375365 DQDRYOUOFPEXOL-DEOSSOPVSA-N 438.572 4.041 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@H](C)C2CCOCC2)sc(C)c1-c1ccccc1 775456815 DEBVWFOPMRQOLN-OAHLLOKOSA-N 430.570 4.243 10 20 IICD CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F 775979763 ALHOHXULXVQYLS-OAHLLOKOSA-N 441.416 4.318 10 20 IICD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1ccc(N2CCCC2)cc1 780364461 DZEYNMIVJHBDOV-RUZDIDTESA-N 443.547 4.170 10 20 IICD CSc1nc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2s1 783315442 DTKNPXPYQXPSHH-UHFFFAOYSA-N 442.610 4.460 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)C2CCCCC2)cc1 784061753 USOFGKMZQNTDFS-UHFFFAOYSA-N 438.597 4.126 10 20 IICD CC[C@H](C)Oc1ccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)cc1 785192323 BAAZEBKJLKXYRL-AWEZNQCLSA-N 449.345 4.319 10 20 IICD COC(=O)c1c(NC(=O)c2cnn(C)n2)sc(C)c1-c1ccc(Cl)cc1Cl 790222365 ALFFNNNXOLUDRN-UHFFFAOYSA-N 425.297 4.198 10 20 IICD CN(C)C(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1 793591295 GKIACZQPXATMKR-UHFFFAOYSA-N 428.124 4.231 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cscc3Br)cc2F)C[C@@H](C)O1 795360174 LNLXAPSPQOIHEB-VXGBXAGGSA-N 427.339 4.193 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cnc4ccccc4c3)cc2Cl)C1 800637020 SEWASDBTZXQSKZ-MRXNPFEDSA-N 436.943 4.379 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OCCc2ccccc2)nc1 804245105 PLDBUVJYHXFNOX-UHFFFAOYSA-N 437.883 4.031 10 20 IICD COc1ccc(CNc2cc(NCc3ccc(OC)cc3O)c3ccncc3n2)c(O)c1 804682492 OWRKMJIBWZWPAI-UHFFFAOYSA-N 432.480 4.282 10 20 IICD COc1ccc(-c2ocnc2C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 809727452 JIQHJVSRHOCSAZ-SFHVURJKSA-N 441.915 4.104 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(C2CC2)nn1-c1ccccc1 916673283 LRZKSQYXUIKXQX-UHFFFAOYSA-N 435.503 4.047 10 20 IICD CCCCCn1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2c1=O 917364617 KNOFEWZFJDZZHP-HXUWFJFHSA-N 449.551 4.114 10 20 IICD O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294053 CEXBVAQHIYVYQK-HSZRJFAPSA-N 430.504 4.206 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)C2CC2)cc1 921127760 YGZQTMQDSNFWHH-OAQYLSRUSA-N 430.593 4.216 10 20 IICD CCc1cc(N2CCC(NC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)CC2)ncn1 1252546621 IBWFUUATOXDVFN-UHFFFAOYSA-N 437.975 4.499 10 20 IICD CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832512566 JRJGNIUTRGGNTN-OVKVCFKUSA-N 434.964 4.197 10 20 IICD C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 237524193 ZHYZWQYUODPUKU-QGZVFWFLSA-N 449.517 4.421 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 248038160 JWKZZVLDHUSRLR-UHFFFAOYSA-N 429.520 4.048 10 20 IICD Cc1c(CNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)n(C)c2ccccc12 471239440 RZWNJPKCMVTUJM-RUZDIDTESA-N 439.515 4.359 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)ccc1OC(F)F 726197309 QFBYBNDSMGTHRX-OVCLIPMQSA-N 425.482 4.309 10 20 IICD CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1 726244517 DMRWQAMNMJUAQO-GCJKJVERSA-N 433.556 4.425 10 20 IICD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 726717819 FJYVAZSZVNDHPH-HSALFYBXSA-N 445.357 4.401 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727264329 QRTTWPDHFLLJOR-CPNJWEJPSA-N 430.526 4.077 10 20 IICD COc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C 728596551 FPLOCQCOEJHEOZ-HDICACEKSA-N 429.536 4.098 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc21 728639148 NVAQEWLVPSVJMA-HSZRJFAPSA-N 438.499 4.220 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)ccc21 728967121 IRKRBTBBSUWGJC-JOCHJYFZSA-N 434.458 4.084 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 728978970 AOGLDMLIFIMDKO-CYBMUJFWSA-N 438.484 4.340 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c1 729061521 GSYJDGOPOYAYJV-VIFPVBQESA-N 430.860 4.185 10 20 IICD COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 730482639 UKVMFCYPINOKKQ-FHWLQOOXSA-N 428.548 4.333 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 730533757 HGBINQFFTUFYSQ-XMMPIXPASA-N 438.474 4.238 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 731346643 NMFCVKYKWGSBEV-MHECFPHRSA-N 439.575 4.288 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2nc(O)c3c(C)c(C)sc3n2)cc1F 731346679 POUMUCYUYDZCIQ-UHFFFAOYSA-N 430.549 4.248 10 20 IICD Cc1cc(-c2csc(-c3ccccc3O)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 731675575 CCPRBDSJZCGTLU-UHFFFAOYSA-N 425.535 4.238 10 20 IICD Cc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1N1C(=O)CCC1=O 733033476 NAKHXAVHJQDJKN-UHFFFAOYSA-N 433.464 4.181 10 20 IICD Cc1cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 734177486 LUOZOQUVGGAFSP-KRWDZBQOSA-N 439.581 4.356 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cccc2c1OCCO2 735607194 JRYIBABVNWOKOR-UHFFFAOYSA-N 442.440 4.401 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 736381049 UOHNXCMAHYOXSK-JLHGSKIFSA-N 431.964 4.313 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)NC(=O)OC(C)(C)C)cc1 742750760 PKYAVLFJHZWHMF-GOSISDBHSA-N 429.586 4.299 10 20 IICD CC(C)NC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742799595 CHPDCNANNWYYBB-SFHVURJKSA-N 446.498 4.217 10 20 IICD CC(C)(C)OC(=O)NCc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)o1 743431606 YBAFDRIAPZVFGI-UHFFFAOYSA-N 426.469 4.446 10 20 IICD O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743735805 LNXGOOOFBOMWLG-JRHJTHGVSA-N 434.527 4.094 10 20 IICD CCOc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 746540688 RKDOGKKXAAUQPE-WYMLVPIESA-N 433.580 4.162 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 749508103 NGTXFKVLPMYIMK-UHFFFAOYSA-N 435.524 4.456 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nc1-c1ccccc1 755426881 CLFCUNIRMPGUIX-UHFFFAOYSA-N 440.905 4.119 10 20 IICD Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)c(C)n1-c1ccc(Br)cc1 758597389 PVLZZKRESPYRPF-UHFFFAOYSA-N 430.350 4.039 10 20 IICD COc1cc(CN(C)C(=O)NCCCSc2nccs2)c(SC)cc1OC 759590905 NABZSHOOGFJYEU-UHFFFAOYSA-N 427.617 4.206 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3ccccc3Br)CC2)cc1 759767952 YSZSLMORWWZHOC-MRXNPFEDSA-N 446.389 4.357 10 20 IICD COc1cc(Cl)cc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1O 761214202 ABQCYGOQCBWJHC-NRFANRHFSA-N 431.941 4.337 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(SC)c(OC)c3)CC2)cc1 764685615 WUNSGSSQODSQGO-LJQANCHMSA-N 429.630 4.289 10 20 IICD Cc1ccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)cc1 765240425 SNZGTNLGADBODF-NLFFAJNJSA-N 444.019 4.209 10 20 IICD CC(C)CCn1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 766140691 RHLLTQDGESGZBY-UHFFFAOYSA-N 439.482 4.106 10 20 IICD CN(Cc1ccccc1O)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769281398 ABFFQYBXJGQGLY-ATVHPVEESA-N 432.592 4.094 10 20 IICD CC(C)(C)c1cc(CNc2cccc(C(=O)NCCC(N)=O)c2)c(O)c(C(C)(C)C)c1 770558769 DMCCLSVVRCQGJZ-UHFFFAOYSA-N 425.573 4.205 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc(N2CCOCC2)c(F)c1 770598983 NLGYVZDWETZKEQ-UHFFFAOYSA-N 441.547 4.299 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2)cs1 771056824 HDOQVDKNJYMDOI-QGZVFWFLSA-N 430.961 4.200 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1F 771981804 VBAYEXQJQPBSMC-AEFFLSMTSA-N 436.572 4.259 10 20 IICD OC1(c2ccccc2C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 775120609 FGGCJOPYPZQBRX-UHFFFAOYSA-N 438.465 4.165 10 20 IICD COc1ncc(/C=C\C(=O)N(CC(F)F)c2c(C)cc(Br)cc2C)cn1 776364052 AMEYVIXRPYLEKM-PLNGDYQASA-N 426.261 4.176 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3ccncc23)cc1 782424873 AZAZCOYUFOLTNU-UHFFFAOYSA-N 428.492 4.061 10 20 IICD CO[C@@H](C)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782429134 JLTHGABJTQUUEO-SFHVURJKSA-N 435.524 4.221 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1OCC 784060619 GSBQDUXPDHZICP-UHFFFAOYSA-N 425.529 4.371 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)cc(F)c1Br 785888865 ZHBKTJFXXIYJHK-UHFFFAOYSA-N 445.691 4.147 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sc(-c4ccccc4C)nc3C)cc2)CC1 786261406 FHWCPCKILMRYRX-UHFFFAOYSA-N 448.592 4.025 10 20 IICD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 787062662 DFMQDNJAAVNMMA-HTAPYJJXSA-N 431.964 4.267 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 788092344 WWZUUPANRMCBHA-FPOVZHCZSA-N 446.494 4.194 10 20 IICD C[C@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O 788611105 GEXCIUUMRDXGMB-GHTZIAJQSA-N 436.527 4.053 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](CC)c2cc(Br)ccc2O)s1 797139554 HFLNVBSLVZZVBD-GYSYKLTISA-N 441.395 4.273 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 800696169 GWNMCBHAFLGFNC-UHFFFAOYSA-N 449.624 4.411 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Br)c1COC 802609900 NTMIOBCIFAEUHL-UHFFFAOYSA-N 449.345 4.069 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)cc1 807511038 DDTXTJALIZQRRR-UHFFFAOYSA-N 446.290 4.450 10 20 IICD O[C@H](COCc1cccs1)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 836235996 REIWJRCUHWALSD-RTBURBONSA-N 430.595 4.460 10 20 IICD CN(C)c1ccc(CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C2CC2)cc1 914439706 NVYKULWDSKWRJC-HXUWFJFHSA-N 429.973 4.400 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 914838893 ASYLAAAFZNMJOJ-UHFFFAOYSA-N 435.612 4.363 10 20 IICD O=C(NCc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915746129 LLJQKQROXSRIMZ-UHFFFAOYSA-N 441.491 4.484 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 918304259 UFIXUCMWUMZPMW-UHFFFAOYSA-N 435.499 4.068 10 20 IICD CCCS(=O)(=O)N1CCCC[C@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1328165299 BDLMMERSNLEFFX-FQEVSTJZSA-N 428.558 4.411 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@@]2(F)Cl)C3)cc1 1800514838 DLFCDKKGKAUJPY-KFGLOJPWSA-N 443.950 4.270 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccnn3C(C)C)C2)cc1 1844488856 KKSMZMNEYKXNJV-UHFFFAOYSA-N 445.567 4.002 10 20 IICD CCc1c(-c2ccncc2)n[nH]c1NC(=O)C1=S=C(c2nc3ccccc3s2)C=C1 620495802 QPUAPPRQAPYESC-UHFFFAOYSA-N 431.546 4.278 10 20 IICD C[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(S(N)(=O)=O)c1 727319077 NPWVTEJLGPFGKE-INIZCTEOSA-N 437.525 4.039 10 20 IICD CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F 727366937 VFDBRRQEUOGTDT-JOCHJYFZSA-N 429.511 4.181 10 20 IICD Cc1ccsc1-c1nnc(NC(=O)COC(=O)c2sccc2-n2c(C)ccc2C)o1 727515172 JVJMQFLMALHNCM-UHFFFAOYSA-N 442.522 4.371 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)ccc21 730840980 ZQSPQXMNMUTKJT-OAQYLSRUSA-N 434.458 4.387 10 20 IICD CCOc1ccc(CN(CC(=O)NCc2cccnc2)c2ccc(OC)c(Cl)c2)cc1 732196345 FIEIDCLEBAMQMC-UHFFFAOYSA-N 439.943 4.465 10 20 IICD CCc1oc2ccccc2c1CN(C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O 732551722 AIGYSDUHELZACO-UHFFFAOYSA-N 436.552 4.368 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)n2)c1 734739920 HRQZDKYTWDHSTL-UHFFFAOYSA-N 436.559 4.022 10 20 IICD CCOc1c(OC)cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 735328958 HGAFTTXTQJVBAW-GIJQJNRQSA-N 445.518 4.237 10 20 IICD O=C(COC(=O)c1cc2occc2s1)Nc1cccc2c1C(=O)c1ccccc1C2=O 736896182 HMGCKSAAEWEWTO-UHFFFAOYSA-N 431.425 4.065 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)c2)CC1 739775047 QRYAALGOQUKNCD-UHFFFAOYSA-N 448.567 4.159 10 20 IICD O=C(Nc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743078251 JCGYJWFBKDFDEB-QGZVFWFLSA-N 444.482 4.205 10 20 IICD Cc1ccc(C(=O)NCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F 745436832 WZGKVDVYWDZADY-UHFFFAOYSA-N 427.520 4.114 10 20 IICD COc1cccc(-c2noc([C@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)c1 745919898 OBGPRHXFJZNAEA-INIZCTEOSA-N 435.528 4.246 10 20 IICD CCn1ncc2ccc(NC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc21 746771577 JUCYWAHNBOHGFG-HZPDHXFCSA-N 425.508 4.131 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3cccc(COC(C)(C)C)c3C)CC2)cc1 747480467 TWSNMKYDUSQEPN-UHFFFAOYSA-N 425.573 4.079 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C[C@@H]4CCS(=O)(=O)C4)n3)c2C)cc1 747575766 IWAAJNKACCDGOL-KRWDZBQOSA-N 443.594 4.289 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnc(-c3ncccn3)s2)c(C)n1-c1cccc(F)c1 750198583 OUBHHHXRQQVANX-UHFFFAOYSA-N 436.468 4.186 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)s1 751137059 PQVHKTZMIPZRMH-HNNXBMFYSA-N 436.599 4.174 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1 752850558 JQPMDARKQWLQMV-JTHBVZDNSA-N 449.599 4.394 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)cc1F 753739437 RJDVPVZWIMBDKF-UHFFFAOYSA-N 426.410 4.014 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1Br 754088591 RTCTTYOZIUTOMT-JQWIXIFHSA-N 437.250 4.257 10 20 IICD CCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756514346 FUZDLLSUVUCILI-IERDGZPVSA-N 426.517 4.359 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)ccc1[N+](=O)[O-] 759146706 KIJBGVDQOLHSCQ-UHFFFAOYSA-N 441.437 4.114 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)c1 761967469 MYCCMNOJZVZZDR-LLVKDONJSA-N 428.710 4.463 10 20 IICD C[S@](=O)Cc1ccccc1NCc1cc(Br)cc(Br)c1O 762791323 PJFRJJBGXJOLPO-NRFANRHFSA-N 433.165 4.408 10 20 IICD CC[C@H](C)n1ncc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1C1CC1 762985131 ZVWBXVZPDGOHTO-KRWDZBQOSA-N 442.583 4.334 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 763347547 YMUXPKSIAPZFLD-MRXNPFEDSA-N 440.525 4.025 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)cc1 764529169 ZCNIUCRRVHGOKC-UHFFFAOYSA-N 443.579 4.222 10 20 IICD CCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCCc4cc(OC)ccc43)nc12 766340194 CENUFXHRZJSMPC-UHFFFAOYSA-N 435.553 4.009 10 20 IICD Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1NC(=O)CCN(C)C 767192154 ZUVCDIPNRYPSFZ-UHFFFAOYSA-N 439.560 4.396 10 20 IICD O=C(Nc1ccccc1F)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 768449602 WQPAIIICYJXRCV-QHCPKHFHSA-N 449.482 4.159 10 20 IICD CCCCOc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1 769894773 PQDQRQJLRIMSLT-SFHVURJKSA-N 443.975 4.151 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CCC1)CC(F)(F)F 769953523 KZFQQNBQATWVSQ-UHFFFAOYSA-N 448.488 4.059 10 20 IICD O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771051876 CFHMLSWLKXADSV-QGZVFWFLSA-N 436.886 4.068 10 20 IICD Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)n(-c2ccccc2)n1 773000375 PAVYHNGFSZNCIC-IBGZPJMESA-N 449.624 4.164 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1)c1ccc(N(C)C)cc1 773853876 AATHSHLWWFOIEW-KRWDZBQOSA-N 435.499 4.287 10 20 IICD CC(C)Sc1ccc([C@H](C)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 775353035 QENQUWBYURNETP-SFHVURJKSA-N 445.604 4.130 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 779513528 INLAQCKMDDQMAK-LCYFTJDESA-N 425.488 4.339 10 20 IICD COC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C 783483296 ROLQWQXZXIERRT-QGZVFWFLSA-N 431.492 4.097 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784107680 UMMNQGZMGWYPQX-UHFFFAOYSA-N 446.555 4.270 10 20 IICD COC(=O)CCc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 786423774 JVSIXTQDSFJDIL-GOSISDBHSA-N 445.519 4.107 10 20 IICD Cc1cc(CC(=O)NCc2ccc(S(C)(=O)=O)s2)c(C)n1-c1ccc(Cl)cc1 787516876 DUKPQIILTVYPCR-UHFFFAOYSA-N 436.986 4.071 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ncc(C(C)(C)C)s2)cc1)C1CCCCC1 789408480 LFSJZKKQSZHYFC-UHFFFAOYSA-N 428.602 4.464 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)CCOc1ccccc1 791246589 OLLDRSVYTBBHGC-IBGZPJMESA-N 426.557 4.480 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 792363785 KBERDPSWEMPQDR-UHFFFAOYSA-N 446.551 4.308 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@H](NC(N)=O)c3cccs3)cc2Cl)C1 800344073 MMMYZVHNNNFNSK-PBHICJAKSA-N 434.993 4.054 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 806511043 CSMFJQYUPRPXTQ-UHFFFAOYSA-N 436.531 4.233 10 20 IICD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)sc2C1 806846480 PVLZDGUGZPXMPA-QGZVFWFLSA-N 442.629 4.347 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 807460078 CCKNWZMJSSAUPO-HSZRJFAPSA-N 434.511 4.370 10 20 IICD Fc1cc(CNc2cncc(-c3cccs3)n2)ccc1N1CCN(c2ncccn2)CC1 814828967 WKJSTLQYRYCELR-UHFFFAOYSA-N 447.543 4.073 10 20 IICD O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 917847257 DGKZDBLLTBPCDE-UHFFFAOYSA-N 433.942 4.157 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918296651 WZOJDCDHDYJSMB-SFHVURJKSA-N 444.959 4.317 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 919860151 OIMMEJGTOGKUNW-NHCUHLMSSA-N 433.577 4.499 10 20 IICD C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1)c1ccccc1 919971211 LGVMDLYVDRTDDT-GOSISDBHSA-N 449.526 4.252 10 20 IICD O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501354 FUMKXYIEWCLOIW-KBAYOESNSA-N 446.975 4.175 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2ccn(-c3ccccc3)n2)c(C)n1-c1ccccc1 726844423 PNNLJCFTPLFPNY-UHFFFAOYSA-N 433.533 4.078 10 20 IICD Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(CC(C)(C)CN(C)C)C3=O)c2C)no1 727176928 SZLBJJMEAFJRGP-LICLKQGHSA-N 432.615 4.180 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3n[nH]c(C)c3C(=O)OCC)n2)cc1 727244394 LIIKQECRXSDRMF-UHFFFAOYSA-N 448.570 4.162 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)cc2)C1 730481875 MUVMCQPNNVMHHD-UIAACRFSSA-N 446.378 4.115 10 20 IICD C[C@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 733847780 HWQVTVJEOYAOQG-CPJSRVTESA-N 437.584 4.368 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)CC1 740915768 SQLBRRVIJCGUPT-SIKLNZKXSA-N 444.620 4.368 10 20 IICD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 741539875 HMXJWOIZIHGZCF-UHFFFAOYSA-N 447.938 4.230 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1C[C@@H]1Cc1ccccc1 741625949 BIDMSOGQPSZADQ-CVMAMDDASA-N 442.631 4.477 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cn1 743046744 PNVVTABDBDOUFD-UHFFFAOYSA-N 446.941 4.459 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 743184789 FMHFTMVXESNTDR-UHFFFAOYSA-N 431.558 4.135 10 20 IICD CC(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743975401 QJAGSFCZNVDPRV-GOSISDBHSA-N 431.483 4.135 10 20 IICD CCOCCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 745277061 JTZDDSDEEROEPA-UHFFFAOYSA-N 447.963 4.256 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 745798575 HPZINCUTWWVHSB-INIZCTEOSA-N 437.338 4.344 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cc1 747744948 LTJKXXLVEAWSFE-UHFFFAOYSA-N 427.426 4.092 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)CC2)cc1 749123930 GXHIIGRGNODBTF-UHFFFAOYSA-N 444.457 4.252 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)c(Br)c1 753600761 QLZJCMPJQVDQCK-UHFFFAOYSA-N 437.765 4.241 10 20 IICD CN1CCN(c2ccc(CN[C@@H](CCC(=O)O)c3ccc(Cl)c(Cl)c3)cc2)CC1 756369550 YSELJVGNKMCWLO-NRFANRHFSA-N 436.383 4.441 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnn(-c2ccccc2Br)c1 756485804 IRZQZBNCPRCOJV-UHFFFAOYSA-N 438.329 4.333 10 20 IICD C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc(Cl)ccc1O 756606846 CLSHNCPKAKLILK-AWEZNQCLSA-N 429.007 4.175 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N([C@H]3CCOc4ccccc43)C1=O)OCO2 758818219 BDKCEIRLRXJYHJ-GPMKDSKKSA-N 427.503 4.149 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4cccc(C)c4)CCCC3)CC2)cc(OC)c1OC 759243516 ZQQPZBWEQLEOTK-UHFFFAOYSA-N 438.568 4.181 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCCC2 760697596 DFWURRPCWJOCFW-KRWDZBQOSA-N 425.548 4.226 10 20 IICD CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 762567636 AIDCOTLVVBLOAC-LSDHHAIUSA-N 440.612 4.001 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(Cl)c(F)c3)cc2F)CC1 763011677 BNLSXUFBNBRRNT-UHFFFAOYSA-N 436.934 4.102 10 20 IICD CCSc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 763428043 VFKFVHSZRVSYFE-MRXNPFEDSA-N 431.989 4.084 10 20 IICD CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 764353748 KBEAPNGPFUNZOA-HXUWFJFHSA-N 446.592 4.025 10 20 IICD C[C@H](NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 764760163 CCFRDHOCRAZTDW-UUOWRZLLSA-N 447.982 4.040 10 20 IICD CCOC(=O)c1cc(NC(=O)NCc2cccc(Br)c2O)ccc1Cl 765257714 BOBFKALKRSZKRD-UHFFFAOYSA-N 427.682 4.307 10 20 IICD COc1ccc(N(CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)Cc2ccco2)cc1F 767900196 PWADYXUYKOLJHJ-UHFFFAOYSA-N 449.486 4.475 10 20 IICD C[C@H](NC(=O)Nc1cnc(Cl)c(Br)c1)c1ccc(N2CCOCC2)cc1 767904754 GPKMJZZZDOOZLJ-LBPRGKRZSA-N 439.741 4.217 10 20 IICD CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 768911716 HFXRQMFMLOPVDS-OAHLLOKOSA-N 435.933 4.070 10 20 IICD CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 769879111 ZZBOUPWVFDWHQZ-QHCPKHFHSA-N 428.598 4.048 10 20 IICD Cc1cc(C)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Br)c1 770270546 NNWNFCFOUIXGFN-UHFFFAOYSA-N 436.325 4.363 10 20 IICD Oc1ccc(-c2ccccc2)cc1CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1 770549061 DOYYNFBJKBZJDE-UHFFFAOYSA-N 428.536 4.422 10 20 IICD Cc1ccc(F)c(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1 771198102 TVGDBBVXWOOCPA-UHFFFAOYSA-N 431.470 4.419 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1F 775191108 KMKZIALXXVDDIX-JOCHJYFZSA-N 439.918 4.067 10 20 IICD O=C1CCCN1c1ccc(NCc2cc(Br)cc(Br)c2O)nc1 776254021 ZLLLSACWJAVAIU-UHFFFAOYSA-N 441.123 4.051 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccccc2CN2CCC[C@H]2CO)c1O 779050971 SILMYBVXFVXZLQ-UZLBHIALSA-N 433.390 4.271 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C2CCCC2)nn1C)c1ccc(N)cc1 783487130 UTPCUVALZZGLFE-QGZVFWFLSA-N 431.540 4.393 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 784108008 DSEXOHHSSNEDCJ-UHFFFAOYSA-N 444.535 4.405 10 20 IICD COc1cccc(CC2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 784246866 OCVNJDAMQVXINI-FQEVSTJZSA-N 437.584 4.257 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1C(=O)N(C)C(C)C 786049560 MCIBKUXWSMMEHN-OAQYLSRUSA-N 439.556 4.394 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)cc1 792278568 CGRGKFKYJQWDJH-UHFFFAOYSA-N 440.931 4.225 10 20 IICD C[C@H](NCCCCn1cc(Br)cn1)c1ccc(N2CCOCC2)cc1Cl 794829600 ULTFVIFUMQUNNS-HNNXBMFYSA-N 441.801 4.267 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)cc1C 797677260 QEUZAHNBJJZJHS-UHFFFAOYSA-N 437.462 4.489 10 20 IICD Cc1cccc(Oc2ccccc2C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 799319360 GOSXVPXCQWRROV-UHFFFAOYSA-N 436.533 4.274 10 20 IICD C[C@H]1CCCN(c2ccc(CNCc3ccccc3OCC(=O)N(C)C)cc2Cl)C1 800277302 VCAIJFBNTXRIIN-SFHVURJKSA-N 429.992 4.333 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1 800569849 VJQLSDZTUSZVTR-UHFFFAOYSA-N 427.398 4.130 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1F 800571546 NBNCERXGCZSJRH-UHFFFAOYSA-N 445.388 4.269 10 20 IICD Cc1csc(-c2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)n1 807512583 ZEHUQCCNOCVBBL-UHFFFAOYSA-N 436.320 4.386 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)o3)c2C)cc1 808647757 LNYCNKDETBZJRZ-UHFFFAOYSA-N 448.504 4.301 10 20 IICD CSC[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 817060772 MTBDXHHEBMUHQF-VQCBNXJZSA-N 440.681 4.331 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CSCCS2)c(C)n1-c1ccc(OC(F)F)cc1 899051760 ZSUJBPYPJWTZMK-SFHVURJKSA-N 441.521 4.270 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@@H]1CC1(Cl)Cl 913359908 GIUHBHNEELYWIT-BZPKPHBRSA-N 436.407 4.467 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CN1CCSC1=O 916438424 NRWKQJXZNDCYHM-QGZVFWFLSA-N 437.487 4.467 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccccc3N3CCCC3)cc2F)C[C@@H](C)O1 916670638 ZUSLEXNXDFLIPU-QZTJIDSGSA-N 426.536 4.361 10 20 IICD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccc(N2CCSCC2)cc1 917386543 AVSPPMVRLFXBAC-UHFFFAOYSA-N 443.519 4.422 10 20 IICD Fc1cc(CNC(=S)NCCSc2ccc(Cl)cc2)ccc1N1CCOCC1 917580811 TWOLPJGSDGYBIH-UHFFFAOYSA-N 440.009 4.072 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C(F)(F)F 918033669 YKOZOCPPOKUBFJ-INIZCTEOSA-N 434.462 4.037 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ncc(-c4ccccc4)o3)cc2F)C[C@@H](C)O1 918213648 OSZFNYWHQJALBY-CALCHBBNSA-N 438.503 4.094 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(OC)c1OC 918416041 ITVTUQBHCLEUQM-UHFFFAOYSA-N 448.479 4.383 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918444320 OZPQHZKRMCNVHO-AWEZNQCLSA-N 439.364 4.275 10 20 IICD CC(C)(C)CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550529 MSBMGFNEZVWWJP-UHFFFAOYSA-N 445.604 4.334 10 20 IICD O=C(CCCOc1ccccc1)Nc1ccc(CNCc2cc3c(cc2O)OCO3)cc1 725846060 RSTRCRCWJQJKQR-UHFFFAOYSA-N 434.492 4.208 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCCO4)cc2F)C[C@@H](C)O1 727276820 NIVMJIOGEZWVQR-HZPDHXFCSA-N 445.560 4.087 10 20 IICD Fc1ccc(CN2CCC[C@H](NCc3ccc(N4CCOCC4)c(F)c3)C2)c(Cl)c1 732229823 JDAIISSRDWUEGC-FQEVSTJZSA-N 435.946 4.209 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccnc(O[C@@H](C)CC(C)C)c3)CC2)cc1 732249946 ZNDUOECENXBDTL-IBGZPJMESA-N 440.588 4.372 10 20 IICD CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 733934212 GRBDWEFLTDCCMI-GFCCVEGCSA-N 448.397 4.419 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1C(F)(F)F 741545078 YQGKVDVAUJPACR-WMZOPIPTSA-N 447.501 4.217 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 742745899 QLBNXIRIQWQLDB-OAQYLSRUSA-N 430.593 4.074 10 20 IICD CCCc1nc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742752174 ZJUSNDQZTLJBLQ-GOSISDBHSA-N 446.617 4.466 10 20 IICD O=C(Cc1ccccc1Br)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798692 BXBCOADLKCHMJP-OAHLLOKOSA-N 439.300 4.378 10 20 IICD COc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1NC(C)=O 743101891 XGUMIBVHQJAWDZ-MRXNPFEDSA-N 448.470 4.046 10 20 IICD O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743181533 OYGRNHQZMUIMNH-UWJYYQICSA-N 447.482 4.246 10 20 IICD CCO[C@H](C)c1noc(CN2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)n1 743376487 HVTLDGMAQGFSSN-MRXNPFEDSA-N 436.512 4.090 10 20 IICD CN(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2ccccc2s1 743735802 LMTLGAPYLDPAAJ-OAHLLOKOSA-N 446.523 4.119 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c(C)nc(SC)nc1C 743808261 QUWDNFGVKLZRMI-UHFFFAOYSA-N 438.391 4.265 10 20 IICD Cc1cc(C(=O)COc2cccc(CC(N)=O)c2)c(C)n1-c1cccc(C(F)(F)F)c1 747087446 XXKZDXUPUSOAAU-UHFFFAOYSA-N 430.426 4.402 10 20 IICD Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751930629 ILCAGUMBZOVZKF-ZDUSSCGKSA-N 429.929 4.462 10 20 IICD Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1-n1nnnc1C(C)C 752988770 MILQGZYBWMOJEH-UHFFFAOYSA-N 433.560 4.357 10 20 IICD COC(=O)COc1ccc(N(C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 753591653 NHEVIRYFLFEVQL-UHFFFAOYSA-N 428.492 4.123 10 20 IICD Cc1cnc(C(C)(C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 754702357 RDMOCEHBRGZQDC-AWEZNQCLSA-N 433.533 4.079 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3nccc4ccccc34)cc2F)C[C@@H](C)O1 764925319 NAVQULXZOFECGA-CALCHBBNSA-N 439.556 4.396 10 20 IICD CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 765266517 NHBCKQZAYGKYNS-GOSISDBHSA-N 433.593 4.354 10 20 IICD C[C@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1Cl 765503130 OCJMFWIHDNGBEQ-XOBRGWDASA-N 444.881 4.459 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(OC(C)(C)C)n3)cc2F)C[C@@H](C)O1 767199138 RAFUUDVOGDWUBQ-CALCHBBNSA-N 444.551 4.011 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cc1Cl 768031636 UIVWFYRZUCBCGG-UHFFFAOYSA-N 438.355 4.493 10 20 IICD CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[C@@H]1NC(=O)OC(C)(C)C 769482331 CKXONPINROXOTE-CJNGLKHVSA-N 443.382 4.289 10 20 IICD CCC(=O)c1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 771519078 BANJAYJSRADEOJ-UHFFFAOYSA-N 435.446 4.456 10 20 IICD CC[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1O 775491164 BHQZTFICUQBXMQ-OAHLLOKOSA-N 428.360 4.385 10 20 IICD Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cnc2c1Cl 776083686 YGOJMTQDGHLMTF-UHFFFAOYSA-N 440.337 4.269 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 777822273 FUIIKYFNZIXDLD-JPYJTQIMSA-N 442.515 4.001 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 780682870 YJXHPGVRNVOQTP-HXUWFJFHSA-N 432.609 4.462 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 780903311 VRWUMWUMCNSHMR-NTKDMRAZSA-N 426.513 4.161 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(CC(=O)N(C)C)CC3)c2C)c1 781346018 FWMWFKCYTJQFPT-UHFFFAOYSA-N 427.614 4.189 10 20 IICD CN1C(=O)COc2ccc(NC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc21 784773107 WKARZMQUJJLXJL-UHFFFAOYSA-N 429.436 4.034 10 20 IICD Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1 793869526 XAMMEBJBUVOPQC-GOEBONIOSA-N 434.005 4.440 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Br)ccc1N1CCCC1 797635597 YHBKZJLAAULIIE-ZDUSSCGKSA-N 434.334 4.213 10 20 IICD COCCn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802423540 MOEBFAJXPFHBMH-UHFFFAOYSA-N 449.599 4.151 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802755011 KKWRWROHIOOWDU-NRFANRHFSA-N 442.567 4.421 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cc(C)c(F)cc3Cl)CC2)cc(OC)c1OC 806583303 PSXLHFNCXJGXCR-UHFFFAOYSA-N 437.899 4.167 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 807192827 RFDMFHHQJPWVLQ-XUZZJYLKSA-N 438.568 4.113 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)SC2=S)cc1 814274470 OAABDLQUEZIKCD-LICLKQGHSA-N 443.502 4.006 10 20 IICD CCCN(CCC)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914046479 MGMHTGGUCHTORR-RVDMUPIBSA-N 441.416 4.299 10 20 IICD O=C(c1cccc(I)c1)N(Cc1ccco1)Cc1ccccc1O 917361266 BARDBEZAKCANFL-UHFFFAOYSA-N 433.245 4.432 10 20 IICD CN(CCCOc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918081523 PACDFODMSJAFCO-UHFFFAOYSA-N 449.954 4.051 10 20 IICD CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 918199342 VMZAUFZAJJCVOR-NVNXTCNLSA-N 427.931 4.288 10 20 IICD Cc1cc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 918586302 VMRHJEKOFGOCOM-HSZRJFAPSA-N 436.899 4.054 10 20 IICD Cc1cc(CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 919694752 HMCGASAGKQXCML-UHFFFAOYSA-N 443.507 4.375 10 20 IICD CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 920314335 UJPKQZOXICXSMC-UHFFFAOYSA-N 429.567 4.401 10 20 IICD C[C@H]1CN(Cc2cccc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)CCO1 920409825 JPEAUPBHHWWHKS-FQEVSTJZSA-N 438.572 4.096 10 20 IICD C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 920880981 KKJKVYOKYRWGCC-MRXNPFEDSA-N 449.414 4.396 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3csc(COC)n3)c2C)cc1 920903172 MYIYXIVVEPDUSR-UHFFFAOYSA-N 428.510 4.135 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1ccccc1Br 1255918987 HRAZHKUHIULXHY-GOSISDBHSA-N 449.389 4.012 10 20 IICD CCOc1ccc(N2CCN(C(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1319639125 RGPRQFQOWWGSRP-UHFFFAOYSA-N 445.604 4.161 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)CC2)cc1 1319870035 IZLHKSSTLLRHLZ-UHFFFAOYSA-N 443.547 4.324 10 20 IICD C[C@@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1O 1325357556 UJJLJRMCIRTFEK-LLVKDONJSA-N 431.252 4.254 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C4CC4)CC3)CC2)cc1 1838674328 MDNOGEINTFVTHK-UHFFFAOYSA-N 449.595 4.116 10 20 IICD CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 248088858 XIDSWZNDNVAOJD-IFMALSPDSA-N 449.595 4.048 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1-n1nnnc1C 303135429 LDGQPNFNRRTLAJ-UHFFFAOYSA-N 436.903 4.293 10 20 IICD Cc1c(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)n(C)c2ccccc12 471240713 BJNUFVQBYSJQSF-HHHXNRCGSA-N 447.398 4.453 10 20 IICD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n(-c2ccc(F)cc2)n1 536201196 KBHSCCSULKLHRJ-UHFFFAOYSA-N 434.496 4.097 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cn1 726197285 PEBHDZMRAOWXKR-RQZCQDPDSA-N 426.479 4.477 10 20 IICD CN(CCCNC(=S)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1 726461510 AHACVGZKZNKPQX-UHFFFAOYSA-N 437.569 4.414 10 20 IICD COc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 727102202 JTPRHTNJYOZYSD-VWLOTQADSA-N 443.547 4.083 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 727170586 UAGLHBDWIINNBI-OALUTQOASA-N 444.597 4.111 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)cc1 729052603 PBJGZOUYTWEDBM-UHFFFAOYSA-N 426.517 4.192 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1 729702981 AXFLSOBXFKUWJN-MRXNPFEDSA-N 433.327 4.302 10 20 IICD O=C(OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)c1cc(O)cs1 732354915 WETLWLIKRZLIMZ-INIZCTEOSA-N 436.445 4.328 10 20 IICD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 732911353 VCBVEVZXULUVEN-UHFFFAOYSA-N 441.494 4.013 10 20 IICD O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735515845 AJZZOGYYAXDMKE-KRWDZBQOSA-N 438.505 4.066 10 20 IICD C[C@@H](Oc1ccccc1F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749983 KTNHDANPFZJKIS-UZLBHIALSA-N 445.535 4.041 10 20 IICD Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753645822 YJEYOHFPEYDUFM-LBPRGKRZSA-N 432.929 4.456 10 20 IICD O=C(COC(=O)c1cccnc1N1CCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 755305130 VVORAKZMBYPSHX-UHFFFAOYSA-N 445.479 4.129 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(Cc3ccccc3)CCC1)c2[N+](=O)[O-] 760968489 CXIAVSOUNGVURJ-UHFFFAOYSA-N 440.455 4.265 10 20 IICD COc1ccc(C[C@H](C)CN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 761671226 ZKBWXROOIOVCDG-VQTJNVASSA-N 425.573 4.113 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 763285083 ZZPIPZXJWJAIRV-ZDUSSCGKSA-N 446.297 4.393 10 20 IICD CCc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 764353744 KBEAPNGPFUNZOA-FQEVSTJZSA-N 446.592 4.025 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 765117474 FWYWKXWYJPXSML-GOSISDBHSA-N 446.588 4.229 10 20 IICD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCc1cccc(Br)c1O 765276201 LFXMBFMLOIQWKO-UHFFFAOYSA-N 434.334 4.171 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCCCCC2)cc1 765980415 ZWLLRFPANBDPOR-NRFANRHFSA-N 441.641 4.153 10 20 IICD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 768091841 YKBNNLCNLJHJSQ-UHFFFAOYSA-N 446.551 4.143 10 20 IICD COc1cccc(O)c1CN1CCC(Oc2ccccc2I)CC1 769531576 DCOPFIYRSDFOSN-UHFFFAOYSA-N 439.293 4.049 10 20 IICD O=C(Nc1ccccc1OC(F)F)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769647868 STCJTCCZCSTOOY-UHFFFAOYSA-N 440.449 4.108 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 776011901 BDYGMFRDJOWPHQ-UHFFFAOYSA-N 438.915 4.057 10 20 IICD C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(N2CCCCC2)cc1 777401113 KOHAYTGKVUNHBK-FQEVSTJZSA-N 427.614 4.410 10 20 IICD CN(C)c1ccc(/C=C2/N=C(SCCCO)N(c3ccc(OC(F)F)cc3)C2=O)cc1 780668493 WWXJGVZQUTVKHU-XMHGGMMESA-N 447.507 4.213 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2noc3c2CCCCC3)NC(=O)OC(C)(C)C)cc1 780807672 BQMWUTOWJKQJAG-LJQANCHMSA-N 442.560 4.005 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783484134 ABEMPCFHBOABNM-GOSISDBHSA-N 433.508 4.027 10 20 IICD Cc1nc(-c2ccccc2NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)no1 783487052 TXEDMHHEEFKHNF-INIZCTEOSA-N 441.491 4.360 10 20 IICD CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)C1 788613254 OVYVWMVAEMBLRM-MRXNPFEDSA-N 437.531 4.246 10 20 IICD Cc1cc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C)c(C)n1-c1ccccc1 800766761 UARIVEAUTFJAMQ-UHFFFAOYSA-N 431.462 4.237 10 20 IICD COc1c(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)oc2ccccc12 803678018 WJYIUJSDANCGIR-UHFFFAOYSA-N 449.551 4.143 10 20 IICD CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 804131868 ARYNQAKVBZYMJN-QFIPXVFZSA-N 433.552 4.012 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 807290509 XHHVVMIGOGFRTA-HSZRJFAPSA-N 437.971 4.380 10 20 IICD CC[C@H](C)N[C@@H](CNC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccco1 807445696 YDTNURZYKPMYCB-YOEHRIQHSA-N 438.366 4.409 10 20 IICD CSCCCN1C(=O)/C(=C/c2ccccc2I)SC1=S 814266906 GVJZNJNNIAODDC-XFXZXTDPSA-N 435.377 4.246 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3cc(F)ccc3F)cc2F)C[C@@H](C)O1 917064095 IZLFMYBCQZYWJW-BRWVUGGUSA-N 449.517 4.027 10 20 IICD COc1ccc(N2CCCN(Cc3ccc(OC)c(OC)c3Br)CC2)cc1 917831880 UEBAIVCKRYGVEK-UHFFFAOYSA-N 435.362 4.187 10 20 IICD CCC(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157764 UEVGVXWICRBKPA-NRFANRHFSA-N 447.539 4.102 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 248140747 PWNGTCBDVRMLNY-SFTDATJTSA-N 429.358 4.300 10 20 IICD CCCC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1 303496584 QSZMVLLROFGRPP-NRFANRHFSA-N 437.584 4.333 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@@H](c4cccc(Cl)c4)C3)ccc21 513992032 MRLIJCUQAAKCKY-JOCHJYFZSA-N 425.960 4.345 10 20 IICD Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 561628255 KJYBLMCGPNMJAZ-UHFFFAOYSA-N 429.520 4.233 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2ccccn2)c(C)n1-c1cccc(Br)c1 725885859 XEKURJMYSJWWQV-UHFFFAOYSA-N 441.329 4.010 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 727106419 YMYXDGSNPVMYMG-UHFFFAOYSA-N 447.358 4.024 10 20 IICD Cc1cc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c(C)n1-c1ccc(F)cc1 729254100 STYMZJFIOIHNQZ-QFIPXVFZSA-N 431.471 4.066 10 20 IICD COc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 729596990 ODXRDCOXLNVNQQ-QZTJIDSGSA-N 443.563 4.268 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(-c2ccccc2)[nH]1 731974615 BDPDDEYFXDIZQC-UHFFFAOYSA-N 429.442 4.467 10 20 IICD COc1ccc(N(Cc2ccco2)Cc2nnnn2-c2ccc(OC(F)F)cc2)cc1F 739925857 CHEBVTPBEUULQC-UHFFFAOYSA-N 445.401 4.211 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)[nH]n2)NC(=O)OC(C)(C)C)cc1 742750553 DXCZPDKWEKYUBI-JOCHJYFZSA-N 449.555 4.139 10 20 IICD Cc1ccc(OC[C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 742759199 PGCLKUJLOYJOPR-IPMKNSEASA-N 429.536 4.014 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2cccc(F)c2)n1 742804836 BUIMYOMETXBBAA-MRXNPFEDSA-N 430.430 4.012 10 20 IICD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)C1 745189829 QHVSLWQITCTOJM-KXBFYZLASA-N 432.542 4.111 10 20 IICD C[C@H](NC(=O)CC1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 749847720 IGZMUBGHZCDIDE-IBGZPJMESA-N 425.573 4.350 10 20 IICD Cc1cnc([C@@H](C)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 750086757 NCQBFQYQBUJWCG-OJLMPMFISA-N 437.637 4.372 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)c3c(C)noc3C)c2C)cc1 750258039 AFFCMIFCLXFFKC-AWEZNQCLSA-N 438.480 4.015 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2F)NC(=O)OC(C)(C)C)cc1 750622403 ZSHAFDKVTNEONQ-QGZVFWFLSA-N 437.462 4.166 10 20 IICD Cc1cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752828239 AYDMYGMZHHMEHG-PZJWPPBQSA-N 449.599 4.393 10 20 IICD COC(=O)COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc12 758648032 ZWDCBAPIOCFRHT-UHFFFAOYSA-N 431.492 4.090 10 20 IICD Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCc1ccc(O)c(O)c1 762267445 NCQLKMOGNNXXEO-UHFFFAOYSA-N 430.913 4.346 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(Br)cc3)CC2)cc1 767885390 OABDALKINMBYJX-INIZCTEOSA-N 432.362 4.441 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1 768472069 UQDRKMANKNLRPR-LJQANCHMSA-N 430.980 4.170 10 20 IICD Cc1noc(CCC(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 769980732 UMXRKRJFJXGKKS-CQSZACIVSA-N 447.438 4.134 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)N[C@@H](C)c4ccccc4)no3)ccc21 770959680 LCNSJZZLMOHDHJ-KRWDZBQOSA-N 432.524 4.374 10 20 IICD COc1c([N+](=O)[O-])ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1O 772179520 UFNMBIWMXYETDU-LJQANCHMSA-N 426.816 4.129 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 773429333 MCCCMYGFNMIYCJ-YCRPNKLZSA-N 437.353 4.291 10 20 IICD C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(N(C)C)cc1 773989878 REIUNVMDNWFCLI-MRXNPFEDSA-N 441.528 4.184 10 20 IICD COc1c([N+](=O)[O-])ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)c1O 775079843 IRDVBIZPXJPYIB-INIZCTEOSA-N 425.254 4.452 10 20 IICD Oc1c(Br)cccc1CNCC1=Cc2cc(Br)ccc2OC1 775153235 SBMSOWUTVKNNHD-UHFFFAOYSA-N 425.120 4.483 10 20 IICD C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 775403284 JDUREGJVOHOJFP-GOSISDBHSA-N 437.565 4.069 10 20 IICD Cn1cc([C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccc(F)cc2)cn1 776196603 HFZHKDUNUAUBOK-QHCPKHFHSA-N 434.471 4.359 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 780324936 CKJWWZHHVVRTLD-UHFFFAOYSA-N 429.492 4.197 10 20 IICD CC(C)(C)OC(=O)NCCc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)cs1 793239773 GCTBLPNKLNPZDV-UHFFFAOYSA-N 444.601 4.131 10 20 IICD O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)C(=O)N(Cc1ccccc1O)C1CCCCC1 793622676 AJZWISKIQJNPLI-DNQXCXABSA-N 436.552 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3c(Cl)ccc4c3CCO4)cc2F)C[C@H](C)O1 797666257 KIFTTXYQHJQVFD-KBPBESRZSA-N 433.911 4.349 10 20 IICD Cc1noc(C)c1C(C)(C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 797733203 XIYQMLGSWYJMLT-IBGZPJMESA-N 444.576 4.017 10 20 IICD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811703548 VDVMYVNMQDFLAL-UHFFFAOYSA-N 444.347 4.198 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3Br)cc2F)C[C@@H](C)O1 814326868 DKYFXNICMLCPNB-CHWSQXEVSA-N 439.300 4.271 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3OCC(F)(F)F)CC2)cc1 915341316 RTLVFBXKGRYLKO-UHFFFAOYSA-N 427.398 4.130 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 915709347 QYOIZCJEOLOQLL-UHFFFAOYSA-N 444.535 4.439 10 20 IICD Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc(N5CCOCC5)c4)c3)cn2c1 918669975 BPYASASZFANRAP-UHFFFAOYSA-N 442.519 4.311 10 20 IICD COCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)sc2cccc(F)c12 919970955 LHNNQNHBMZOWFW-UHFFFAOYSA-N 446.519 4.217 10 20 IICD CN(Cc1cc2ccccc2[nH]1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1319015624 JWCQVIZYWJGULQ-UHFFFAOYSA-N 446.473 4.365 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C3CCSCC3)C2)cc1 1847110784 KKKJJQQJBHKRRR-UHFFFAOYSA-N 437.609 4.054 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2C)c1 58360537 JZMDOMLRRGHHCX-QHCPKHFHSA-N 437.521 4.059 10 20 IICD O=C(Nc1ccc(-n2cccn2)c(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726608944 GDODIKNRMNMJQU-UHFFFAOYSA-N 445.445 4.403 10 20 IICD CCn1ncc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc21 726698748 FDHFWPDXPJLFBH-UHFFFAOYSA-N 429.471 4.448 10 20 IICD COc1ccc(COCCCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 727606860 YETRQAHQNZNUQH-UHFFFAOYSA-N 425.573 4.434 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCc3c(cnn3-c3ccccc3)C2)c1O 728196550 UMAHVBMRVZHQJN-UHFFFAOYSA-N 425.488 4.073 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3ccccc3OC)c3nccn3C)ccc21 728463293 ZIBQMRNDGNEVRA-XMMPIXPASA-N 446.551 4.166 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCc2nc(O)c3ccccc3n2)cc1 728839321 CJIRMGTUXFNWMZ-UHFFFAOYSA-N 446.473 4.315 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 728839688 WPCSJPVEIXWCTJ-UHFFFAOYSA-N 432.446 4.326 10 20 IICD CC1CCN(c2ccc(CNc3ncccc3S(=O)(=O)N3CCCCC3)cc2)CC1 731208574 MBHUCSAXIHAOEE-UHFFFAOYSA-N 428.602 4.105 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(-c2ccccc2)ccc1Cl 731978397 RETGOUBEPOLVHB-UHFFFAOYSA-N 440.952 4.494 10 20 IICD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 733134557 VIULAHKDKOEJLQ-AWEZNQCLSA-N 434.367 4.369 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 734525971 RFEAHDMVZVPBCP-KRWDZBQOSA-N 445.405 4.149 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 734687867 WMDLEZPNPWLOQL-XMMPIXPASA-N 430.552 4.110 10 20 IICD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 735384620 KHIIYJWFWUWQEX-VXKWHMMOSA-N 441.547 4.199 10 20 IICD O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517860 FTXVQBLHEIEYNO-FQEVSTJZSA-N 435.499 4.027 10 20 IICD O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 738528981 NHRVOFYMIRDRBD-LJQANCHMSA-N 445.441 4.418 10 20 IICD O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798490 OVXZORJHPIMQIE-OAHLLOKOSA-N 438.421 4.314 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2cccc(F)c2)no1 742798768 QRUJNEAHDGVBPH-MRXNPFEDSA-N 431.414 4.481 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1ccccc1F 746132665 CHSRHQBIYRBJEG-RTBURBONSA-N 445.554 4.105 10 20 IICD Cc1ccc(C)c(-n2ncc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C)c1 747364669 GSSUSMVQRDSYET-UHFFFAOYSA-N 437.519 4.095 10 20 IICD CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 749350070 CBKUDJXOWJROAF-UGKGYDQZSA-N 427.976 4.098 10 20 IICD O=C(Nc1ccc2scnc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751059922 ASRMNYQHVRFAED-UHFFFAOYSA-N 431.520 4.117 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C)n1-c1ccc(Br)cc1 752251329 DWDINAVLIREJDH-KRWDZBQOSA-N 442.361 4.001 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)C2CC2)cc1 753555792 VMTUMDQBDWPYHO-UHFFFAOYSA-N 433.474 4.377 10 20 IICD C[C@H](NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)cc(F)c1O 756592975 KOESPAKGXFQYSD-BJOHPYRUSA-N 446.700 4.103 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1ccc(C)c(C)c1O)CC2 756709096 WHHNPQAEIVRCCA-SFHVURJKSA-N 426.557 4.042 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)CC2)cc1 758088327 MXHIULIRCGHSOI-UHFFFAOYSA-N 427.505 4.097 10 20 IICD CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 760394540 CVOVIUDZOMCVCC-UHFFFAOYSA-N 430.504 4.448 10 20 IICD COc1ccc(N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CC(C)C)cc1 767891791 WBOVSSHTHLJOGM-UHFFFAOYSA-N 427.501 4.434 10 20 IICD C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 768200212 OYTRFCXQNRMAJM-LJQANCHMSA-N 431.621 4.021 10 20 IICD CCc1nc(CN2CCC(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cs1 773293947 BDLHJNYMNRDIGE-QGZVFWFLSA-N 429.634 4.044 10 20 IICD C[C@H](NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)c1ccc(N(C)C)cc1 773614933 UVKNVLZMCZBZLV-BVPXEZJJSA-N 430.593 4.148 10 20 IICD Oc1ccc(Br)cc1CNCc1cnn(-c2ccc(Br)cc2)c1 775028120 BKXRKZTZSDHPFZ-UHFFFAOYSA-N 437.135 4.393 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 782711633 NNIOUMRNFOCGGM-RTBURBONSA-N 425.577 4.204 10 20 IICD CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 783316228 KHDBVMXVKJJZLQ-UHFFFAOYSA-N 438.572 4.113 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 784024774 SEDCYEUEHNEBJA-UHFFFAOYSA-N 434.540 4.387 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1)C1CCCCC1 784255268 USPLGTBYRKAURF-OAQYLSRUSA-N 429.605 4.183 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2)c1ccc(N(C)C)cc1 789744174 OFEGYKLVOVAIID-GDBMZVCRSA-N 428.602 4.176 10 20 IICD COC(=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 791044151 CLDKTHCIODUASQ-UHFFFAOYSA-N 442.313 4.219 10 20 IICD CO[C@H](C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)c1cnn(C)c1 798398352 URCORBQYQACKRV-FPOVZHCZSA-N 446.473 4.419 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1C 799186620 DFJORELOXVWNIF-UHFFFAOYSA-N 427.551 4.421 10 20 IICD COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)O1 801600326 OITLIPXAOWPKBW-DHWLSRIRSA-N 436.512 4.224 10 20 IICD COCC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)CC1 802756118 BXQOKUKCIRYPGP-QFIPXVFZSA-N 449.599 4.252 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 806309382 DTQRSGKDSOYPRE-UHFFFAOYSA-N 437.262 4.013 10 20 IICD O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cc(Cl)cc(Cl)c1O 807838123 IZTLHYWLHPGOLD-UHFFFAOYSA-N 436.320 4.267 10 20 IICD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1Cl 808115664 NJKXGXWJRZIXBX-UHFFFAOYSA-N 444.695 4.318 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2c1COC2=O 809381811 MODKKDOFXMSGFY-MHWRWJLKSA-N 444.559 4.039 10 20 IICD Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 914906098 KMJVSJWNZMLTOO-UHFFFAOYSA-N 432.524 4.193 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 916680579 NNVWVJDWRZCYEB-HZPDHXFCSA-N 428.508 4.028 10 20 IICD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3ccc(N4CCCCC4)cc3)cc2)C1 916837580 OWIWLJKXAKFUIN-OAQYLSRUSA-N 441.641 4.387 10 20 IICD O=C1/C(=C/c2cc(Br)c3c(c2)OCCO3)SC(=S)N1c1cccnc1 917516323 SKHBIMIQNQAZIS-ZSOIEALJSA-N 435.324 4.021 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CS(=O)(=O)C(C)C 917691698 TUTDJRJQEFLTNS-GOSISDBHSA-N 442.503 4.121 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 918275417 RYEQGSMFALOQFQ-UHFFFAOYSA-N 441.491 4.025 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Br 918294184 LZRWVEFENYNFRH-UHFFFAOYSA-N 443.297 4.224 10 20 IICD Cc1ncc(-c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)o1 918308784 ACVPNNJCHIVBOZ-UHFFFAOYSA-N 432.524 4.237 10 20 IICD C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920881429 VLIOCKKPLXKBBT-LJQANCHMSA-N 442.519 4.460 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 10907544 GQQOEFGMMUQOCD-UHFFFAOYSA-N 425.529 4.366 10 20 IICD Cc1cc(C(=O)CSc2nnc(-c3ccncc3)o2)c(C)n1-c1ccc2c(c1)OCCO2 21956795 ZTISDNAHGFEHBT-UHFFFAOYSA-N 448.504 4.285 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCCCn3cc(Br)cn3)ccc21 471275179 CBCDFXAFSZTJDQ-UHFFFAOYSA-N 447.377 4.074 10 20 IICD Cc1ccccc1-n1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C 726567824 QKWAABRNQDLOBW-UHFFFAOYSA-N 440.494 4.489 10 20 IICD Oc1ccccc1CN(C(=S)NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 726745525 QYFANLGDMPSYKY-UHFFFAOYSA-N 438.524 4.426 10 20 IICD C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1 729343857 FNASKVGXNABWEN-MRXNPFEDSA-N 425.916 4.252 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2F)CC1 730135330 VDGARADZYNRSSX-JOCHJYFZSA-N 442.554 4.023 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)cc2)CC1 731049720 MCBRKGAUGTZKFM-HXUWFJFHSA-N 432.572 4.406 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 735245134 OQUKYABBYWJMIF-UHFFFAOYSA-N 425.579 4.475 10 20 IICD CC(C)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1 735637089 AUMODMMOWGGKDI-UHFFFAOYSA-N 446.434 4.217 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 740911069 XOZJDAGPWUEDCE-UHFFFAOYSA-N 441.457 4.267 10 20 IICD O=C(Cc1ccccc1OC(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800992 ONRPNLMMMULWBT-HNNXBMFYSA-N 426.410 4.217 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(Cc4ccc(F)cc4)no3)ccc21 744950001 ACARKQRGHIEFQG-UHFFFAOYSA-N 437.471 4.374 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 751403780 FNXQOAOVCALDPH-RUZDIDTESA-N 449.595 4.087 10 20 IICD Cc1sc(NS(=O)(=O)c2cnc3ccsc3c2)nc1-c1cccc([N+](=O)[O-])c1 752191379 NZMPWIGOOABIPT-UHFFFAOYSA-N 432.508 4.437 10 20 IICD C[C@H]1C[C@@H](NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c2c(O)ccc(F)c21 756598695 WIRHVIUFSGZITE-IFXJQAMLSA-N 442.512 4.460 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCC2CC2)c(F)c1 759312627 JVGRTBKOHPHJTM-KRWDZBQOSA-N 427.520 4.012 10 20 IICD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2sccc2c1 760383909 INZTVNQUGQDPFD-UHFFFAOYSA-N 447.539 4.087 10 20 IICD COc1ccccc1[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1nccn1C 764813108 CKIJNOVKBWUFOM-UZUQRXQVSA-N 440.975 4.359 10 20 IICD C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCCC2)c(F)c1 764945258 DBQZVLSFDIOAIK-FQEVSTJZSA-N 438.591 4.054 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)cc1OC 764988008 NCALOXUGSDMXDD-HXUWFJFHSA-N 439.600 4.441 10 20 IICD COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766237125 IQRKSAOAJPXPDM-DLBZAZTESA-N 433.499 4.272 10 20 IICD COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 767930722 HMJYXHFSHZFYMJ-SFHVURJKSA-N 441.597 4.123 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1sccc1Br 768912609 PTKBXDHLLRLDAX-ZDUSSCGKSA-N 429.767 4.264 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3ccco3)c3ccccc3OC)CC2)cc1 769202634 NGUVWWPYAWVOCX-DEOSSOPVSA-N 435.524 4.308 10 20 IICD CCc1ccc(C2=CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)cc1 772438432 ANBRANCGVBSHJR-UHFFFAOYSA-N 437.559 4.348 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2noc(C3CCCCC3)n2)c(C)n1-c1ccccc1 772836656 CFUHNFPFVAKPMA-UHFFFAOYSA-N 441.553 4.323 10 20 IICD CN(C)c1ccc(CNC(=O)CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 775872557 UIXGRDULHLOUKJ-OAQYLSRUSA-N 434.353 4.011 10 20 IICD C[C@H](Nc1cccc(N2CCC(C(N)=O)CC2)c1)c1ccc(N2CCOCC2)cc1Cl 777698068 ZMWLSNBUGLEUPR-KRWDZBQOSA-N 442.991 4.051 10 20 IICD CC1(C)C[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C(C)(C)O1 778132801 MUHPCGIMWCDWDV-GOFCXVBSSA-N 438.640 4.192 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc2ncc(Br)cc2c1 782522951 MWRYQSIRQNAGCH-UHFFFAOYSA-N 445.280 4.354 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(n4c(C)nc5ccccc54)CC3)CC2)cc1 792962173 FFGJPANOJTWTKM-UHFFFAOYSA-N 447.583 4.369 10 20 IICD OCC1CCN(c2ccc(CNCc3c(F)ccc(Br)c3F)cc2)CC1 800227647 XKDJPMDMAACSHF-UHFFFAOYSA-N 425.317 4.226 10 20 IICD CCCC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 800718891 FBQIOZUXVAFBFM-AZUAARDMSA-N 449.039 4.414 10 20 IICD COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Cl 808105027 VNAFBUSESHDHLR-UHFFFAOYSA-N 426.705 4.178 10 20 IICD CCOc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1S(=O)(=O)N(CC)CC 809682036 AUDWJSNIEKQUPM-UHFFFAOYSA-N 442.965 4.096 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4cc(C)nc5ccccc45)n3C)CC2)cc1 809815214 SBZXSPPAALAVSB-UHFFFAOYSA-N 428.540 4.064 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)cc(OC)c3)SC2=S)cc1 814274582 SRCFMPJKTUEWRM-WQRHYEAKSA-N 429.519 4.286 10 20 IICD O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)s2)SC1=S 844240247 ZHMONBFXVSUEBC-QPEQYQDCSA-N 440.365 4.463 10 20 IICD CC(=O)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)C1 913193367 JVVJVDSDYBWCFN-SFHVURJKSA-N 428.554 4.486 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccc(F)c(Cl)c3)cc2F)C[C@@H](C)O1 917715352 POFRSCMFWJIBNW-GASCZTMLSA-N 438.902 4.317 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1Br 917840573 SJEHZUKCBPVDDO-UHFFFAOYSA-N 440.300 4.282 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCSCc3ccccc3F)cc2F)C[C@@H](C)O1 918189528 YXRLONAVIOCKSR-IAGOWNOFSA-N 449.567 4.311 10 20 IICD CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918213718 RIULCTNDSLGDPD-LJQANCHMSA-N 425.573 4.243 10 20 IICD CCc1nc2cc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc2o1 918219728 OQYMINJQZCZWRS-GJZGRUSLSA-N 426.492 4.465 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)c(C)n1-c1ccccc1 918249947 IRBJXISJHUXXMM-UHFFFAOYSA-N 448.542 4.131 10 20 IICD Cc1cc(C(=O)CN2C(=O)CN(C3CCCC3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 1116053304 OWLKGBVDOWMGBE-UHFFFAOYSA-N 445.466 4.085 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2[C@H]4C=CS[C@H]42)C3)cc1 1800514016 CVVMEUBVPGYRKU-VBMBFDHTSA-N 447.604 4.221 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1 195547131 MDVASORJBXVXGF-UHFFFAOYSA-N 437.519 4.381 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3nc(-c4cccnc4)no3)C(C)C)ccc21 483583708 ZDTAHBWMDMYBDN-QFIPXVFZSA-N 447.539 4.477 10 20 IICD Cc1cc(I)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 542986675 RWUSXZJUPQHRRU-UHFFFAOYSA-N 437.281 4.097 10 20 IICD O=C(Nc1cccc(-c2cccs2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 726287886 QCMZEARULSLQFX-FQEVSTJZSA-N 436.533 4.267 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@H]1c1cccc(Br)c1 726610114 CJXRDSLWYUPSLU-VQTJNVASSA-N 446.414 4.358 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c2c(c1)C[C@H](C)O2 727860677 FXDPWPXYDCBJPG-ZTPSMGMTSA-N 440.546 4.383 10 20 IICD O=C1/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1CCc1cccnc1 727863787 JLYIYWVVOHCANG-PQDCBLBRSA-N 426.563 4.083 10 20 IICD COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 728408559 ANFYPCFKASSQJZ-HXUWFJFHSA-N 430.464 4.169 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSc2ccc3c(c2)OCCO3)cc1 728839287 BINKTBMTJNSFDO-UHFFFAOYSA-N 440.487 4.207 10 20 IICD Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)c2ccccc2)cc1 729825842 IRQZJVCYCKDZCL-QHCPKHFHSA-N 433.527 4.378 10 20 IICD CC(C)(C)n1nccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 730484931 XYAUPZOMOLXHPS-OWBHPGMISA-N 434.612 4.320 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)ccc1OCCC(C)C 739768158 MCKFTKDEVWAISN-UHFFFAOYSA-N 439.556 4.074 10 20 IICD CC(=O)c1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742754532 PNSUFWGFCNQZOQ-QGZVFWFLSA-N 431.558 4.013 10 20 IICD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 743182642 YNITZQCDCPTGLR-UHFFFAOYSA-N 449.548 4.148 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@@H]1CCOc2ccccc21 743283818 FXYOXLVGZGTBCT-CBAAQYGVSA-N 438.574 4.248 10 20 IICD Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)o1 746314077 REFDYKLEDLSAIU-QGZVFWFLSA-N 428.439 4.045 10 20 IICD COc1sc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1Br 746523807 YGUDWKJTKTXUTP-GHXNOFRVSA-N 449.461 4.308 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cc(C(=O)OC)c(C)o3)sc2C)cc1 751126251 KCNGSNMCILFFDK-UHFFFAOYSA-N 436.511 4.006 10 20 IICD C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Br)cc(Cl)c1O 756432239 QFHJEIXIHYJBFK-OLZOCXBDSA-N 440.769 4.279 10 20 IICD COc1cccc(C2(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)c1 758815628 RRBGHJWDUBDUTH-QGZVFWFLSA-N 431.483 4.254 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1nnc(Cc2ccccc2F)s1 765279532 FIPBCFWAPBIWBW-UHFFFAOYSA-N 437.294 4.058 10 20 IICD Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)n2)cc1 765453102 KXTAEUVWJGJBPM-UHFFFAOYSA-N 435.597 4.425 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1cccc(Br)c1O 765727479 ASSBKFWVIJJJAN-NSHDSACASA-N 427.136 4.412 10 20 IICD Cc1c([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nnn1-c1ccccc1 766238514 ULOFDNHRJRDELL-FUHWJXTLSA-N 427.499 4.497 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(OC(F)F)cc1 767906283 QSJSBOGLQKTMLL-SFHVURJKSA-N 448.510 4.148 10 20 IICD CC1(c2ccccc2)CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 769036106 WSHHJFLAYZEMEO-UHFFFAOYSA-N 439.575 4.487 10 20 IICD C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 780276098 CJQMMRSTLUQGQH-NEPJUHHUSA-N 446.381 4.173 10 20 IICD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784059239 HZAURQNFXSSMQH-UHFFFAOYSA-N 449.530 4.266 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cl)cc1-n1cccn1 788308695 CQNCDGYUYLGOJY-UHFFFAOYSA-N 427.961 4.401 10 20 IICD Cc1ccc([C@H](NCc2cc(Br)cc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 798087985 CDMCEZAEVNPVRP-KBXCAEBGSA-N 426.376 4.036 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(Br)cc(F)c1O 798940283 SCLJZZCHCGZLOV-KPZWWZAWSA-N 437.309 4.385 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)CCCC4)cc2Cl)C1 800636890 QBTUFEGNWSFVSD-MRXNPFEDSA-N 440.975 4.105 10 20 IICD CCCCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccccc1O 801599589 VLJFSVUFINSVDU-UHFFFAOYSA-N 427.614 4.182 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3nnc(O)c4ccccc34)n2CC)cc1 801966349 ICUKKLGZSOCDDW-UHFFFAOYSA-N 431.544 4.096 10 20 IICD CCCC(=O)NC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC)CC1 802042329 DHKQJSVCEASMFE-UHFFFAOYSA-N 434.588 4.258 10 20 IICD CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(OC)c(OC)c1 807446651 RICPPEORXWPUHM-WOJBJXKFSA-N 428.529 4.251 10 20 IICD COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2Cc2cccs2)cc1OC 812363297 XWLCXRSZLRLIML-UHFFFAOYSA-N 436.537 4.414 10 20 IICD Cc1cc(Br)c(O)c([C@@H]2Nc3ccc(Br)cc3C(=O)N2C)c1 877854352 PXQDPMREQLISKT-OAHLLOKOSA-N 426.108 4.422 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)c(N2CCCC2)c(F)c1 916699622 VUBRNCZGDSYXEU-UHFFFAOYSA-N 444.526 4.095 10 20 IICD O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCc1ccc(N2CCCC2)cc1 917196137 WBCFSKKRJHVCQN-UHFFFAOYSA-N 439.610 4.350 10 20 IICD O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 917840552 QJQRDXWOQCOJJM-UHFFFAOYSA-N 440.300 4.282 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 918461615 ILBAVGIEWLGFOC-UHFFFAOYSA-N 445.519 4.165 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1 919749158 LPWCFIGVUCRGSH-UHFFFAOYSA-N 441.578 4.079 10 20 IICD COc1cc(Br)c(OC)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 1317815192 FLOCLHUOZUMFSX-UHFFFAOYSA-N 433.346 4.337 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(OC(F)F)cc(OC(F)F)c3)CC2)cc1 1320068035 PRXAQKRXOHGODU-UHFFFAOYSA-N 442.409 4.251 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3F)[nH]n2)cc1 1821158801 KFKBDLFSZJCWSA-URVUXULASA-N 449.530 4.481 10 20 IICD CCOc1c(Br)cc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc1OC 302635920 PRNKGDHSDQQZTI-MHWRWJLKSA-N 447.354 4.114 10 20 IICD CC1=CC(C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)=S=C1c1ccc(F)cc1 588037000 MLKCYQGVGORXLH-UHFFFAOYSA-N 431.554 4.174 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 728839025 UVTNBWXPIDZLDA-HXUWFJFHSA-N 449.473 4.227 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)c1 729534702 BRFNMBMPMMSCGW-GFCCVEGCSA-N 442.418 4.128 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OCC4CC4)cc3)cc2F)CC1 733634898 WLRNSXCFXHWZGN-UHFFFAOYSA-N 426.536 4.078 10 20 IICD COc1cc(Br)cc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1O 734844878 BQUCVUSIUGVJRP-KRWDZBQOSA-N 434.252 4.179 10 20 IICD Fc1cc(CNC2(c3cccc(Br)c3)CCOCC2)ccc1N1CCOCC1 735926185 LJIUUALQYKISCZ-UHFFFAOYSA-N 449.364 4.220 10 20 IICD CCOCc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743532479 PBOVFLHHLBPFPK-LJQANCHMSA-N 433.499 4.293 10 20 IICD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 744474386 TWGGWZZLRFEAFL-CQSZACIVSA-N 445.496 4.368 10 20 IICD C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N2CCOCC2)cc1 747536846 HHMDRAOMMSTKNN-AQNXPRMDSA-N 438.572 4.020 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 750625774 IOZXLBRQJPRPKF-UHFFFAOYSA-N 438.572 4.345 10 20 IICD O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 751992648 MMJMYDZEOHULCB-HNNXBMFYSA-N 449.878 4.434 10 20 IICD CN(C(=O)CSCC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CCCCC1 752086736 PBFYMNUZZPLRHK-UHFFFAOYSA-N 430.570 4.038 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1nc(Cc2ccccc2Br)cs1 752912903 WKMYWVDXJOCYGN-UHFFFAOYSA-N 448.342 4.272 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 753107622 NSWXBRXBWYGURT-GOSISDBHSA-N 436.339 4.153 10 20 IICD O=C(NC1CCOCC1)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 753892843 CRDRHIVZBLZFCQ-UHFFFAOYSA-N 449.507 4.128 10 20 IICD C[C@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Br)cc(F)c1O 756362797 CVFGQCAFGIHTFT-QMMMGPOBSA-N 433.203 4.206 10 20 IICD CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[C@H]1NC(=O)OC(C)(C)C 757375799 UWBHYIRFVBNMSB-AZUAARDMSA-N 426.561 4.255 10 20 IICD Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ccc3c(c2)CCO3)CC1 760863048 GZWYVMIHQAFKNX-UHFFFAOYSA-N 429.358 4.087 10 20 IICD Cn1ccnc1[C@@H](O)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 760882307 ZEEGCGFCKRVFJO-QHCPKHFHSA-N 432.528 4.220 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1-c1ccccc1 762639630 LPQPDCJCTBPDSJ-UHFFFAOYSA-N 445.588 4.470 10 20 IICD Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 764019617 GVQHVUPFWARWCN-INIZCTEOSA-N 434.452 4.021 10 20 IICD CC(C)(C)c1nnc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn12 769382614 NPAQLFFTGDPNOU-MRXNPFEDSA-N 443.498 4.027 10 20 IICD COc1cccc(CN2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)c1O 769403948 LSIPMVCRXBQPAI-QGZVFWFLSA-N 444.329 4.474 10 20 IICD CC(C)n1cc2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2n1 774125015 UETFQGOOEKUNGV-UHFFFAOYSA-N 433.556 4.205 10 20 IICD C[C@@H](NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccc(N(C)C)cc1 776249608 QACMUPLANFEXAC-LJQANCHMSA-N 449.624 4.465 10 20 IICD COC(=O)N1CCC([C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 777151139 WAAWXMHAOGVDJH-INIZCTEOSA-N 437.500 4.024 10 20 IICD Cc1ccnc2c(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cccc12 777665646 OBEJZKLFIZIZPX-UHFFFAOYSA-N 426.479 4.376 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 780275338 UOZIWXZZWPXHDS-PXDATVDWSA-N 427.589 4.282 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)C2CCCCC2)cc1 784062132 XXXJMYZEIYOTIV-UHFFFAOYSA-N 437.931 4.412 10 20 IICD CC[C@]1(C)Oc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2O1 785873039 SVGRQYVNHAWLSS-HSZRJFAPSA-N 429.492 4.006 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2)CC1 786261873 GTVGTLWUHXSHTA-UHFFFAOYSA-N 447.510 4.217 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 788248609 RQWSYEDADDUSSW-RTWAWAEBSA-N 435.584 4.102 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 788910433 KRYICSIGDGZAQZ-OAQYLSRUSA-N 447.501 4.435 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 789838078 MTGVEQPNPNQCAM-MYGHRHJXSA-N 438.549 4.299 10 20 IICD CN1CC(=O)N(c2cccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)c2)C1=O 796329899 BCZOWPLVKRTKSN-UHFFFAOYSA-N 426.520 4.260 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1cccc(NCc2ccc(N3CCOCC3)cc2)c1 796428095 HLPVHPBNGMXRMI-UHFFFAOYSA-N 443.613 4.089 10 20 IICD COCc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(-c2ccccc2)s1 799320690 HCRODDUVYBAHLJ-KRWDZBQOSA-N 437.565 4.284 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 801912866 HDXWJQQMGYMDMS-LJQANCHMSA-N 431.544 4.448 10 20 IICD CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801938618 JGQDPDBFPCTTSU-UHFFFAOYSA-N 441.576 4.373 10 20 IICD CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)C1 802680291 WLOOZEXRYQWOHQ-JOCHJYFZSA-N 448.615 4.361 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(F)cc3OC3CCOCC3)CC2)cc1 806644558 AGLMHENSQWFKOZ-UHFFFAOYSA-N 443.519 4.183 10 20 IICD CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 806749893 HVZRGVBZZNJTRV-HSZRJFAPSA-N 442.579 4.269 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806920948 OUEALRSRIRKHDP-UHFFFAOYSA-N 426.822 4.198 10 20 IICD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807511418 MLQIYTRZZOSJHI-UHFFFAOYSA-N 448.281 4.463 10 20 IICD CCN1CCN(c2ccc(CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2F)CC1 811478160 CIUAEGNZQRRQQF-UHFFFAOYSA-N 441.334 4.472 10 20 IICD CCc1ccccc1OCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC 812023851 COBKPEVCUYKTTQ-UHFFFAOYSA-N 435.572 4.165 10 20 IICD CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812043352 TUXKDCHRWPSEDU-UHFFFAOYSA-N 430.556 4.095 10 20 IICD O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 847015894 WIFQGYOYQLNYIE-UHFFFAOYSA-N 447.497 4.304 10 20 IICD O=C(COC(=O)c1cccnc1-n1cccn1)Nc1ccc(N=Nc2ccccc2)cc1 878908147 BXAQWUXXVKUDJV-UHFFFAOYSA-N 426.436 4.478 10 20 IICD Cc1cc(CC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 915629170 WRAHSTJKVHSNKS-UHFFFAOYSA-N 429.992 4.443 10 20 IICD CC(=O)c1cc(CN(C)Cc2cccc(Cl)c2Cl)c(O)c(CN2CCOCC2)c1 915814889 OYPYHHNTFSQPII-UHFFFAOYSA-N 437.367 4.366 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 915847561 ALZBYYIOJIKHLN-UHFFFAOYSA-N 445.479 4.282 10 20 IICD CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccsc1 916437138 PTJLRFJNRUJMBK-RTWAWAEBSA-N 431.602 4.227 10 20 IICD Cn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1-c1cnccn1 916663573 KPKJFAOZVXAUPJ-UHFFFAOYSA-N 430.497 4.418 10 20 IICD Cc1cc(NC(=O)C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)no1 916705879 ZQMGAADTHMFIPB-QGZVFWFLSA-N 446.429 4.233 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(OC(F)F)cc3)cc2F)C[C@H](C)O1 917715420 QPWSBOWLIWMGSI-HOTGVXAUSA-N 436.474 4.290 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C 917871829 ZXNYCKWYENHEBW-UHFFFAOYSA-N 449.529 4.334 10 20 IICD C[C@H](OC(=O)/C=C\c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918019411 RTWRDRQFXSUIAB-NYHXXUGCSA-N 431.469 4.107 10 20 IICD Cc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)c(C)n1-c1ccccc1Br 918038202 JJJBRGSAMQGZPP-UHFFFAOYSA-N 437.301 4.085 10 20 IICD O=C1/C(=C/c2ccc3c(c2)CCO3)SC(=S)N1C1CCN(Cc2ccccc2)CC1 920473953 ZUBAKAGLJUMFBQ-JCMHNJIXSA-N 436.602 4.487 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(Br)cc4cccnc34)CC2)cc1 1116419740 QXLUAGYMXQJPSU-UHFFFAOYSA-N 440.341 4.358 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(CN4CCO[C@@H](C)C4)c3)ccc21 486979023 VWEVLHLVHINNMX-IBGZPJMESA-N 449.595 4.055 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3noc(C)n3)c3ccccc3OC)ccc21 505264689 MPNNUVNFQXWILU-HSZRJFAPSA-N 448.523 4.124 10 20 IICD CC(C)c1nc(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1 726610124 DAQUVRDAIOKYIG-HZPDHXFCSA-N 434.581 4.061 10 20 IICD CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1 727248568 HWUQZRQENREITM-CQSZACIVSA-N 440.554 4.100 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)C1 727788848 RYTURRVWMCAGEX-QRQLOZEOSA-N 446.378 4.115 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)cc1 735704769 GTWCUXYIBZNAFO-SFHVURJKSA-N 434.418 4.488 10 20 IICD C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)C[C@@H](C)O1 735927389 QVNNQXULVRKJMJ-WOJBJXKFSA-N 434.536 4.437 10 20 IICD COCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 739598182 GICUOAUUKQYSJJ-UHFFFAOYSA-N 441.597 4.030 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc(N4CCCCC4)n3)c2C)c1 740316952 VPIYGSFLLRXMBK-UHFFFAOYSA-N 432.524 4.223 10 20 IICD O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 740919834 PCGDDSHKPRZXMV-UHFFFAOYSA-N 443.469 4.285 10 20 IICD CCC(CC)c1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)on1 743555382 XCNIQKIUKZOUPA-HOTGVXAUSA-N 432.540 4.330 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3nc([C@H](C)OCC(C)C)no3)c2C)cc1 744698983 QMNODGATQDPRQF-SFHVURJKSA-N 440.544 4.492 10 20 IICD CCN(CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccc(C(F)(F)F)cc1 745782175 ZWQJIWDTICODAS-SFHVURJKSA-N 439.478 4.302 10 20 IICD CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903413 GADJAEWBCBSXPY-HXUWFJFHSA-N 446.542 4.030 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)ccc21 748858794 FEQCFPQKGXXILC-UHFFFAOYSA-N 431.514 4.049 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1C 749645977 SVCYMIMBKRQORK-MRXNPFEDSA-N 428.529 4.230 10 20 IICD O=C(CCc1cc(F)ccc1Br)NCc1ccc(N2CCC(CO)CC2)cc1 752424275 DKRJMCWOSNMVDS-UHFFFAOYSA-N 449.364 4.046 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(-n2ncc3ccccc32)cc1 752789430 FZKRZINZOLMENQ-UHFFFAOYSA-N 427.508 4.184 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 752891490 KQSQXUGSWLJRFT-HZPDHXFCSA-N 444.507 4.082 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)ccc2O)s1 756478096 FFZABVFQDRNMOA-LBPRGKRZSA-N 447.420 4.098 10 20 IICD C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)cc(Cl)c1O 756587069 YTCBAQYUOWAWNG-QMMMGPOBSA-N 439.663 4.380 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(Br)cc(F)c1O 756770793 XEZZJYVKPGZSIY-JSGCOSHPSA-N 430.339 4.197 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)cc(OC)c1OC 759221260 NMIDRPUAKIKHMH-DHIUTWEWSA-N 446.547 4.318 10 20 IICD COc1ccc(Br)cc1CN(C)C(=O)NCCCSc1nccs1 759590114 LWDRVQLGKYJXTM-UHFFFAOYSA-N 430.393 4.238 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccn3)cc2F)C[C@@H](C)O1 765340313 XCXRRQXXSRQJOF-BETUJISGSA-N 426.414 4.175 10 20 IICD CSc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F 766357082 HWNZCUZDQCTAIT-UHFFFAOYSA-N 428.451 4.333 10 20 IICD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccc(Br)c1O 768179093 LVJBDEDQPMUPCN-UHFFFAOYSA-N 442.151 4.296 10 20 IICD CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C(C)C)cc1 769342321 KPSCZLVZAAYNED-VWLOTQADSA-N 439.600 4.286 10 20 IICD CCC(CC)n1ccc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 771123047 NFKPGFYFTCSYPH-UHFFFAOYSA-N 427.570 4.449 10 20 IICD C[C@@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccc(N(C)C)cc1 773017364 VTRYBWPKZDQYEF-DYESRHJHSA-N 441.576 4.012 10 20 IICD Cc1nc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1Br 773611471 ITVBXHBDTBYOTQ-UHFFFAOYSA-N 446.345 4.158 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(-c2ccncc2)ccc1OC 775924825 NEETXIXYEVJIKL-UHFFFAOYSA-N 426.900 4.291 10 20 IICD COc1ccc(Cn2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cn2)cc1OC 778327717 BHEIXYZFDVJEHM-UHFFFAOYSA-N 448.567 4.211 10 20 IICD Cc1cc(Br)cc([C@H](C)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1O 779023836 IYRQTFWGYLZZRI-MEDUHNTESA-N 442.737 4.272 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 780329132 YHUUCBQSEVUHJK-VWLOTQADSA-N 445.563 4.368 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(COc3cccc(F)c3)no2)c1)c1cccs1 780357987 UZTKKULCYRMZQE-UHFFFAOYSA-N 447.469 4.023 10 20 IICD COc1cccc(Cl)c1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 790218729 DGNXHLWHDXMSOM-HUUCEWRRSA-N 435.927 4.101 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 795776165 UOIDDAIBJUNQKU-UHFFFAOYSA-N 448.894 4.016 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](C)c3ccc(SC)cc3)CC2)cc(OC)c1OC 798528226 HRZLZFUWVDPFNK-MRXNPFEDSA-N 445.585 4.027 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 801619894 CWMXJUGGJIYEJC-UHFFFAOYSA-N 425.529 4.471 10 20 IICD Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 804973666 OHSBKGCERDOPOU-UHFFFAOYSA-N 441.531 4.096 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)oc1C 807513222 UYCLNIAGSNOQTL-UHFFFAOYSA-N 434.279 4.226 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(-c2cccnc2)cc1 807667837 GJSXNRKJELRFAU-UHFFFAOYSA-N 442.563 4.014 10 20 IICD Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 807754879 SVFAUHQUDBQFEX-UHFFFAOYSA-N 447.501 4.279 10 20 IICD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1cc(Cl)cc(Cl)c1O 807838030 JKNDCIPSBUXWHW-UHFFFAOYSA-N 436.744 4.223 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Cl)ccc1OC[C@H]1CCCO1 809695550 OKVSBGKCHZVPEI-GOSISDBHSA-N 439.961 4.063 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1c(F)ccc(O)c1F 809745536 BAFAXINYZROFEH-UHFFFAOYSA-N 437.490 4.287 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@@H]1CCCc3ccccc31)c2[N+](=O)[O-] 912913319 ZVKVCNOJCMUIHR-INIZCTEOSA-N 440.455 4.220 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C 914840483 FQASFCRAQDYUIG-UHFFFAOYSA-N 437.613 4.479 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3F)n2)cc1 915291002 KJWKKTKKQHVROP-UHFFFAOYSA-N 447.557 4.127 10 20 IICD Cc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1-c1ccccc1Br 918618405 NNMQCTXMYMZRKC-QGZVFWFLSA-N 443.345 4.484 10 20 IICD Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1cccc(N2CCCC2)c1 919749088 GQZIOYFIMNZFHM-UHFFFAOYSA-N 449.576 4.326 10 20 IICD CCOc1c(Cl)cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920866636 HPXOULMFNAYWHC-INIZCTEOSA-N 447.963 4.144 10 20 IICD CCC(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830609064 WOOCBYATIFTXGG-DEOSSOPVSA-N 449.595 4.307 10 20 IICD CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039296 BZEMSWADJKCZLU-ZRDIBKRKSA-N 444.572 4.017 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 28373192 UKPLQZZMVGPBNR-INIZCTEOSA-N 437.462 4.324 10 20 IICD C[C@@H](OC(=O)/C=C\c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 206747886 RORQBEJJZMCNSE-RBJHHQRMSA-N 431.469 4.107 10 20 IICD Cc1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)ccc1NC(=O)C1=S=CC=C1 534690475 IKRMJSDLCRHOSP-UHFFFAOYSA-N 445.548 4.313 10 20 IICD O=C(NCCN1CCCc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726709856 UDMOURUMAXKEPC-UHFFFAOYSA-N 444.526 4.009 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)ccc21 728516900 QLGDYQVCNBNWHK-UHFFFAOYSA-N 429.561 4.034 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)CC2)cc1 730385972 KFFJOEINOPJFJB-UHFFFAOYSA-N 441.532 4.021 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 731283532 CCKOYWZZEHMSQA-UHFFFAOYSA-N 445.007 4.180 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)cc1F 731408711 CGRDIEAKTGTLOK-UHFFFAOYSA-N 427.520 4.248 10 20 IICD C[C@@H](Oc1cccnc1)C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 735422503 ZCIPURDZLNHVJY-CQSZACIVSA-N 432.388 4.136 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ncc(-c2ccccc2)o1 740062715 QOAMZCFVNNQTCY-SFHVURJKSA-N 434.540 4.111 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1CS(=O)(=O)c1ccccc1 743719417 YHEOAJVYTKELAF-UHFFFAOYSA-N 435.545 4.175 10 20 IICD CCOCc1cc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1OC 747853689 ARXYECVPOWHZLG-UHFFFAOYSA-N 428.842 4.236 10 20 IICD CN(OCc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 749141946 URTBFCKOPPEWBW-LGMDPLHJSA-N 432.592 4.320 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1F 753739891 WDYRIOQVQVKVDG-UHFFFAOYSA-N 439.512 4.111 10 20 IICD CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C(C)C 753841210 MLXAIWHLNREAQI-UHFFFAOYSA-N 441.620 4.494 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 754937933 RPUUMDLHLRNFAN-ZDUSSCGKSA-N 441.871 4.057 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2cc(Br)c(F)cc2O)cc1 756356990 ATAYWMIPGKMOTC-YWZLYKJASA-N 437.353 4.326 10 20 IICD COc1ccc(C(C)(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC 757612308 FQJRJZISQNTEQG-IAGOWNOFSA-N 444.547 4.051 10 20 IICD COc1ccc(C(=O)Nc2ccc(C(=O)NCCCSc3nccs3)s2)cc1 758228956 RCKZHFMWQCJVJF-UHFFFAOYSA-N 433.580 4.378 10 20 IICD CCCOc1ccc(Cl)cc1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 759220659 JWKWGJVUWKXFPJ-UHFFFAOYSA-N 448.947 4.117 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1)C1CCCCC1 759518092 PUVWQOLAGFGVMX-UHFFFAOYSA-N 447.576 4.461 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(CCCO)[C@@H]1CCCc2ccccc21 763077533 RYWREWUOVRQKHO-XMMPIXPASA-N 439.625 4.211 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 765379281 SKMAOULKQIRMOI-ILWGZMRPSA-N 447.595 4.320 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H](CN1CCCCC1)c1ccccc1 765501373 RZNOGOBMLLOTTI-LJQANCHMSA-N 432.362 4.181 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 765534680 KPYNFDLASBVHTO-UHFFFAOYSA-N 433.942 4.457 10 20 IICD CC1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)Cc2ccccc2C1 769154940 YCNCRALQGJTIMR-PDGQHHTCSA-N 442.631 4.403 10 20 IICD CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 770385608 IYMBECRQWXAZEA-HXUWFJFHSA-N 449.960 4.199 10 20 IICD C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1 773987756 HCJMHWVPLKKIME-WMZOPIPTSA-N 445.510 4.084 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 775234257 MRRRSDAYBQOGSX-QUCCMNQESA-N 432.609 4.461 10 20 IICD COc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1N1CCOC1=O 777107592 HAMALWFJIIOHPN-HNNXBMFYSA-N 431.920 4.315 10 20 IICD CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 778619889 AYRBCPWVGFSJEQ-GPZXFYDGSA-N 435.584 4.222 10 20 IICD CCOc1ccc(Br)cc1CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 779510546 BETVIOVBTFQAKN-WMZJFQQLSA-N 432.314 4.463 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C 783315257 BHYYQEQOFGRIKR-UHFFFAOYSA-N 429.536 4.445 10 20 IICD CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 789921668 PKLJXRLGNNUNAY-OAQYLSRUSA-N 425.916 4.047 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 792839138 SRCFRJFMRDXYOK-IBGZPJMESA-N 441.881 4.492 10 20 IICD CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC(F)(F)F)cc1 796761577 ODGNCZLMAUVUTO-HXUWFJFHSA-N 442.503 4.061 10 20 IICD Cc1cc(CC(=O)N2CCn3c(Br)cnc3C2)c(C)n1-c1ccc(Cl)cc1 801243423 VKGOMEKBZJJTNY-UHFFFAOYSA-N 447.764 4.291 10 20 IICD COC[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 802764366 VHVXCZKGIHPFQV-FGZHOGPDSA-N 449.599 4.252 10 20 IICD COc1cc(C)c(Br)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 802838924 DJZXZKMYKWEXIZ-INIZCTEOSA-N 434.330 4.293 10 20 IICD O=C(N[C@@H](c1ccccc1)c1nccs1)C(=O)N(Cc1ccccc1O)C1CCCCC1 804009089 PSDFCLCHDQTXHO-QFIPXVFZSA-N 449.576 4.416 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(F)c(N4CCOCC4)cc3F)c2C)cc1 804895383 IWHRCEWZOIYLLI-UHFFFAOYSA-N 441.478 4.470 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)CC1 805091837 RLXZMEAZKIUINY-UHFFFAOYSA-N 425.558 4.376 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 807512951 DHXXWDFZJYSIPR-UHFFFAOYSA-N 445.306 4.017 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CCC(F)(F)CC1 809286213 GMJXIFBWWANUIN-UHFFFAOYSA-N 428.391 4.020 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCC2)c1 809367628 ANSAMUZNELLUSV-OAQYLSRUSA-N 448.611 4.113 10 20 IICD COc1cc(Br)cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1O 809727069 QZDDLRJFBPIVHZ-LSDHHAIUSA-N 438.322 4.125 10 20 IICD CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cn1 811822614 KPHFHFBRAXBOHC-UHFFFAOYSA-N 428.461 4.091 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](O)c3ccc(OC)cc3)CC2)cc1F 812886002 UTTQBIWBVFNIEF-XMMPIXPASA-N 443.563 4.336 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)[C@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 814106015 NMFYSUOAIFVLFY-HBBPJZECSA-N 432.561 4.067 10 20 IICD O=C(NCc1ccnc(Oc2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916403221 XKMQMMJWBRUYJI-JOCHJYFZSA-N 433.508 4.470 10 20 IICD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)c1C 917698151 PDHYCYTXHUUMPX-UHFFFAOYSA-N 446.551 4.447 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(Cl)c1 917847946 VUFZOMUMOHNWGG-UHFFFAOYSA-N 431.829 4.451 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c(C)n1-c1cccc(Cl)c1 920662430 OPDBCNJUCIDZBU-UHFFFAOYSA-N 438.871 4.125 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H]2CCCC[C@]21c1ccccc1 1323426578 DCBPNDIWDKQSPM-RLWLMLJZSA-N 437.559 4.398 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cc(Cl)c3c(c2)OCCCO3)SC1=S 13186945 SMAIZAXRKQALQI-RVDMUPIBSA-N 441.958 4.348 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 27210394 LGCPPMLIUKKNEP-UHFFFAOYSA-N 435.549 4.274 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[nH]c2c1C(=O)CC(C)(C)C2 216344133 HPVXVZYXEZLHKN-FQEVSTJZSA-N 437.584 4.366 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 303089443 CQKDKJWMIXWAOO-UHFFFAOYSA-N 444.597 4.398 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)Nc3cccc4ccccc34)ccc21 483528547 RUOSXSOWHFJUKO-UHFFFAOYSA-N 429.520 4.426 10 20 IICD Cc1cc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)ccc1NC(=O)C1=S=CC=C1 546467120 PORXZKVCZJSQKH-UHFFFAOYSA-N 432.505 4.254 10 20 IICD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c2)cn1 549268842 KETGYNCYURNYQB-UHFFFAOYSA-N 442.519 4.121 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OCC(F)(F)F)nc3)ccc21 590663951 HJGQRQDJWOOCGS-UHFFFAOYSA-N 435.446 4.171 10 20 IICD Cc1[nH]c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1C(=O)OC(C)C 726565792 UZJGPSOPQMFHCV-UHFFFAOYSA-N 449.498 4.197 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCCO4)SC2=S)cc1 726626787 GAABJXXMLLZPCW-MHWRWJLKSA-N 446.937 4.006 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)CC2)cc1 726702629 NYYKTDVZLXVYJE-UHFFFAOYSA-N 447.583 4.025 10 20 IICD O=C1/C(=C/c2cc(F)c(F)c(F)c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 728083276 IHGLCGPRXXKGBU-YVLHZVERSA-N 437.464 4.319 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1ccc(OC(F)F)cc1 731185173 USBVAKGAOSDKCT-UHFFFAOYSA-N 441.482 4.097 10 20 IICD CCN(CC)c1ccc(CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1F 733153223 LSHKLMRZKHQFIB-KQWNVCNZSA-N 446.526 4.154 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 734658483 HQTCYJUFGRTHFC-UHFFFAOYSA-N 429.568 4.018 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)ccc1[N+](=O)[O-] 734739473 DRKQDDHLFWWXAM-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)c2)CC1 739599926 YRDOSDRSFKIGKY-UHFFFAOYSA-N 447.576 4.391 10 20 IICD CCOc1ccc(N(C)CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1 739927456 XTOFLCJSJAUUIE-UHFFFAOYSA-N 442.512 4.132 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)CC2)cc1 741906937 LPCIPBHLZWETQO-UHFFFAOYSA-N 427.520 4.171 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCCCCC2)nc1 742805588 MLPJUFAMWOELEW-IBGZPJMESA-N 444.526 4.462 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 743186460 PZVCCZYCPIXHJC-UHFFFAOYSA-N 437.537 4.052 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)CC1 746851051 MPOLICNPILIIMF-UHFFFAOYSA-N 425.838 4.313 10 20 IICD COc1ccc(N2CCC(NC(=O)CSCC(=O)c3ccc(Cl)cc3)CC2)cc1 747218635 YULPAJWUZUOPIC-UHFFFAOYSA-N 432.973 4.050 10 20 IICD CSCc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 749309883 CSHFWHYIYLBCCK-UHFFFAOYSA-N 427.526 4.007 10 20 IICD O=S(=O)(c1ccc(Br)cn1)N(Cc1ccccc1O)C1CCCCC1 751136910 NRXPPQVAAMPOJP-UHFFFAOYSA-N 425.348 4.073 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(F)c(Br)cc3F)CC2)cc1 753326485 CQYNMYDJTHNALI-UHFFFAOYSA-N 440.288 4.480 10 20 IICD O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1ccc(N=Nc2ccccc2)cc1 753850425 LIDZVGHNJSTDIS-NHCUHLMSSA-N 426.542 4.082 10 20 IICD CNC(=O)c1ccc(CN[C@H](C)c2cc(Br)cc(Br)c2O)cc1 756397623 WHJYQBYYLBBVHQ-SNVBAGLBSA-N 442.151 4.128 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 756423694 QYHKGHOAPFAQSE-GOSISDBHSA-N 432.520 4.268 10 20 IICD C[C@@H](NCC1(c2cccc(Br)c2)CCOCC1)c1cc([N+](=O)[O-])ccc1O 756479243 JYNAGQKVAONVGK-CQSZACIVSA-N 435.318 4.462 10 20 IICD COc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 756661153 YQHKTXUFGZDCCG-OAHLLOKOSA-N 430.501 4.192 10 20 IICD O=C(Nc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1)c1ccccc1 761000392 ARPZQKXPUXDVFY-UHFFFAOYSA-N 449.894 4.262 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2ccccc2Br)CC1 761390126 IVENFIRXOGBKBJ-UHFFFAOYSA-N 449.732 4.304 10 20 IICD C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 765874102 FKRCMJNKZWUAHN-XDHUDOTRSA-N 425.548 4.300 10 20 IICD C[C@H](NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 766602734 UFVRDMGXNLOBIS-FNZWTVRRSA-N 445.563 4.284 10 20 IICD Cc1cc(C(=O)CN2CCC[C@H]2c2nncn2C)c(C)n1-c1cccc(C(F)(F)F)c1 767766449 NAASCTDQOXEGMA-IBGZPJMESA-N 431.462 4.261 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 770174453 SYHNSDSXGSQZET-QHCPKHFHSA-N 444.535 4.220 10 20 IICD C[C@@H](NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 775256529 ZBDMIAMVXRDTNL-MRXNPFEDSA-N 436.383 4.139 10 20 IICD COC(=O)COc1ccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cc1 782194714 QGEHNYOXXQYFRD-AQTBWJFISA-N 445.587 4.232 10 20 IICD CC(C)Oc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782424880 BWXCBYHHMRQZEZ-UHFFFAOYSA-N 435.524 4.300 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 784031252 YJWIIHCBUVZBOF-UHFFFAOYSA-N 425.710 4.185 10 20 IICD C[C@@H]1C[C@@H](CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 784379878 NCERTVBRLKYBOL-NAOLYYDQSA-N 438.640 4.051 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 788460950 CATMZSNXVIKHRD-NRFANRHFSA-N 441.572 4.128 10 20 IICD Cc1ccc(-n2ncc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2C(C)C)cc1 792274087 QRRQLEDPYBFBCI-SFHVURJKSA-N 433.556 4.186 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)c1ccc(N(C)C)cc1 799259803 ICQONLGKVYOYES-JTQLQIEISA-N 442.716 4.124 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4cnccc34)cc2Cl)C1 800636912 QMOLHBFPOBUSCZ-MRXNPFEDSA-N 436.943 4.379 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 801947370 WHMAVZFZIJPIBX-KHOMTPLRSA-N 435.572 4.145 10 20 IICD O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCc1cc(Cl)cc(Cl)c1O 805278306 XBHVBMWPBMDEMM-UHFFFAOYSA-N 439.274 4.320 10 20 IICD CC(=O)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 808009341 CCRQFXIZVRXLEU-UHFFFAOYSA-N 444.354 4.201 10 20 IICD COc1cc(Br)cc(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1O 809704283 YDFFQQADDVDZPA-QFIPXVFZSA-N 431.374 4.261 10 20 IICD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCCCSc2nccs2)CC1 810398471 MAIONDSRPKSPDL-JKSUJKDBSA-N 425.620 4.025 10 20 IICD CN(Cc1ccccc1O)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCO1 812438216 LQTOAFYMPBHMHG-FQEVSTJZSA-N 442.947 4.422 10 20 IICD CCCOc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822031591 VBXFWDINYACVFU-UHFFFAOYSA-N 430.416 4.411 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CC[C@H]3CCCC[C@@H]3C1)c2[N+](=O)[O-] 823716842 SUFNVLJDKGAJAF-BZUAXINKSA-N 432.476 4.459 10 20 IICD O=S(=O)(c1ccc(NNC(=S)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F 914703430 HHRRRBZPNHRDCM-UHFFFAOYSA-N 427.832 4.086 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 915290519 HLLAEMAABDCJQL-UHFFFAOYSA-N 425.875 4.181 10 20 IICD COc1cccc(-c2n[nH]cc2CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916835760 YPQQZCKPTHITQR-UHFFFAOYSA-N 446.473 4.231 10 20 IICD CCn1c2ccccc2c2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 918304521 XQSXKMUXNDTZHF-UHFFFAOYSA-N 428.536 4.478 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)cc1 918429991 RSOBKYBARDJFMJ-UHFFFAOYSA-N 438.753 4.204 10 20 IICD C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 1116488419 SEDCFTDMNNMGGZ-LJQANCHMSA-N 447.558 4.076 10 20 IICD O=C(CCOc1cc(Cl)ccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 1251125980 DPGASBINYVXRQY-UHFFFAOYSA-N 427.303 4.054 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 1318110463 NDQXNPAMVPWLNV-UHFFFAOYSA-N 446.956 4.423 10 20 IICD C[C@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1O 1325357557 UJJLJRMCIRTFEK-NSHDSACASA-N 431.252 4.254 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](C)c2ccccn2)C3)cc1 1845399213 BSJNBWBLJWZHFS-OAQYLSRUSA-N 442.563 4.110 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 9976582 LLDSMZRBHTUYGY-UHFFFAOYSA-N 432.446 4.224 10 20 IICD O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 65420475 LEGWORKLTGJTOL-UHFFFAOYSA-N 429.731 4.179 10 20 IICD COc1ccc([C@H](NCc2cc(C)c(C)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 237356982 WFHDCNHDTJLLTB-DEOSSOPVSA-N 425.550 4.300 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)ccc21 473551108 PXVJYFMURHUSSQ-PBYQXAPXSA-N 426.582 4.475 10 20 IICD O=C(NCc1ccc(F)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 725876377 OKMYJGUIWWQADZ-UHFFFAOYSA-N 445.844 4.334 10 20 IICD CCCN(Cc1ccccc1O)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 727830838 QHKFEBUVAWDCHZ-UHFFFAOYSA-N 425.842 4.452 10 20 IICD COc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 727841848 JHFOGQJTFLKXIM-SPEDKVCISA-N 441.547 4.495 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(OC)c(OC)c3)ccc21 728639165 NVGWMDUKUCPHHG-KRWDZBQOSA-N 439.508 4.350 10 20 IICD COc1cccc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1O 729861304 KSZJIPHHZSHGKT-UHFFFAOYSA-N 448.563 4.163 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1F 731409258 OENXLQBMYWLXJR-UHFFFAOYSA-N 447.510 4.158 10 20 IICD O=C(NCCCSc1nccs1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 733974320 MSGCFJYBYSIGGM-GFCCVEGCSA-N 430.382 4.101 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 734687017 BWMPFEFZKGJIHX-HXUWFJFHSA-N 432.362 4.107 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(OCC2CCOCC2)cc1 737027956 ZIHGPWKJQJXPAK-UHFFFAOYSA-N 441.597 4.367 10 20 IICD CCO[C@@H](C)c1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 742551529 ICFDHPKMLMQSFX-ZDUSSCGKSA-N 443.491 4.026 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CCc2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1 742754556 QCKRMPHOVVZOHP-OAQYLSRUSA-N 429.536 4.207 10 20 IICD CCO[C@@H](C)c1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 742799568 LTGPYCXTIBKUIT-UONOGXRCSA-N 425.501 4.241 10 20 IICD COc1cccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 745702068 KRYCZIRFEASCIK-OAHLLOKOSA-N 437.471 4.353 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)c(F)cc1I 760365944 SNAITGWVKKSMIS-UHFFFAOYSA-N 442.247 4.100 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCc1cccc(C(F)(F)F)c1 761153113 DOJKYNQRCXAGOT-UHFFFAOYSA-N 426.822 4.461 10 20 IICD CN(C)c1ccc(-c2cncc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cc1 761711393 QYXXHPCMGMSWIA-XMMPIXPASA-N 431.536 4.342 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)CCC2 765282603 VTLVVCDRGMOTMH-IBGZPJMESA-N 431.559 4.282 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1cccc(Br)c1O 765301067 MLISGSCNWBDNDM-UHFFFAOYSA-N 430.306 4.316 10 20 IICD Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1Br 769260306 LWAYWBQKAJEOCS-UHFFFAOYSA-N 444.373 4.345 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1 771290876 QTZVSMMMEFVILI-IBGZPJMESA-N 446.473 4.241 10 20 IICD COc1cnccc1-c1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 771540571 BPWWTXUTNBAOFV-GDNBJRDFSA-N 444.563 4.036 10 20 IICD Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 771949873 DIZACNSUYTZKOO-QGZVFWFLSA-N 431.374 4.404 10 20 IICD C[C@H](CCCC(F)(F)F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775491323 IDSPVKOWUJQLAJ-MRXNPFEDSA-N 425.474 4.153 10 20 IICD Cc1c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1S(=O)(=O)NC(C)(C)C 775637458 QZOXEKMHDUVRSV-INIZCTEOSA-N 432.590 4.021 10 20 IICD COc1ccc([C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(F)(F)F)cc1 776000647 YTJKDYIOBURCLU-ICSRJNTNSA-N 438.446 4.395 10 20 IICD CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1C 776042746 UTORGHBKYJDALH-QGZVFWFLSA-N 425.577 4.186 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c(C)o1 776302547 PEBGXQCIKHQCPH-INIZCTEOSA-N 435.571 4.418 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 779474166 PGZXIFGJKBCAQY-ZDUSSCGKSA-N 445.317 4.291 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)n1-c1cccc(Br)c1 782866373 CHGVIFRRYKJJQS-KRWDZBQOSA-N 433.346 4.272 10 20 IICD CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 783079097 DIQBJCGYRJGWQI-UHFFFAOYSA-N 426.252 4.183 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784112898 PPOJHVWWFDWHHS-UHFFFAOYSA-N 445.523 4.321 10 20 IICD CCOc1cccc(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)c1O 786579401 SPTJOQCYSLRZMN-UHFFFAOYSA-N 438.362 4.335 10 20 IICD CCC1(CC)Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2O1 787879264 KRNJVSUXYFFKBD-UHFFFAOYSA-N 437.540 4.170 10 20 IICD C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1O 788646190 JVEHIBCJCIKUOC-HNNXBMFYSA-N 442.503 4.436 10 20 IICD CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 788841589 MGRBCYYRYUBYDV-UHFFFAOYSA-N 437.568 4.169 10 20 IICD COc1cccc(/C=C2/SC(=S)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)n1 790108853 WUFSWYHHUJYAPU-NTEUORMPSA-N 426.441 4.390 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1nc(Br)ccc1Br 790291755 XCXOTBCWHWBLHK-UHFFFAOYSA-N 439.151 4.137 10 20 IICD OC1CCN(Cc2ccc(CNCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)CC1 796288553 HPVCHBZZELWNIU-UHFFFAOYSA-N 441.619 4.496 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 797647125 YEPWSLVLSHAYQF-SNVBAGLBSA-N 449.330 4.132 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 801626639 OHWNWSIVFGOYFI-UHFFFAOYSA-N 431.558 4.009 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@@H](c3cncc(Br)c3)C3CC3)ccc21 806634814 LJYBWOUFJHZSFI-HXUWFJFHSA-N 429.362 4.177 10 20 IICD CC[C@@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(C(F)(F)F)cc1O 810212806 FINKPTCMZSINMU-LJQANCHMSA-N 444.519 4.480 10 20 IICD CC[C@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCCCO1 812443227 KFAPHRYEFHWPAU-UGKGYDQZSA-N 427.593 4.086 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Br)c1 812479491 DNKFUVGQZJMEJI-OAHLLOKOSA-N 435.337 4.235 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C(=O)N(C)C)cc1 813855735 SPTCIDBWRHBIJZ-INIZCTEOSA-N 435.490 4.095 10 20 IICD C[C@H](N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 815653221 HHJALCWZMAWHGN-IUKKYPGJSA-N 443.538 4.204 10 20 IICD Cc1ccc(CN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)CC2=O)cc1 914454653 JSMUNIFBHMKUNZ-HSZRJFAPSA-N 445.563 4.232 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 915847828 XBSKIINOPXUSBT-UHFFFAOYSA-N 445.567 4.324 10 20 IICD CCCn1c(CNc2ccccc2OCC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 917826082 SFFPFPBMSUCMGL-UHFFFAOYSA-N 444.601 4.344 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NS(C)(=O)=O 918033911 YKSBACBKJQNPKL-UHFFFAOYSA-N 447.944 4.380 10 20 IICD CCN(CC)c1ccc(CNC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)cc1 918623887 FVYPLPVIFZVZEU-NRFANRHFSA-N 446.389 4.179 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 919968803 KTZNOWJAZQNIMB-UHFFFAOYSA-N 443.547 4.078 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1)c1cc(O)nc(O)c1 1788429157 WPRYMANJWWPHQP-UHFFFAOYSA-N 443.459 4.301 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccccn3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775787 OFTKWTUAFHVJGU-UHFFFAOYSA-N 437.883 4.208 10 20 IICD Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1800491521 JXAXWGRYJLISHQ-QDMKHBRRSA-N 449.334 4.279 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3C)c2C)cc1 10243362 HKXUTWWXJHOSNB-UHFFFAOYSA-N 439.533 4.154 10 20 IICD O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801228 FEFHBIMTTAUQHQ-STZFKDTASA-N 434.542 4.450 10 20 IICD CN1CCCc2cc(CNC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)ccc21 728239313 PSXPDRPRXWJJSG-UHFFFAOYSA-N 431.458 4.145 10 20 IICD COc1ccccc1[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 728467047 YNFJREBDTJAESU-INIZCTEOSA-N 436.474 4.361 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 729061336 AXCIYGZDHITOMT-ZDUSSCGKSA-N 432.904 4.192 10 20 IICD O=C(COC(=O)CN1Cc2ccccc2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 730057829 SOGIIORMSJKJIN-UHFFFAOYSA-N 428.448 4.240 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2)cc1 730900090 KNCGYJLOYQVALM-NRFANRHFSA-N 443.519 4.183 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cc(F)cc(N4CCOCC4)c3)cc2)CC1 731106920 CCKITXBCEGVFOO-UHFFFAOYSA-N 426.536 4.220 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2ccccc2CC1 734783656 MOMZOEOYNHCQBY-XDJHFCHBSA-N 442.631 4.357 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 741284504 RWBCCCFNEOJLID-SFHVURJKSA-N 434.367 4.461 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Nc2ncccn2)c1 742806572 RTHSSCOYLYPLDV-SFHVURJKSA-N 439.466 4.220 10 20 IICD CC(C)c1ccc(-n2cc(O)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n2)cc1 743339542 SYDHTMRXIGAWMQ-OAQYLSRUSA-N 435.524 4.228 10 20 IICD CN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc2c(c1)CCCN2C 746984199 CAQMESAZZLCWDA-UHFFFAOYSA-N 432.362 4.052 10 20 IICD Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 751136766 MMLQNMXSQJUULM-QGZVFWFLSA-N 429.460 4.089 10 20 IICD CC(C)Cn1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c2ccccc2c1=O 751301869 HMLRAHOCTBPTIO-UHFFFAOYSA-N 438.491 4.015 10 20 IICD Cc1cc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 752303368 DWZKSJWFKSLQOB-UHFFFAOYSA-N 426.561 4.256 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F 752888243 LOGIVYVRZPDIAT-UHFFFAOYSA-N 437.462 4.174 10 20 IICD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 755745181 YTOFVPPVJIDYCG-LVNJIZSUSA-N 429.480 4.031 10 20 IICD C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc2c(cc1O)CCCC2 756392783 NDGMGPCTFIUKTB-SFHVURJKSA-N 428.598 4.296 10 20 IICD Cc1cc(Br)cn2cc(CCNCc3cc(Br)ccc3O)nc12 757964946 OAGXZOMKIUWLAO-UHFFFAOYSA-N 439.151 4.206 10 20 IICD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 759030804 ILMNVDBIFITIRV-SFHVURJKSA-N 435.568 4.213 10 20 IICD Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 759370564 ORHVKMZPSIZYQB-JOCHJYFZSA-N 449.595 4.002 10 20 IICD O=C([C@@H]1COc2ccc(Br)cc21)N(Cc1ccco1)Cc1ccccc1O 759380571 FNGCSXVLTDTMKH-GOSISDBHSA-N 428.282 4.453 10 20 IICD C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 759595973 SNTGFVNPVRWIDX-NXSJDDFASA-N 429.778 4.354 10 20 IICD C[C@@H](N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(N2CCOCC2)c(F)c1 762780653 PCFFUFDCYCOVBW-MWTRTKDXSA-N 428.939 4.489 10 20 IICD C[C@H](N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(N2CCOCC2)c(F)c1 762780654 PCFFUFDCYCOVBW-QMHKHESXSA-N 428.939 4.489 10 20 IICD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc(N3CCOCC3)cc2)c1 763495335 CNOJQJOCPPLDHH-LJQANCHMSA-N 440.563 4.087 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cnn1-c1ccccn1 764527967 VLRWQBFXLAJFOH-UHFFFAOYSA-N 431.930 4.153 10 20 IICD COc1ccccc1[C@@H](CNC(=O)NCc1cccc(Br)c1O)OC(C)C 764804903 JUCNCWIJOGWKKH-GOSISDBHSA-N 437.334 4.129 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(CNC(=O)c2cccs2)cc1 765746548 HOPLIACAOGSRQD-UHFFFAOYSA-N 445.338 4.076 10 20 IICD COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766237129 IQRKSAOAJPXPDM-IRXDYDNUSA-N 433.499 4.272 10 20 IICD CS[C@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 772249099 HSRSNMFEWIHZBX-DLEKYWELSA-N 440.681 4.474 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC(C)C)cc3)n2)c(F)c1 773364230 DPHUCVXVSDTBIA-UHFFFAOYSA-N 449.529 4.496 10 20 IICD Cc1cc(Br)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783314321 LYIHQPFXAXRVLK-UHFFFAOYSA-N 432.362 4.199 10 20 IICD CCC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783483529 ZOEZYEJYUWTUHB-QGZVFWFLSA-N 430.508 4.350 10 20 IICD CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 795546239 ALUBNVZTFWAWOM-UHFFFAOYSA-N 438.552 4.166 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)c2cc(Br)cc(C)c2O)s1 797139892 KGTCOIZZYNQVJU-WOPDTQHZSA-N 441.395 4.191 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)cc2Cl)C1 800548396 OFNCGSBXYHNEIF-OAHLLOKOSA-N 447.988 4.228 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 812030312 LVJKBEFYKFTFMW-FQEVSTJZSA-N 448.615 4.062 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCCSc2nccs2)CC12CCC2 813682225 ZPTQHPOMFAZEBQ-OAHLLOKOSA-N 440.635 4.247 10 20 IICD O=c1c(Br)c(NCc2cc(Cl)cc(Cl)c2O)cnn1-c1ccccn1 814893021 AAPZEBHQJLQUMA-UHFFFAOYSA-N 442.100 4.015 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 819519454 VRRGLGBRSJDNCJ-OAHLLOKOSA-N 434.483 4.121 10 20 IICD O=C(NCc1cc2ccccc2o1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916631300 OEKYHRSFWAVVKW-UHFFFAOYSA-N 433.430 4.288 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1csc(-c2ccc(Cl)cc2)n1 919970895 IFUVLODVGIGMCR-UHFFFAOYSA-N 445.947 4.494 10 20 IICD C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc(N3CCN(C)CC3)c(F)c2)SC1=S 1115863441 CBHJLDFEUFOEDJ-FZTKDMFXSA-N 433.618 4.357 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cccn2)c(F)c1 1318794794 KHGPXLFYLNAJPN-MRXNPFEDSA-N 430.430 4.012 10 20 IICD Cc1c(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)sc2cccc(F)c12 1340972408 LQLREQJWJLFLRR-UHFFFAOYSA-N 448.585 4.036 10 20 IICD O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 10925099 RKOMAHWFXBOGFJ-UHFFFAOYSA-N 449.802 4.063 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2coc(-c3cccs3)n2)cc1 303243225 CQIYXFOIYCDVGB-FQEVSTJZSA-N 425.554 4.219 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)Nc4ccc(O)cc4)CC3)ccc21 473931795 KZBDZFHQBBQTQX-UHFFFAOYSA-N 449.551 4.101 10 20 IICD O=C(Nc1ccc(-c2nc(C3(c4ccccc4)CCOCC3)no2)cc1)C1=S=CC=C1 580800849 OOZCHTTWZNKPIN-UHFFFAOYSA-N 431.517 4.049 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Br 726277171 XZNXSGQWENWSMN-UHFFFAOYSA-N 432.362 4.398 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 727170583 UAGLHBDWIINNBI-KDURUIRLSA-N 444.597 4.111 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 727249547 AMKGWUZESFRZNP-UHFFFAOYSA-N 439.921 4.105 10 20 IICD CC[C@@H]1CCCN1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 727733708 NYZPVDZINCMGPU-MFYHJKBNSA-N 439.400 4.051 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 728839360 DFJNQDWLOCZPKO-UHFFFAOYSA-N 448.894 4.014 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 729037800 REHSKEJJBYHRLF-ZACQAIPSSA-N 425.529 4.402 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2C)sc(C)c1-c1ccccc1 731099736 SAHWZUGAYIOZIN-UHFFFAOYSA-N 438.505 4.399 10 20 IICD COC(=O)COc1c(C)cc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)cc1C 734881259 YOBBTPDXYDESKC-YVLHZVERSA-N 431.579 4.245 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc(-n4cccn4)ccn3)c2C)c1 736845939 AXYBPUSICDSADY-UHFFFAOYSA-N 446.532 4.436 10 20 IICD C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 738461058 UFRKCQINWYNNCK-ZACQAIPSSA-N 429.511 4.407 10 20 IICD COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1O[C@H](C)C2 742804707 ARNBRHSLTLZMIM-RHSMWYFYSA-N 432.467 4.019 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(CCN2CCSCC2)cc1 743127917 MMLSCIUKVWRKLM-UHFFFAOYSA-N 425.598 4.184 10 20 IICD Cc1cccc2c(CCNC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c[nH]c12 743554385 CMOGABAYCNRXFK-HDICACEKSA-N 438.547 4.271 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 743808688 BXYHNAJHSHDKRZ-GOSISDBHSA-N 431.374 4.415 10 20 IICD COCCN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)c(OC)c1 746475503 VFOZHLMUNDTJAS-UHFFFAOYSA-N 445.516 4.058 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3csc(C4CC4)n3)c2C)cc1 747506201 WDKOSZKDOSZPLQ-UHFFFAOYSA-N 438.505 4.254 10 20 IICD CCCn1c(/C(Cl)=C/c2ccc(Cl)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 749000335 XAKICBIHFHIBTG-GDNBJRDFSA-N 439.368 4.482 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 751464813 FHDPJCDYTXPXBC-UHFFFAOYSA-N 440.359 4.204 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1 756335337 HWRBDXMLEZJFNE-DEOSSOPVSA-N 437.584 4.392 10 20 IICD C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)cc(Cl)c1O 756587057 YTCBAQYUOWAWNG-MRVPVSSYSA-N 439.663 4.380 10 20 IICD C[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)c(F)cc1O 756650155 LPHXJCSZPTXLIH-GOEBONIOSA-N 435.337 4.178 10 20 IICD C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O 756872986 FOUFTOHIIDMFMX-YWZLYKJASA-N 444.532 4.283 10 20 IICD Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c(C)n1-c1ccccc1Br 762083953 YGFFGLZPXDHSTB-UHFFFAOYSA-N 445.279 4.386 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC3CCN(C(=O)C(C)(C)C)CC3)ccc21 762898006 ZLDYFKHBIAUEHY-UHFFFAOYSA-N 428.573 4.346 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 765080460 PPMGPGAOKNTDHZ-MRXNPFEDSA-N 449.473 4.349 10 20 IICD C[C@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 765595532 MGAARMMPEVBSFZ-BJLQDIEVSA-N 435.584 4.349 10 20 IICD CC(C)n1cc2c(n1)[C@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CCC2 765885818 XDVZNUYDBPWPMI-HXUWFJFHSA-N 447.530 4.411 10 20 IICD O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCSC2(CCOCC2)C1 771584267 YHMRIOAAWCHSRY-UHFFFAOYSA-N 439.606 4.365 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772588065 AEPLUBDHRLFKOP-CEMLEFRQSA-N 445.485 4.070 10 20 IICD Cn1nc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 773538422 MDXLOQUSRJQUIY-UHFFFAOYSA-N 426.480 4.286 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCc2ccccc21)c1ccc(N(C)C)cc1 773845334 HJOTXBTZKLOIBF-IBGZPJMESA-N 442.563 4.131 10 20 IICD COc1ccc(O)c([C@H](C)NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c1 775365872 ZLCBPXUYMJNGJE-KKSFZXQISA-N 443.490 4.497 10 20 IICD Cc1nc([C@@H]2CCCCN2Cc2cc(Br)cc(Br)c2O)no1 775659513 ISFVPBXZBSBOFM-ZDUSSCGKSA-N 431.128 4.336 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCOc2cc(Cl)ccc21 775727076 HMPRCYOXOZXBDG-IBGZPJMESA-N 433.911 4.029 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 776743958 NXTDZSGJPUHHRP-UHFFFAOYSA-N 439.518 4.428 10 20 IICD CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 779529091 LKIADFOOHORBTG-QHCPKHFHSA-N 425.548 4.397 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 785423281 VLZMKTGIMPQJQI-JOCHJYFZSA-N 439.918 4.067 10 20 IICD CC1(C)CC[C@@H]2C[C@@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c3cccc1c32 788909231 FAOSWARVUGXTAR-AUSIDOKSSA-N 431.580 4.319 10 20 IICD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc(N4CCCCC4)cc3)cc2)C1=O 790609818 LTMGILJUPVSVKT-SANMLTNESA-N 432.568 4.192 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cscc3Br)cc2F)C[C@H](C)O1 795360170 LNLXAPSPQOIHEB-RYUDHWBXSA-N 427.339 4.193 10 20 IICD COc1cc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc(OC)c1O 800572232 VVOZTTKRUNZIOK-OAHLLOKOSA-N 432.948 4.158 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)cc1OCC 802610741 OMSVUADFQHFWND-UHFFFAOYSA-N 449.345 4.321 10 20 IICD Cc1cc(C(=O)N[C@H](c2nncn2C)C(C)C)c(C)n1-c1ccc(Br)cc1 804258098 LYYVJYQYMFPLMP-SFHVURJKSA-N 430.350 4.112 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccncc3OCc3ccccc3)CC2)cc1 805765238 QZFRJJDVZQOMHU-UHFFFAOYSA-N 446.551 4.137 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 807624258 GQUOAEJPNIXNIQ-UHFFFAOYSA-N 432.520 4.123 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)n2)cc1[N+](=O)[O-] 809724296 ZKGMXZIPZXZDHO-UHFFFAOYSA-N 448.482 4.353 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Br)c1 812476911 CCROANBPTNPIDH-INIZCTEOSA-N 431.374 4.078 10 20 IICD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(Cl)c(F)cc3O)cc2)CC1 816597917 KISWLVYQCSXISS-UHFFFAOYSA-N 434.895 4.212 10 20 IICD O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 917475708 UPKQHFKXKFOHMG-UHFFFAOYSA-N 443.547 4.385 10 20 IICD CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC1=S 917620811 OODHRMYIAXCKMY-JXAWBTAJSA-N 436.537 4.410 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cccc4c3OCCCO4)SC2=S)c1 917644238 WOGVSWRFXXGCGI-WQRHYEAKSA-N 426.519 4.212 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)s1 918746876 ZIHKPJVOCYNPPQ-JTQLQIEISA-N 425.557 4.079 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)c2C)c1 920293653 UCPBIBLMQRWGLZ-DEOSSOPVSA-N 431.536 4.450 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccc4c(Br)cccc34)cc2)C1 1254028435 ZQOGLKUGLPHFEB-MRXNPFEDSA-N 439.357 4.311 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3F)n[nH]2)cc1 1815515988 JUTUEHHXSCYIAT-RZUBCFFCSA-N 449.530 4.481 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 10963148 FIXFMZNJSQOXAO-UHFFFAOYSA-N 427.932 4.287 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 11437033 TYAMYSGLRRESBU-HXUWFJFHSA-N 447.535 4.115 10 20 IICD COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c(OC)c1OC 15155759 UGQYALUMVVWXHI-UHFFFAOYSA-N 441.455 4.299 10 20 IICD Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 16326790 YASMJONYKICDRG-ZDUSSCGKSA-N 433.411 4.002 10 20 IICD O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 247293003 BNZPQJAARFYPEM-UHFFFAOYSA-N 432.330 4.499 10 20 IICD Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2cc(Br)ccc2n1 444000217 GEXWVDAXEYAHLK-UHFFFAOYSA-N 426.314 4.411 10 20 IICD COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C 466357922 ZNMBLJPBEWHTTL-DFBJGRDBSA-N 444.535 4.075 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3cccc(OC)c3)N3CCCC3)ccc21 484972243 VVEDAHREUIDLBP-AREMUKBSSA-N 449.595 4.480 10 20 IICD CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 725863584 GNGNHAXHILESHE-HOTGVXAUSA-N 435.490 4.449 10 20 IICD CC(C)c1nc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1 726610125 DAQUVRDAIOKYIG-IYBDPMFKSA-N 434.581 4.061 10 20 IICD CN(CCCN1C(=O)/C(=C\c2cccc3c2OCCO3)SC1=S)c1ccccc1 726627584 SANQXBVMJKTCHZ-XDJHFCHBSA-N 426.563 4.186 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc(-c2cccc(Br)c2)n1 728697357 FFDSVLQQAFTWDU-MHWRWJLKSA-N 426.295 4.034 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1 728984752 TYZAXYVWVAIFDS-FGTMMUONSA-N 440.540 4.060 10 20 IICD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731859757 YOTPJOPXHPYJRE-SFHVURJKSA-N 442.462 4.466 10 20 IICD C[C@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Oc1ccccc1 733763366 RFINDLYPRLPPNJ-COYFKBPASA-N 446.619 4.313 10 20 IICD Cc1csc([C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C2CC2)n1 741962778 HIVYMKQLFUNZIC-GOSISDBHSA-N 447.472 4.016 10 20 IICD Cc1cc(CCNC(=O)Nc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccccc1 746770848 UKGNITSTQZOOAQ-UHFFFAOYSA-N 425.554 4.003 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(CCc1ccccc1)C1CC1 746945573 CPJHTEMTAYZUHG-UHFFFAOYSA-N 447.501 4.459 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 749837984 IXRFXYNUNYPYMX-UHFFFAOYSA-N 443.594 4.196 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 750133821 HGQMLVWCRUCKEN-UHFFFAOYSA-N 435.524 4.456 10 20 IICD COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 751042841 DMJSDMJHEVSEOJ-UHFFFAOYSA-N 444.578 4.157 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c(F)cc1F 753978253 LBYSCDCBOOCBRV-UHFFFAOYSA-N 442.440 4.123 10 20 IICD COC1CCC(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1 759188104 XIWIMRXRDZGKRH-JITJBCMDSA-N 433.593 4.030 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccccc1CN1CCCCCC1 761199675 JBLUBOPWBNLMAP-UHFFFAOYSA-N 441.959 4.386 10 20 IICD C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)OC(C)(C)C 762783823 IAEARTDYHDDJGK-SEVUAYLXSA-N 441.596 4.003 10 20 IICD C[C@@H](CC(=O)NCCCSc1nccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763386020 IKGYCJFELIUXKS-JKSUJKDBSA-N 427.636 4.415 10 20 IICD C[C@@H](NCC1(N[C@H](C)c2ccccc2)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 766096772 HXDIOFBOSXRCGQ-NHCUHLMSSA-N 441.591 4.213 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 766468298 YRICBIXBAFMBAM-UHFFFAOYSA-N 438.400 4.421 10 20 IICD CCN(CC)c1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 769315160 UCAKYQNXCGLSSP-SFHVURJKSA-N 435.568 4.347 10 20 IICD Cc1cc(Br)cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1O 775667978 QCOWCFICMDQOIC-UHFFFAOYSA-N 429.318 4.288 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 776507215 RPUDVRXNPLKAGA-WIYYLYMNSA-N 430.593 4.264 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](CCc1ccccc1)C(F)(F)F 778620603 OYDKDQOMCXYEBD-FQEVSTJZSA-N 439.453 4.025 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 784026275 VEKSOIODLLRDFQ-UHFFFAOYSA-N 425.312 4.475 10 20 IICD O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)C(=O)N(Cc1ccco1)Cc1ccccc1O 790911776 KYRPRIMWSCUTPO-ICSRJNTNSA-N 445.519 4.141 10 20 IICD Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c1 799187454 SWOZWSZRKSRMEW-UHFFFAOYSA-N 432.502 4.036 10 20 IICD CC(C)(C)OC(=O)N1CCN(Cc2cccc(Br)c2O)[C@H](c2ccncc2)C1 800541317 WZMZRNMNHIFNDE-SFHVURJKSA-N 448.361 4.344 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 801737075 CIHGXYGXQZDSGO-UHFFFAOYSA-N 425.529 4.152 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC)c(Br)c1 802610554 FROXNEHSYGOULA-UHFFFAOYSA-N 449.345 4.321 10 20 IICD Cc1cc2cc(CNC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2[nH]1 804969129 JWMAAKBEPGKIPQ-UHFFFAOYSA-N 446.473 4.331 10 20 IICD C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 806494215 NDJKJMBAEUGXGF-CKUXNOBLSA-N 434.584 4.071 10 20 IICD CNC(=O)c1cc(Oc2ccc(N[C@@H](C)c3cc(C(=O)OC)ccc3O)cc2F)ccn1 810256377 ZXYSVGCKJOLRNY-ZDUSSCGKSA-N 439.443 4.038 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cc3c(cc2Br)OCCO3)C2CC2)cc1 918028035 GWLDYXLOUZLVJQ-UHFFFAOYSA-N 446.345 4.483 10 20 IICD C[C@H]1C[C@H](C)CN(CCCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 919657050 PQNSNEVINUHQGH-SFTDATJTSA-N 426.605 4.425 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 920345087 WIVGJUNTZAHJEL-KRWDZBQOSA-N 440.371 4.079 10 20 IICD Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1 1115811500 NKIJQBPDNSIOEP-UHFFFAOYSA-N 436.493 4.384 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCC(=O)N1CCCC1 1321544625 HKADYSKPKGAEHG-IBGZPJMESA-N 448.489 4.104 10 20 IICD CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)cn1 1845398196 KGZDNRSXLJRILE-UHFFFAOYSA-N 442.563 4.182 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 97307234 SFNJRKPPBHGPHL-UHFFFAOYSA-N 436.478 4.272 10 20 IICD CCc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cs1 303007771 OBAPTXXCRCVZBF-UHFFFAOYSA-N 426.561 4.210 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 728839351 LGAOVOFAQOZKCI-UHFFFAOYSA-N 433.474 4.080 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(COC(C)C)cc3)cc2F)CC1 730132793 GDQGROCAGXZPGS-UHFFFAOYSA-N 428.552 4.214 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 731282683 VPGJRTUKEPQZOS-NRFANRHFSA-N 431.964 4.041 10 20 IICD Cc1ccc(-n2c(N3CCCC3)nn(CN(C)Cc3ccc(N(C)C)cc3)c2=S)cc1 732496681 FOLGJZQSZHGTJH-UHFFFAOYSA-N 436.629 4.467 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cn3)SC2=S)cc1F 733812767 GACOWUXVDLREHC-MKMNVTDBSA-N 425.304 4.398 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCSC[C@@H]3c3ccccc3)cc2F)C[C@@H](C)O1 734660000 JDCGHDXRWMJUBB-IEGUWTFLSA-N 443.588 4.439 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)C3(c4cccs4)CCCCC3)CC2)cc1 737480622 DPKFUEZBUILJCA-UHFFFAOYSA-N 441.641 4.287 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccncc1)C1CC1 742360788 RFYLHGWWQKRQEY-AQTBWJFISA-N 443.619 4.316 10 20 IICD COc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)sc(C)c1Br 742584126 TYRPIRGTMZODNR-GFCCVEGCSA-N 439.375 4.155 10 20 IICD COC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743123317 IKQQDICUSSWFNZ-MRXNPFEDSA-N 448.470 4.281 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 743808721 CPJCQAHQCWXNOA-INIZCTEOSA-N 441.366 4.293 10 20 IICD CCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](CC)c1ccccc1 746145932 WMFGWDUVDHXZSF-QHCPKHFHSA-N 427.564 4.142 10 20 IICD CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 749023435 XDKXGZNUKGRWCX-UHFFFAOYSA-N 436.593 4.291 10 20 IICD CCOC(=O)c1c(NC(=O)CCN(C)C[C@@H]2CCOC2)sc(C)c1-c1ccccc1 749800167 GTHOZUDHSWZRDQ-KRWDZBQOSA-N 430.570 4.197 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(CNC(=O)C2CCCC2)cc1 751302336 MTFHJHSLMNYLTF-UHFFFAOYSA-N 439.519 4.455 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)cc2F)C[C@@H](C)O1 754158670 GTKVXPZPQHPKJB-ZHSNQQFMSA-N 426.536 4.127 10 20 IICD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 755740844 ABFULKNKILJUPR-LJQANCHMSA-N 434.544 4.262 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)c2C)cc1 757033544 UPVXOMAHTXZBDZ-QFIPXVFZSA-N 445.563 4.066 10 20 IICD COCCCN(C(=O)/C=C/c1cccnc1)c1cccc(NC(=O)/C=C/c2cccnc2)c1 760616988 SGOUAFOOBYRCLP-DCIPZJNNSA-N 442.519 4.211 10 20 IICD Cc1cccc([C@@H]2NC(=O)N([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)c1C 761634150 APPSJZAZXCEXPY-PXNSSMCTSA-N 429.467 4.167 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1csc(CCc2ccccc2)n1 761798936 DPVSOAMKSNWZLQ-UHFFFAOYSA-N 441.940 4.252 10 20 IICD Cc1c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 765332199 HNACPVFPXANRQQ-SJORKVTESA-N 425.964 4.478 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)COC2 769162541 XCYFIDVKVIGNMP-YVLHZVERSA-N 430.576 4.398 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCOC4(CCOCC4)CC3)c2C)c1 769229798 LIXCHBFBJHXJPO-UHFFFAOYSA-N 428.598 4.270 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)c2)CC1 771635041 DDACCAMTJIPLAK-UHFFFAOYSA-N 443.551 4.037 10 20 IICD C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1 772874339 DIMSYEZMDBSUBT-IEBWSBKVSA-N 435.584 4.055 10 20 IICD Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 773223538 ZCADQZLADTWYLL-UHFFFAOYSA-N 432.524 4.237 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)nc1-c1cccc(Cl)c1 775143629 JZNBHHBGCPUPLR-UHFFFAOYSA-N 436.868 4.332 10 20 IICD COc1ncc(/C=C/C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 775846768 AOFAPSLFRUOMKV-VAWYXSNFSA-N 447.470 4.261 10 20 IICD C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccc(N(C)C)cc1 776239628 QGVYRETZOVQZGY-XGRCMKMKSA-N 443.538 4.402 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1 778776973 UQLMUHJSZCDHQT-GOSISDBHSA-N 425.573 4.235 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3cnn(C)c3)ccc2F)cc1 782630147 SSTDDIQZBKMPFI-JOCHJYFZSA-N 436.531 4.114 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OCC1CC1 783317603 XMFVPFNGHYELDO-UHFFFAOYSA-N 427.520 4.056 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 783826105 BRDFVXZXHYYHRP-UHFFFAOYSA-N 439.902 4.490 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058323 PTZLRMGVWIXJOC-UHFFFAOYSA-N 438.553 4.500 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)cc1 793957324 WQELSQSMKHURBB-UHFFFAOYSA-N 444.988 4.071 10 20 IICD COc1ccc(CNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c(O)c1 794379107 ZLBLYHSKDCCENL-UHFFFAOYSA-N 434.521 4.109 10 20 IICD Fc1cc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)ccc1N1CCN(c2ncccn2)CC1 796703724 VBRFXLKGPZYFNG-HSZRJFAPSA-N 449.578 4.077 10 20 IICD COc1ccccc1-n1nccc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 797465875 JREYYYDPJJENTD-UHFFFAOYSA-N 428.483 4.241 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(I)ccc1Cl 797634712 YQMGGRSKBHQFEV-VIFPVBQESA-N 446.672 4.109 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 797648203 VYDSPYLNWDYBTE-HWPZZCPQSA-N 434.361 4.233 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 799183696 YURUMEBBXGIAIK-UHFFFAOYSA-N 438.914 4.060 10 20 IICD CC[C@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc(Cl)c1O 806145897 IDBVCYNJBABMNT-IBGZPJMESA-N 432.948 4.408 10 20 IICD Cc1c(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)oc2ccccc12 806831839 BDVVMEZOLGKVMM-UHFFFAOYSA-N 445.519 4.245 10 20 IICD CCC(CC)c1cc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)on1 807629028 SFEZJIWZGCAOKX-UHFFFAOYSA-N 427.545 4.262 10 20 IICD CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1O 810215315 CVXDBDJCCZJQAY-ACJLOTCBSA-N 430.492 4.463 10 20 IICD Cc1nc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1-c1ccccc1 810273281 AIEIIKUPTTUBRJ-UHFFFAOYSA-N 434.515 4.479 10 20 IICD Cc1cnc(Br)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 812984750 RXRZYFRURVXDGF-UHFFFAOYSA-N 431.334 4.039 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCCc1ccccc1)c2[N+](=O)[O-] 824108986 XLLSNDVKUIXJMO-UHFFFAOYSA-N 428.444 4.123 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)n1 914791915 ZGTKKUVNSYUOPI-UHFFFAOYSA-N 435.502 4.025 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 915320729 WVOSSKPGURXMEI-QZTJIDSGSA-N 445.633 4.262 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cc2ccccc2nc1N1CCOCC1 916127135 GAFBLLXBJGVNFG-NBVRZTHBSA-N 444.560 4.404 10 20 IICD COc1ccc(-c2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)cs2)cc1 917383406 FOPIQMKMDROKMU-UHFFFAOYSA-N 425.579 4.302 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 917387211 WPTJCFQPAPRGHW-OAQYLSRUSA-N 445.588 4.062 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2F)C[C@@H](C)O1 917918306 NMOFNCZAIMRGKV-CALCHBBNSA-N 428.529 4.071 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 919656710 HFWPJIRHPKITFB-JOCHJYFZSA-N 426.586 4.422 10 20 IICD O=C(NCc1ccc(F)cc1)c1nnc(CN2CCCc3cc(OC(F)F)ccc32)s1 919803155 UOXFJONQJOCGBB-UHFFFAOYSA-N 448.470 4.161 10 20 IICD COc1ccc(CNC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c(O)c1 1122014264 XAETZFUWKBNUSG-UHFFFAOYSA-N 435.855 4.060 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccccc1 207810400 OBPNNLOPXWPFQG-CPNJWEJPSA-N 442.562 4.324 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)C3CCN(CCc4ccccn4)CC3)ccc21 486097761 QOZBENUBOVPWNV-UHFFFAOYSA-N 448.611 4.079 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3nc4c(s3)CN(C(C)C)CC4)ccc21 541273325 ONCHIIFLTHZFPF-UHFFFAOYSA-N 426.586 4.380 10 20 IICD Cc1cc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)ccc1NC(=O)C1=S=CC=C1 564128609 BKAXPRZSRVDVOD-UHFFFAOYSA-N 430.411 4.342 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc4sc(C)nc4cc3OC)CC2)cc1 726848114 UARHAOAHMKVEIE-UHFFFAOYSA-N 426.542 4.366 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)n2)cc1[N+](=O)[O-] 727244899 LKTTYODYTNKLDH-UHFFFAOYSA-N 441.494 4.013 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccc(C(N)=O)s2)sc(C)c1-c1ccc(F)cc1 728163201 KVIZLIYURDRNJU-UHFFFAOYSA-N 432.498 4.452 10 20 IICD CNC(=O)c1ccc(CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C2CC2)cc1 728463154 HEYVRCNLFSWDNI-UHFFFAOYSA-N 433.552 4.069 10 20 IICD Cc1cc2n(CN(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c(=O)c3ccccc3n2n1 728903914 AEOGBIRPXGULGL-UHFFFAOYSA-N 443.473 4.046 10 20 IICD C[C@H](NC(=O)N(C)CCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 730123159 GFFLTKCQXJECFL-KRWDZBQOSA-N 446.389 4.231 10 20 IICD COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731049616 GJNLBZYRIGNWFI-QFIPXVFZSA-N 436.600 4.257 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCO[C@@H]3CCCc4ccccc43)CC2)cc1 733847167 KDDYOFUEWBZUEM-RUZDIDTESA-N 437.584 4.448 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 735520148 WWXKYSMCQLPJLM-QFIPXVFZSA-N 437.515 4.084 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)cc2F)C[C@@H](C)O1 735679991 CYTWHHNRFOJIFY-KZFRKFNSSA-N 435.584 4.080 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)n2)cc1 739382324 MIPVXSBAFWKEOH-UHFFFAOYSA-N 444.321 4.099 10 20 IICD CCOc1ccc(N(C)CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 739922395 JXCGKJJMVOACBQ-UHFFFAOYSA-N 427.526 4.301 10 20 IICD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCCCC2)cc1 742475928 GKQGTCLWFBGWTJ-UHFFFAOYSA-N 437.565 4.132 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 745646405 KZKFTSBCDCCHTQ-UHFFFAOYSA-N 426.580 4.476 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 745917594 MMZAXGQQASCWLT-NSHDSACASA-N 425.327 4.128 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]3c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 748825800 ZDRICPWWMXKSKP-DRSNIGMVSA-N 445.966 4.156 10 20 IICD Cc1cccc(Oc2ccccc2NC(=O)C(=O)NCCCSc2nccs2)c1 749730821 FSOPDQRIILHOCA-UHFFFAOYSA-N 427.551 4.481 10 20 IICD Cc1nn(C(C)(C)C)cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 752478769 GVNJZJVSBYHZKS-HXUWFJFHSA-N 443.592 4.008 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1csc([C@@H](C)OC)n1 753057244 QCNBXEOIVKPKBJ-LLVKDONJSA-N 428.352 4.050 10 20 IICD COCC[C@H](Cc1ccco1)NCc1cc(Br)cc(Br)c1O 753571297 UNSDCDJDPYKSHF-CYBMUJFWSA-N 433.140 4.248 10 20 IICD C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)cc(Br)c1O 756795577 GHWLOWMLVJJHFB-MRVPVSSYSA-N 442.107 4.421 10 20 IICD COc1ccc(C(C)(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 757612306 FQJRJZISQNTEQG-CALCHBBNSA-N 444.547 4.051 10 20 IICD COc1cccc(Oc2ncccc2CNC(=O)NCCCSc2nccs2)c1 759582461 FTVGLOLVNLWXSX-UHFFFAOYSA-N 430.555 4.321 10 20 IICD COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2ccc(N3CCOCC3)cc2)c1 759810934 NTOJTCKXYRLOOO-UHFFFAOYSA-N 434.584 4.440 10 20 IICD COc1cc(N2CCN([C@@H](C)C(=O)Nc3cccc4ccccc34)CC2)cc(OC)c1OC 759885624 DWBOYPBQRSNFTF-SFHVURJKSA-N 449.551 4.015 10 20 IICD CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4cc(C)ccc4OC)cs3)cc12 762577490 BOEJMBSUZAPNGU-UHFFFAOYSA-N 430.511 4.027 10 20 IICD Cc1c([C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nnn1-c1ccccc1 765645928 XUHYBVIPTXIJHY-MRXNPFEDSA-N 427.499 4.497 10 20 IICD CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC12CCCCC2 765886841 RQWRBCFGFYTQNU-UHFFFAOYSA-N 447.539 4.434 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(N(C)C)cc1 773847207 QYCFTPYLHCAUQC-QGZVFWFLSA-N 445.523 4.213 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1O 774879015 GHJPUSCHABKCGH-INIZCTEOSA-N 431.247 4.328 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(OCc3ccccc3)cc2O)cc1 775990320 QSRNZEAYIISOOQ-IBGZPJMESA-N 425.550 4.232 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(N(C)C)cc1 776242696 AWUMZLSMWXFHMI-HNNXBMFYSA-N 449.382 4.288 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)cc2)CC1 776302761 UQFOAVYHWWVJGD-UHFFFAOYSA-N 428.535 4.124 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)cc1F 778594564 BRWYEQQOVTYMPF-UHFFFAOYSA-N 427.426 4.092 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3cnc4cc(Cl)c(Cl)cc4n3)cc2)C1 782291342 RETPMAONAGMUFO-CQSZACIVSA-N 430.339 4.250 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 788807437 ZQMHUSMETLLTNM-QRWLVFNGSA-N 434.367 4.286 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 790511885 NFUBEMUXYFTSKA-GOSISDBHSA-N 449.910 4.204 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1O 795693798 JCRHFCFJGSBENT-JRFVFWCSSA-N 429.516 4.333 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2-c2csc(C)n2)cc1F 796809813 RLGKFOAHUJENEO-UHFFFAOYSA-N 440.544 4.359 10 20 IICD Cc1ccc(CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]2CCCO2)c(Br)c1 799141779 BLXFINBRQMVRJQ-LAUBAEHRSA-N 448.357 4.070 10 20 IICD C[C@@H](Sc1ccccc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(N)=O 801089836 UDJVPSFKEYTQSL-QGZVFWFLSA-N 425.598 4.351 10 20 IICD CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2cc(OC)ccc2O)c1 809679575 IPYWVNORXUDVMH-UHFFFAOYSA-N 442.537 4.237 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCCn3c(C)cc(=O)cc3C)c2C)c1 811354952 VZMNNQKDFBAGPO-UHFFFAOYSA-N 434.536 4.387 10 20 IICD Cc1cc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br 812012359 WIAGYTZBSAYOHF-UHFFFAOYSA-N 446.389 4.329 10 20 IICD CN(Cc1ccccc1O)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccccc1 812046703 PDDSXQSKXHDRMV-HSZRJFAPSA-N 428.492 4.181 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C2CCCCC2)cc1 815593768 WMUOSGRNJZZNMT-UHFFFAOYSA-N 426.464 4.135 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1F 857464848 RPGLKVZGINYBNT-UHFFFAOYSA-N 449.313 4.289 10 20 IICD O=C(NC1CC1)c1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1Cl 916690933 AICBLAGMNBXYFA-GOSISDBHSA-N 443.931 4.151 10 20 IICD O=[N+]([O-])c1cc(CNC2CCN(Cc3ccc(F)cc3)CC2)ccc1N1CCCCC1 916837805 ZZQZTHXXGNSRLR-UHFFFAOYSA-N 426.536 4.478 10 20 IICD CCCOCc1ccccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918216862 UPOPVWXFTISPBC-RTBURBONSA-N 443.563 4.365 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1=O 920880594 FFTPWLHGJFZLKS-VWPQPMDRSA-N 449.595 4.267 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(-n2cccc2)ccc1F 1318477389 HMNPMQXPIHWTLV-UHFFFAOYSA-N 426.467 4.038 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3F)C2=O)cc1 1324321818 CNBFAEVNYIRGMF-YAFRSCOQSA-N 435.473 4.311 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1ccccc1 1820406310 WKWZQEOTRYWZRP-KRWDZBQOSA-N 440.887 4.094 10 20 IICD Nc1ncnc2c1ncn2CCCSc1ncc(-c2ccccc2)n1CC(F)(F)F 110398598 MOYIKWISTDLOQF-UHFFFAOYSA-N 433.463 4.017 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4Cl)c3)SC2=S)cn1 726197422 RZOIWGYRRANNDP-IDUWFGFVSA-N 429.958 4.207 10 20 IICD CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 727242354 ZGTHLDLAFIAHBV-UHFFFAOYSA-N 432.523 4.105 10 20 IICD CC[C@H](C)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 727837850 XQPVPAPOVCNFDS-KSFYIVLOSA-N 426.517 4.044 10 20 IICD CC[C@H](N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1 729677369 WWENJUYUVNGNQN-VLIAUNLRSA-N 433.533 4.295 10 20 IICD CCc1nc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 732228456 NBSILNJPMCNQMR-ZIAGYGMSSA-N 433.533 4.159 10 20 IICD Cc1cc(C(=O)O[C@@H](C)c2nc3cc(Br)cnc3[nH]2)c(C)n1-c1ccccn1 735213923 HTJQUIXSWSHOCW-ZDUSSCGKSA-N 440.301 4.441 10 20 IICD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1OC 740801064 NJTQLDJJQVAJBE-UHFFFAOYSA-N 443.500 4.261 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ncccc3I)cc2F)C[C@@H](C)O1 740866445 QZDYWPHDROJCNB-CHWSQXEVSA-N 441.288 4.051 10 20 IICD Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1-c1cccc(Br)c1 741712625 WQXUBJXHPACLEN-UHFFFAOYSA-N 435.362 4.172 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 745565528 QOPLWLXFGFKPEM-MRXNPFEDSA-N 432.362 4.213 10 20 IICD C[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)cc1 746169301 YLOGUIPHWHGBIA-MRXNPFEDSA-N 440.931 4.037 10 20 IICD C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 749129580 ZNMDRJGLGUAJAD-MRXNPFEDSA-N 444.457 4.219 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)cc1 751202020 GSSQIUZVZZCWKB-UHFFFAOYSA-N 436.458 4.167 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1 751821825 MKDKBEHCRRNJHK-UHFFFAOYSA-N 447.535 4.002 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)ccc1F 753978603 QNMITAPYMDOILI-UHFFFAOYSA-N 435.477 4.082 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3Br)CC2)cc1F 758269532 DUORNPCTAUOOKO-UHFFFAOYSA-N 426.261 4.090 10 20 IICD CCCN(C(=O)NCCCSc1nccs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 759602814 MCUWXSOUIJMFTC-HNNXBMFYSA-N 428.624 4.056 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4ccccc4F)n3)CC2)cc(OC)c1OC 759886127 IGIJHRRLZFBEQE-UHFFFAOYSA-N 443.544 4.297 10 20 IICD CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 765106818 RWUVVAHBDNGARH-LJQANCHMSA-N 441.597 4.455 10 20 IICD CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1 765283673 WMIZJGMGBAZEPF-HXUWFJFHSA-N 436.337 4.369 10 20 IICD COc1ccc(C2(C(=O)NCc3cccc(Br)c3O)CCCC2)cc1OC 765747643 QFZCRQGHCDYMQE-UHFFFAOYSA-N 434.330 4.300 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 766253809 ZWEIPKGCMQPGSU-OAHLLOKOSA-N 429.514 4.010 10 20 IICD COc1ccc(CN2CCCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2=O)cc1 767203038 WVHONZSCTIMZKP-UHFFFAOYSA-N 437.565 4.039 10 20 IICD CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 767383004 JZUKNQJUUVEKPB-UHFFFAOYSA-N 434.584 4.052 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(I)cc(C)c2C)c1 767959006 TZJRHFAMBNRVJU-LBPRGKRZSA-N 425.266 4.113 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2cc(F)ccc2C1 769164171 QNTUEPPCCIQNQY-LDADJPATSA-N 446.594 4.454 10 20 IICD C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 769721568 DCEULVWKKNXIEX-GFCCVEGCSA-N 442.459 4.148 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CC[C@@H]5CCCC[C@H]5C4)n3)CC2)cc1 771068715 SQKKCKZUVCZOJK-SLFFLAALSA-N 438.572 4.043 10 20 IICD COc1ccc(N(Cc2ccccc2)Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 772597079 BDHBFHAYDBXPPP-UHFFFAOYSA-N 440.927 4.428 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1 775371195 UZQMKIMEBNFASN-KSSFIOAISA-N 425.510 4.084 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H](C)c3ccccc3Cl)cc2F)C[C@@H](C)O1 775573057 XMTSXAQTUZCMDB-BBWFWOEESA-N 433.955 4.060 10 20 IICD CCOc1ccc(O)c(CN2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c1 779614957 WWDQSFCUPTXPMV-HSZRJFAPSA-N 437.540 4.176 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)cc1 784109506 USEYVVCZEZINLJ-UHFFFAOYSA-N 434.584 4.417 10 20 IICD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 784782187 BQVPHNPBJTWPMD-UHFFFAOYSA-N 444.495 4.179 10 20 IICD Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2)c1 787287846 GLPLMYNNPFWMMO-IBGZPJMESA-N 446.551 4.050 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@H](C)c1ncnn1C 788735166 DASFEZCUUWXFFP-KDOFPFPSSA-N 446.477 4.371 10 20 IICD O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)C(=O)N(Cc1ccccc1O)C1CCCCC1 793622678 AJZWISKIQJNPLI-ZEQRLZLVSA-N 436.552 4.090 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC(c2ccc(F)cc2)C1 794237115 ABNILBPCMPQHLU-UHFFFAOYSA-N 436.449 4.491 10 20 IICD C[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(N2CCOCC2)cc1 795592349 IWSXPXQGYUVZAY-MRXNPFEDSA-N 444.457 4.219 10 20 IICD Cc1sc(Br)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 799317109 WYPZUKKPDWAWKN-UHFFFAOYSA-N 427.339 4.033 10 20 IICD O=C1N=C(SCCn2cc([N+](=O)[O-])ccc2=O)S/C1=C\c1csc2ccccc12 814771333 PGUHOHHPKZNSPW-SXGWCWSVSA-N 443.531 4.375 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNc2cc(N3CCOCC3)ccc2Br)c1O 864013109 NVRAYTMYTYRITJ-UHFFFAOYSA-N 442.697 4.165 10 20 IICD COC(=O)c1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1Cl 916682147 UOWCLFUXZMEQEQ-KBPBESRZSA-N 449.910 4.201 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)s1 917850677 QKNTZBAIPDGQLI-UHFFFAOYSA-N 428.944 4.421 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2F)C[C@@H](C)O1 918140361 LUCUSZQJNNWBHN-OKILXGFUSA-N 447.457 4.452 10 20 IICD Cc1csc(CC(=N)NOCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 920400491 KPJPINMQGDIWSQ-UHFFFAOYSA-N 448.495 4.384 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920873400 ALLNIIHRELPVSD-GOSISDBHSA-N 433.512 4.297 10 20 IICD CCc1cc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c(O)c(C(C)(C)C)c1 921048663 QHPKIYZHTVLUIJ-UHFFFAOYSA-N 440.584 4.227 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 921200989 JBSLEKAWHCNHIM-LJQANCHMSA-N 445.032 4.219 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1cccc(Cl)c1F 1319233338 BVCFQSADNWZLAH-UHFFFAOYSA-N 445.844 4.334 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ncccc2F)C3)cc1 1800513223 CIYVKGAKKYAPGP-QQFNCUIESA-N 446.526 4.194 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C4CC4)on3)C2)cc1 1841178138 OURFNOBXGDGOMV-UHFFFAOYSA-N 444.535 4.090 10 20 IICD c1ccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3)c(-c3ccncc3)n2)cc1 236623890 WZSCZKZCBTVHRE-UHFFFAOYSA-N 425.536 4.061 10 20 IICD O=S(=O)(c1ccccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F 301476057 SQLZYWJKYUGIME-ZDUSSCGKSA-N 432.439 4.365 10 20 IICD CCCc1c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cnn1-c1cccc(F)c1 472804780 HCNDQLZIJCJQQW-UHFFFAOYSA-N 447.514 4.019 10 20 IICD CC(C)Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)cc1 727249230 UQTRUQRQSLKIKA-UHFFFAOYSA-N 428.535 4.480 10 20 IICD COc1cccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1O 729576813 ZKQFIINTDFHQAO-UHFFFAOYSA-N 427.501 4.410 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)cc2)CC1 731016422 QHBAUDXCNKOPEK-NRFANRHFSA-N 425.598 4.296 10 20 IICD O=C(COC(=O)c1cc2occc2s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 736896205 IJBQIFYEWHHBJS-UHFFFAOYSA-N 431.425 4.065 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)c1 737183673 LNCCGAWAKVXFDV-SNVBAGLBSA-N 444.887 4.227 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)[nH]n2)NC(=O)OC(C)(C)C)cc1 742750554 DXCZPDKWEKYUBI-QFIPXVFZSA-N 449.555 4.139 10 20 IICD COc1ccc(C[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 743565031 RYNAOTRXLFFRID-RBBKRZOGSA-N 437.584 4.257 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(Cc2ccc(OC)cc2)c1 743807519 COVKSIWZERWQBM-UHFFFAOYSA-N 444.329 4.070 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(OC)c(F)c1 745802332 QOYCFZCDUNABNO-UHFFFAOYSA-N 425.298 4.077 10 20 IICD Cc1cc(C(=O)CSCc2ccc(S(=O)(=O)N(C)C)o2)c(C)n1-c1ccccc1 749699658 HORZFIGATVTMHJ-UHFFFAOYSA-N 432.567 4.054 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 751308161 RQHYZMXVNCLJPO-GOSISDBHSA-N 443.482 4.026 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1c(F)cc(F)cc1Br 753062236 PQRHDPLKIBJPQU-UHFFFAOYSA-N 444.251 4.025 10 20 IICD O=C1/C(=C\c2cn(-c3cccc(Cl)c3Cl)nn2)SC(=S)N1c1cccnc1 754683425 BBYGUKQYJYCTNQ-VGOFMYFVSA-N 434.333 4.375 10 20 IICD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 755105318 YEHFEOOKLAQIJM-UHFFFAOYSA-N 436.512 4.058 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(C)c1Br 756077515 BIZWIDDNPKTKSU-UHFFFAOYSA-N 444.373 4.262 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(C(=O)NCc2ccccc2)cc1 758585055 OHDOOJIFWAFLTJ-UHFFFAOYSA-N 426.567 4.377 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)ccc21 760208674 PTLOKKMRYCWAOU-UHFFFAOYSA-N 433.474 4.164 10 20 IICD CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1F 760336672 HKAJYJKSPCYNMK-UHFFFAOYSA-N 433.486 4.445 10 20 IICD CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C 761996056 RPINJPIAARZIMM-UHFFFAOYSA-N 430.320 4.141 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 762264408 WNIITEJRECHUPX-UHFFFAOYSA-N 441.871 4.244 10 20 IICD C[C@@H](N[C@@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817315 XZQMGDDPFJETOB-ZHRRBRCNSA-N 428.939 4.489 10 20 IICD Cc1ccc(-n2nnc([C@H](C)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2C)cc1 765118583 MKLHBQSTZJKYQI-OTWHNJEPSA-N 437.563 4.488 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1Br 765247053 ZZWJWKKWQVQMBN-ZBFHGGJFSA-N 434.353 4.141 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1)C(C)C 765294306 PMTBGRBFIIAJMH-UHFFFAOYSA-N 434.334 4.233 10 20 IICD O=C(NCc1cccc(Br)c1O)C1(c2cccc(Br)c2)CC1 765731249 INZASSMSRUHISC-UHFFFAOYSA-N 425.120 4.265 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766487387 GLYOTWYTXARJNW-AWEZNQCLSA-N 449.873 4.180 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c(C)n1-c1ccc(Br)cc1 766845962 SFWGSOXRGLFSGA-SFHVURJKSA-N 431.330 4.184 10 20 IICD COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1OC(C)C 768016784 PINIQFBHRPFSKD-UHFFFAOYSA-N 439.556 4.070 10 20 IICD CN1CCCc2cc(CNCc3cc(Br)cc(Br)c3N)ccc21 769495943 XLLCQLWZACSOIL-UHFFFAOYSA-N 439.195 4.466 10 20 IICD Cc1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 772732344 YOFFHCHMBZKLGJ-QFIPXVFZSA-N 440.551 4.385 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(C)c2Br)cc1 772945985 FZUONIBSKLWBDS-UHFFFAOYSA-N 443.345 4.104 10 20 IICD C[C@H](NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N(C)C)cc1 773622782 HWGQDZBVXRKELI-KRWDZBQOSA-N 428.964 4.025 10 20 IICD C[C@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 775256116 VRYOMPXCPWQYPH-NRFANRHFSA-N 445.563 4.392 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1F 780054602 BDYRNYJCQLUCCY-UHFFFAOYSA-N 443.853 4.182 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3OCc3ccc(F)cc3)c2)CC1 781270146 GVNFKRHSEMLXAV-UHFFFAOYSA-N 447.510 4.326 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1N1CCCS1(=O)=O 782777704 AOXCSYREADSENZ-UHFFFAOYSA-N 444.601 4.043 10 20 IICD CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 782929155 SUKYSYQTSCRBQP-MRXNPFEDSA-N 441.416 4.318 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)nn1-c1cccc(F)c1 784061937 HSXVWZFHTLTIGH-UHFFFAOYSA-N 435.503 4.206 10 20 IICD O=[N+]([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(Cl)c1 784499956 YBDYGFFGXUNCGT-UHFFFAOYSA-N 429.826 4.393 10 20 IICD C[C@@H](CONC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC(=O)OC(C)(C)C 785389366 KYPHXGFXMZKZOL-HNNXBMFYSA-N 441.488 4.002 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccnc1-c1cnn(C)c1 786208314 CPVQOMCFKJSTCK-UHFFFAOYSA-N 430.306 4.004 10 20 IICD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnn(Cc2ccccc2)c1Cl 789130942 SOGZYIRZVABKOH-GDNBJRDFSA-N 433.855 4.147 10 20 IICD COc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(-n3cncn3)c(F)c2)SC1=S 792562398 LCRDFKGZDGQEJX-REZTVBANSA-N 446.916 4.474 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 792839139 SRCFRJFMRDXYOK-LJQANCHMSA-N 441.881 4.492 10 20 IICD Cc1c([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)oc2ccccc12 793629744 ZMRBCFRGNFYBHQ-LJQANCHMSA-N 433.552 4.471 10 20 IICD C[C@@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 794843388 WGSUSJLONOPOFG-RFAUZJTJSA-N 449.223 4.466 10 20 IICD COc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1NS(C)(=O)=O 796330219 MQEKAVXXYCOWLC-UHFFFAOYSA-N 437.565 4.242 10 20 IICD COc1ccccc1Nc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 800546032 CAEPDUYSOIFEEZ-UHFFFAOYSA-N 444.535 4.360 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 801614325 WCAJWGNXRUTQAM-UHFFFAOYSA-N 425.529 4.228 10 20 IICD Cc1noc([C@H]2CCCCN2Cc2cc(Br)cc(Br)c2O)n1 809718377 JETPCKCSCKTMII-CYBMUJFWSA-N 431.128 4.336 10 20 IICD Cc1cc(CC(=O)N[C@@H](C)c2noc(COC(C)C)n2)c(C)n1-c1ccc(Cl)cc1 812378302 FUIOBWBZEWUJKH-HNNXBMFYSA-N 430.936 4.475 10 20 IICD CCOc1ccc([C@H](O)C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 812777112 XCSXNZLHXOOAAU-VWLOTQADSA-N 428.548 4.007 10 20 IICD Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c1 817932124 QNGPFHRBLULMEN-KGENOOAVSA-N 448.523 4.289 10 20 IICD CCCCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 832926827 DZBVHWPZRGKJSZ-OAQYLSRUSA-N 437.005 4.106 10 20 IICD Cc1oc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(NC(=O)c3ccccc3)c2c1C 914530692 OGTDSSYEKVHZAX-UHFFFAOYSA-N 449.488 4.478 10 20 IICD COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)C2)sc(C)c1-c1ccc(Cl)cc1Cl 914727041 KYAJNFQNLNCGKK-SNVBAGLBSA-N 441.336 4.234 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 914793344 IFXAQZOMPMRJAO-UHFFFAOYSA-N 427.410 4.121 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(Br)cc2)n1 915222543 JIBMHCOEOFPXFT-UHFFFAOYSA-N 425.329 4.382 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(C2SCCS2)c1 916674330 ZXYIYUGHYNAVGO-UHFFFAOYSA-N 433.574 4.463 10 20 IICD CCOc1ccc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917202528 LNNOHQBLLLVYHX-CALCHBBNSA-N 432.561 4.247 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)sc2C)cc1 917846044 JSMBYFBYNJCARD-UHFFFAOYSA-N 443.550 4.203 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(OC4CCCC4)c3)cc2)C1 918031980 RZHUTCBUSLDTCS-LJQANCHMSA-N 436.556 4.031 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1 918187187 XSUNDMUVOWJHEE-HUUCEWRRSA-N 437.462 4.040 10 20 IICD Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1 919655584 ZBFCYJYAPQFECD-UHFFFAOYSA-N 444.539 4.147 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 920871790 GGCDTCULSMWMDR-CQSZACIVSA-N 441.425 4.486 10 20 IICD C[C@@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 920873286 SWOIVFAXPWBEIZ-KNQAVFIVSA-N 439.556 4.354 10 20 IICD CCN(CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 921119247 LCAWIPKOXURFLN-UHFFFAOYSA-N 440.657 4.293 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(N2CCOCC2)cc1 1318030194 CODOMIIVRWDCOF-ICSRJNTNSA-N 433.556 4.050 10 20 IICD C[C@H](CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N(C)C(=O)OC(C)(C)C 1338933018 JRIFOPPRRFSJOD-LJQANCHMSA-N 432.609 4.464 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(F)F)[nH]n2)cc1 1821158776 JBIGRQXXOUDDSP-LJQANCHMSA-N 441.482 4.388 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3SC(F)F)cc2F)C[C@@H](C)O1 108453547 KBAOIRDADVRDJK-CHWSQXEVSA-N 425.476 4.079 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)C1 462421852 ZMTFDVIFFBHVKT-HXUWFJFHSA-N 439.506 4.326 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)ccc21 592685176 QRJFOYBIIIRFFF-IBGZPJMESA-N 427.495 4.191 10 20 IICD CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@H](C)c3cc(OC)ccc3O)c2c1C 728908531 KCLMBCDLPYYKCO-CYBMUJFWSA-N 444.557 4.125 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 734703352 NJLFZMMOSZBBBE-UHFFFAOYSA-N 446.482 4.263 10 20 IICD O=C(Nc1ccc2ccccc2c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743974682 DIBLDLZUBUFBKB-IBGZPJMESA-N 439.462 4.165 10 20 IICD O=C(NCCc1c[nH]c2cc(Cl)ccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 745291676 PRHINLUJWKWDMQ-IBGZPJMESA-N 427.932 4.460 10 20 IICD CC(C)[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc(C2CC2)no1 745798758 KMTMYRCCKRQVAX-YJBOKZPZSA-N 449.502 4.214 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746636463 CMCOATHBQDBGKZ-UHFFFAOYSA-N 445.463 4.279 10 20 IICD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 747977896 QXXXWGZVPRPOAJ-IBGZPJMESA-N 438.572 4.100 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1Cl 748091780 JJHMQYYXNUYDOC-UHFFFAOYSA-N 425.919 4.433 10 20 IICD Cc1cc(-c2csc(Cn3ccc(O)nc3=O)n2)c(C)n1-c1ccc(F)c(Cl)c1 749844170 IFWDSXLHYMWHME-UHFFFAOYSA-N 430.892 4.321 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)c(F)cc1F 751126816 FZKDMMGXHQULMP-UHFFFAOYSA-N 433.461 4.039 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c([N+](=O)[O-])n1 751592184 RTGDCGAKIRYIPJ-UHFFFAOYSA-N 435.531 4.033 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CCC(F)(F)F)CC1CC1)c2[N+](=O)[O-] 752480047 PJEOZYPVWQMKID-UHFFFAOYSA-N 446.381 4.175 10 20 IICD CO[C@@H]1Cc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2C1 752945496 VNGQZRRHKAPAAX-OAQYLSRUSA-N 431.483 4.192 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1F 752965570 JDTWSPNCJYEUJP-MRXNPFEDSA-N 425.508 4.206 10 20 IICD COc1cccc([C@H]2C[C@H](C)CN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 753110507 ZBSPETAKOAMOMW-BXKMTCNYSA-N 441.547 4.088 10 20 IICD Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753641084 YHVDVUVVVXCYIB-LBPRGKRZSA-N 448.350 4.497 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)CC2)cc1F 753883722 FSJKUMPSQRFHHR-UHFFFAOYSA-N 432.927 4.442 10 20 IICD COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 753919064 QCFRUHHKOKTVBQ-UHFFFAOYSA-N 433.294 4.297 10 20 IICD CC(C)(COc1ncccc1Br)NC(=O)NCc1ccc(N2CCCC2)cc1 758363582 UNEKTWLICJAAHQ-UHFFFAOYSA-N 447.377 4.101 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1 760091737 CQSDZYBWQQIYLT-UHFFFAOYSA-N 434.540 4.402 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CSCc1cn2cc(C)ccc2n1 761753606 SVTARUWQQNIHQQ-UHFFFAOYSA-N 448.386 4.393 10 20 IICD Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C)n1-c1ccc(C(C)C)cc1 764074970 LSQWSKJLFXIQOP-IBVKSMDESA-N 436.644 4.316 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)n1 765299284 CRMAGBJTSRWZSX-UHFFFAOYSA-N 429.274 4.367 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 765643979 LSKKDNCISQKQED-CQSZACIVSA-N 442.503 4.150 10 20 IICD COc1ccc(N2CCC(NCCS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 765861156 RKBAJTPDCHZLDS-UHFFFAOYSA-N 430.614 4.025 10 20 IICD CSCc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)n1 767686535 BMMOAMFVACCRGJ-UHFFFAOYSA-N 445.516 4.146 10 20 IICD CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccccc2O)cc1 769364457 GPDFWINMXGKLHN-UHFFFAOYSA-N 427.547 4.267 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1 769732741 IZGMRAPCAJAKBD-IBGZPJMESA-N 428.558 4.207 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1 772108558 WOHZNINCBLMSMK-OAQYLSRUSA-N 437.569 4.209 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)CC2)cc1F 772227029 CGDVESIPZRHTDJ-UHFFFAOYSA-N 443.519 4.452 10 20 IICD C[C@@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccc(N2CCOCC2)cc1Cl 772982807 ZJACITVMYOFRHR-GOSISDBHSA-N 427.976 4.150 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(Br)cn1)c1ccc(N)cc1 773654036 IMFJFVAPMPLRHZ-AWEZNQCLSA-N 439.313 4.159 10 20 IICD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cc1ccccc1 773843893 BFWZRELZEVNFBX-GOSISDBHSA-N 431.536 4.168 10 20 IICD COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 775149091 MBMMMQOSVJVVQG-UHFFFAOYSA-N 442.465 4.230 10 20 IICD O=C(Nc1cccc(Br)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896407 MTEHWBOKWIDWRR-UHFFFAOYSA-N 431.330 4.455 10 20 IICD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 784479079 USLGCNMYJRUZBU-OAQYLSRUSA-N 437.540 4.054 10 20 IICD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cs1 788466082 SPXQPVBWMUIBOL-QGZVFWFLSA-N 448.592 4.212 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 793023004 BNESXKDIVALMJP-GOSISDBHSA-N 429.870 4.266 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 799835406 TXPNOSRHRKUCCC-UHFFFAOYSA-N 441.531 4.205 10 20 IICD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 800719342 JOISHPHNAUHUOF-ICSRJNTNSA-N 449.039 4.270 10 20 IICD Cc1csc([C@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C2CC2)n1 803678737 IOMBOUCZYSDBBH-OAQYLSRUSA-N 440.613 4.104 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nccn1C 806349488 FZBOHKHRYOGNFD-KRWDZBQOSA-N 435.311 4.030 10 20 IICD Cc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1Br 807513265 WWQAZBBTXOIGBI-UHFFFAOYSA-N 432.101 4.025 10 20 IICD Cc1cc(F)ccc1C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 813589543 BXZAYUMZECOQDW-UHFFFAOYSA-N 429.511 4.199 10 20 IICD COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2OC)cc1 814284397 FTSNWTHUBAUJFC-UNOMPAQXSA-N 441.530 4.287 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C(F)(F)F)c1 916682037 CIEYXEQSXXKNCN-UHFFFAOYSA-N 437.462 4.244 10 20 IICD Fc1cc(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)ccc1N1CCOCC1 917580506 MFKPEPCOOZGAOH-UHFFFAOYSA-N 429.439 4.048 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3SC(F)F)cc2)C1 918030162 TYXDVSNRUVDIAV-HNNXBMFYSA-N 434.512 4.025 10 20 IICD C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)CN(C)C(=O)OC(C)(C)C 1318425337 JEXWFMOZZOITPX-KRWDZBQOSA-N 431.533 4.200 10 20 IICD Cc1c(CNC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)n(C)c2ccccc12 467936298 XLYZDAOIDMZACL-UHFFFAOYSA-N 434.540 4.059 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 726568249 ZGMNEJVRPQTVRV-UHFFFAOYSA-N 431.395 4.341 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(OCC(F)(F)F)cc1 727247334 ZYUPDDKZUWHKES-UHFFFAOYSA-N 442.440 4.444 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730771085 ACHJWXTWDPXGBV-UHFFFAOYSA-N 434.561 4.191 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](COc1ccccc1)c1ccccc1 730900654 BAPIMZRFAYMDCS-XMMPIXPASA-N 449.526 4.282 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1F 731404918 HYZZNRBIBFWYST-HXUWFJFHSA-N 440.523 4.313 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F 731405205 XPORVEZFSTYFOA-FQEVSTJZSA-N 429.536 4.268 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1-c1cccc2cccnc12 731476928 QLOWWVXPPZIQSZ-UHFFFAOYSA-N 440.551 4.290 10 20 IICD CCN(Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(OC)c(OC)c1 731480812 YTZWGVAQWXWFKA-UHFFFAOYSA-N 432.318 4.467 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 731482574 MEBHAOBYZOYBEQ-UHFFFAOYSA-N 443.613 4.028 10 20 IICD COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CCC(=O)N2C)cc1 734433973 PKFFYMXYVXJEPQ-AHWVRZQESA-N 449.595 4.157 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cnn(-c4ccccc4Cl)c3)CC2)cc1 741397486 DMFZYLZESHMGLP-UHFFFAOYSA-N 425.920 4.325 10 20 IICD C[C@H](c1ccccn1)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 743655527 STDOXXABEGDEQF-CPZHOGDASA-N 431.608 4.344 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C 743873625 OYVWRAGMBJUUKN-AWEZNQCLSA-N 449.345 4.099 10 20 IICD COc1ccc(Oc2cc(CNC(=O)NCc3c(O)ccc4c3CCCC4)ccn2)cc1 745474857 GXKRFUYTAMLAGL-UHFFFAOYSA-N 433.508 4.466 10 20 IICD COc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1 745906062 VNBWZCFKAWTXAG-KRWDZBQOSA-N 449.498 4.116 10 20 IICD Cc1cccc(CN(CC(C)C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 746946951 RKBPAFPFJVXKNY-UHFFFAOYSA-N 427.564 4.463 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)cc1 747419144 IZVRGPDKBUJWIS-IBGZPJMESA-N 437.462 4.166 10 20 IICD Cc1nnc(-c2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)o1 747572406 VMXQUZGPZRXSLF-QGZVFWFLSA-N 443.454 4.437 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)c(C)s3)ccc21 748722663 ROXIZWDKZREWBK-UHFFFAOYSA-N 427.551 4.137 10 20 IICD COC(=O)[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1O)c1cccc(Br)c1 750045541 TVWALWRZNJIWRF-IBGZPJMESA-N 440.721 4.189 10 20 IICD CC(C)[C@@H](CNC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1 751930976 LRWBGKCWFIXBLW-HXUWFJFHSA-N 437.565 4.029 10 20 IICD Cc1ccc(Cn2cccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2=O)cc1 754467387 FULUSMHTOONKTA-UHFFFAOYSA-N 430.552 4.468 10 20 IICD COCCN(Cc1cc(Br)cs1)C(=O)NCc1ccc(N(C)C)cc1C 755722473 RZIGXOVCNNTVHV-UHFFFAOYSA-N 440.407 4.243 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ncc(Br)s3)cc2F)CC1 756925714 IDNSKJJADJCDFE-CYBMUJFWSA-N 427.387 4.037 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)OC)cc3)SC2=S)c1 758416936 UEOQYCPMIHIRML-BXUJETTOSA-N 443.546 4.431 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C[C@@H](c2ccsc2)O1 759727549 OLYRNANTMVDABY-FSNCLGKMSA-N 447.576 4.172 10 20 IICD C[C@H](NC(=O)N[C@H](C)Cc1ccccc1Br)c1ccc(N2CCOCC2)cc1 759730966 JLJHLZWOLXGWFR-SJORKVTESA-N 446.389 4.277 10 20 IICD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 760067735 VTMZHFKRTLMFKU-UHFFFAOYSA-N 434.533 4.443 10 20 IICD COc1cc(Cl)cc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1O 761191373 QQPVNCWVQYIKLU-UHFFFAOYSA-N 428.838 4.031 10 20 IICD Cc1cnc(C2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)s1 763196299 SIZLCIGZFZTFAN-HOTGVXAUSA-N 446.592 4.293 10 20 IICD CCc1ncc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)s1 763504255 UNZHANIHXQULQE-UHFFFAOYSA-N 430.374 4.392 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1Cl 764926173 IZGBUEDIUSENEA-KRWDZBQOSA-N 445.966 4.271 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 765117475 FWYWKXWYJPXSML-SFHVURJKSA-N 446.588 4.229 10 20 IICD C[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCCCC2)c(F)c1 765659951 PGDLSWXTRYMWAY-MSOLQXFVSA-N 433.593 4.478 10 20 IICD C[C@@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 766191751 OVAULTVSKDGGBM-LJQANCHMSA-N 426.580 4.048 10 20 IICD Oc1c(Br)cc(Br)cc1CNC1(c2ccc3c(c2)OCO3)CC1 776251260 SWBCDSCTVABBIW-UHFFFAOYSA-N 441.119 4.425 10 20 IICD O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 778411371 RCZBCHFRAWABFJ-POYVLVGLSA-N 448.635 4.090 10 20 IICD Brc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)cc1 779023681 VSACOLJRCHGJMG-YADHBBJMSA-N 431.374 4.296 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(C)c2O)cc1OCC(=O)NC1CC1 779041655 ZHQVPPVEVZRSHH-CYBMUJFWSA-N 449.345 4.302 10 20 IICD CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895582 GNDMZLUQXXYNLA-SFHVURJKSA-N 426.561 4.496 10 20 IICD CCN(CC)C(=O)CCC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 783593931 NXYNKGIQFALGKK-UHFFFAOYSA-N 430.593 4.446 10 20 IICD Cc1nccc(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)n1 784106279 JNYGELKJSNQWCR-UHFFFAOYSA-N 429.524 4.196 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C4CC4)nc4ccc(C)cc34)cc2)CC1 786262220 KDDRVAKPAFXLEH-UHFFFAOYSA-N 442.563 4.019 10 20 IICD COc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)ccc1Cl 791025296 QRGNUNYQEYYKSM-UHFFFAOYSA-N 436.807 4.285 10 20 IICD CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cccc(Br)c2O)cn1 792185228 CUBHZMNZYMNIQD-FQEVSTJZSA-N 430.346 4.107 10 20 IICD CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2 792317013 JTLFONFGNYBADL-NRFANRHFSA-N 430.512 4.492 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)c1 796789917 JTKRQBZTNBCPJH-ZDUSSCGKSA-N 428.872 4.439 10 20 IICD Cc1ccc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)cc1OCC(F)F 797742715 MIBWWIADPOFMPI-UHFFFAOYSA-N 428.819 4.117 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl 798941098 WRTULUVOZJCMKW-UZUQRXQVSA-N 443.975 4.268 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccccn4)no3)cc2Cl)C1 800048679 HPRPGNWHAXIVLM-MRXNPFEDSA-N 439.947 4.270 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 800848554 ZVYFYNSOECFYBC-IAGOWNOFSA-N 440.494 4.003 10 20 IICD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)[C@H]2C1 808300533 PWEGHNFFBUKLFA-CJFIXGCPSA-N 447.023 4.023 10 20 IICD CCOCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1 812212763 ZRJAGTXMRRDBGK-GJZGRUSLSA-N 435.956 4.056 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 813019679 KQWWOPFSKREFIS-UHFFFAOYSA-N 427.501 4.186 10 20 IICD CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822025312 TXWUKQVZWUSVDG-UHFFFAOYSA-N 434.835 4.296 10 20 IICD Cc1cc(O)c([C@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)cc1Cl 877856454 SKJVBOZTCFBLAR-IBGZPJMESA-N 431.920 4.445 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccc(F)cc1 914084208 XYBUMXVPDTYJOO-LGMDPLHJSA-N 434.583 4.228 10 20 IICD CCCCCNC(=O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 916221535 YWQSSYOUAZAVJN-UHFFFAOYSA-N 438.616 4.365 10 20 IICD Cc1cc(N2CCCC2)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916670668 CVJHOWBVZAHCED-UHFFFAOYSA-N 426.536 4.017 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 916673404 ORVDJBOOCFHATQ-UHFFFAOYSA-N 445.567 4.280 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(Cl)c1-n1cccn1 916687833 LILZISSOMRHLHX-UHFFFAOYSA-N 427.961 4.401 10 20 IICD CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917668175 RUNJTILNUNAEKK-CQSZACIVSA-N 446.463 4.426 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3sccc3Br)cc2F)C[C@@H](C)O1 917710237 BXGUCSMDIHTOGF-VXGBXAGGSA-N 427.339 4.193 10 20 IICD Cc1cccc(OC[C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 919781256 GOHMEJWHJOJYLM-QRVBRYPASA-N 429.536 4.014 10 20 IICD COC(=O)N(C)c1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 920261997 RPLWBMCHOPLBSF-UHFFFAOYSA-N 438.455 4.476 10 20 IICD COc1cc(Br)cc(C)c1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920941187 QDUIZPYNMZUHLC-OAHLLOKOSA-N 448.361 4.485 10 20 IICD O=C1/C(=C\c2cc(Br)c3c(c2)OCCCO3)SC(=S)N1c1cccnc1 921259141 IUVSJLJPZYZPSA-OQLLNIDSSA-N 449.351 4.411 10 20 IICD Cc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccc1NC(=O)C1=S=CC=C1 536297752 PDDSSLOOELUXRI-UHFFFAOYSA-N 436.924 4.303 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)c1 728983947 HZUZVZSLCHCQMS-OLZOCXBDSA-N 441.553 4.046 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(Cc3ccccc3F)CC2)c1 732190118 IAFNHRLGGPPAMM-UHFFFAOYSA-N 440.559 4.021 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)s1 734066280 QUNWYNVZCJOOIF-INIZCTEOSA-N 425.957 4.452 10 20 IICD COc1cccc(CNC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1O 734213013 LTCMJNSIWYHJDT-UHFFFAOYSA-N 427.501 4.016 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 734404456 GIJBZGOLKJKQNP-KRWDZBQOSA-N 433.512 4.467 10 20 IICD COC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 735754421 OFICWIWMOWDVEY-ZIAGYGMSSA-N 449.910 4.201 10 20 IICD Cc1oc2c(CN3CC[S@](=O)[C@@H](C)[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1Cl 736601894 YWHGNUMOKMHQBK-YINQUODUSA-N 445.968 4.469 10 20 IICD COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)c1 739926181 JAOXUIOIZLNYPY-INIZCTEOSA-N 442.487 4.329 10 20 IICD COc1ccccc1[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1nccn1C 745400611 MWKPAOXYPKHKIV-QHCPKHFHSA-N 435.572 4.204 10 20 IICD CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746949881 AJOITDYMADWETA-QLBJFCOMSA-N 448.611 4.256 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)c1C 749459733 GWPARFPRFWDIGK-UHFFFAOYSA-N 436.644 4.076 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1F 749569944 WPKWAZZPJBKCPD-UHFFFAOYSA-N 426.580 4.478 10 20 IICD Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(F)(F)F 751136243 GWYMNFVIDALXDY-INIZCTEOSA-N 429.460 4.089 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(Br)ccc2n1 751359514 VWYMEMSKJSSJGG-UHFFFAOYSA-N 440.341 4.072 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O 753539752 TVIIWXPVHHECFQ-UHFFFAOYSA-N 447.535 4.390 10 20 IICD C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(Br)cc(Br)c1O 756460729 SUUWJUWCILZTDI-JVZDSHEPSA-N 427.136 4.226 10 20 IICD C[C@H](NCCCN1C(=O)COc2ccccc21)c1cc(Br)cc(Cl)c1O 756733487 PSSNPEKFZNAGHZ-LBPRGKRZSA-N 439.737 4.274 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)cc(OC)c1OC 759238751 PVGONWZGGQJTAO-UHFFFAOYSA-N 442.531 4.012 10 20 IICD COc1cc(N2CCN(Cc3c(Cl)ccc4cccnc34)CC2)cc(OC)c1OC 759873731 ZXUJVICNJZPEDL-UHFFFAOYSA-N 427.932 4.236 10 20 IICD CCCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 760336233 UJHZLFFVRAOXMK-UHFFFAOYSA-N 426.542 4.166 10 20 IICD Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)n1 767675933 PISFEVKPNJFUSE-OAHLLOKOSA-N 448.541 4.474 10 20 IICD COc1ccc(C(=O)Nc2cccc(CN(C)Cc3ccc(N4CCOCC4)cc3)c2)cc1 768208437 PLVKWIOICICHBC-UHFFFAOYSA-N 445.563 4.416 10 20 IICD C[C@H]1CN(c2ccnc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2)C[C@@H](C)O1 770824799 SUPNCOTWFAVJJE-BGYRXZFFSA-N 448.567 4.197 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc(N2CCOCC2)cc1 773241991 CTOOWKRUWIJAGP-ZHRRBRCNSA-N 447.938 4.160 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3ccc4ccccc4c3)cc2)C1 775666488 ZCVIHXJJXFCPEX-XMMPIXPASA-N 429.564 4.181 10 20 IICD COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)c1 776154873 DXCAZOHWXDEWET-CQSZACIVSA-N 437.353 4.409 10 20 IICD COc1ccc(C(=O)N2CCCC2)cc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 777659158 MNDCAXMONSCQFZ-KRWDZBQOSA-N 427.520 4.080 10 20 IICD CCOC(=O)N1CCC([C@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 779673082 JELJMNCRUBSXOC-SFHVURJKSA-N 431.577 4.494 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)C2CCCCC2)cc1 784062995 YREJKGVDDOYLDT-UHFFFAOYSA-N 448.567 4.246 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccnn1-c1cc(C)ccn1 788299986 OXXCBZZJIUFGFT-UHFFFAOYSA-N 430.306 4.098 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)C2CC2)cc1 789264492 IDSQFLSSNRKKCN-UHFFFAOYSA-N 433.560 4.222 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1O 793372579 WPBKKZGAXPFMQB-CYBMUJFWSA-N 425.190 4.449 10 20 IICD O=C(NCCc1ccc2[nH]ccc2c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 799570027 DTERATWFNNWOJJ-UHFFFAOYSA-N 428.483 4.280 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 799938149 BIFUOEXOFWSEQY-LRFYVWAASA-N 440.053 4.455 10 20 IICD CC(C)(C)CCOc1cnccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 807610726 GZWFAYQPSRLRND-NRFANRHFSA-N 441.572 4.493 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 808237292 JUJPLZTWTBANNQ-NRFANRHFSA-N 449.473 4.469 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc[nH]4)n3Cc3ccccc3)CC2)cc1 812045095 GPJUTVNBFCQIIT-UHFFFAOYSA-N 428.540 4.047 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 813591175 UAAHYKJQRXDKEM-IBGZPJMESA-N 449.979 4.392 10 20 IICD CC(C)[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)N1CCOCC1 814771997 LFHDSZOUIZHOSB-UWKDKTGGSA-N 446.619 4.488 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1 824017199 GELUBONRFQCNFS-ZDLGFXPLSA-N 426.498 4.211 10 20 IICD O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 917171072 DJWBWWOCHQEMPF-UHFFFAOYSA-N 447.721 4.318 10 20 IICD CCN(CC)c1ccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 918113041 SDZIZJDFVFMYBO-UHFFFAOYSA-N 429.973 4.447 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(C2SCCCS2)cc1 919840661 VNTFFDIOCMJOHH-UHFFFAOYSA-N 448.635 4.042 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)ccc1Br 919969542 PWRWSIMNMKHUSA-UHFFFAOYSA-N 441.728 4.133 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 921267302 UEGWDNIXMFQKRY-UHFFFAOYSA-N 427.432 4.001 10 20 IICD CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740642 SVYJDLDVRGHEKZ-IBGZPJMESA-N 436.980 4.421 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 97576294 PEARDSWDUPPURJ-QFIPXVFZSA-N 436.552 4.432 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SC[C@H](O)Cn1cccn1 726071002 DOLIIFJMMAVLCW-QGZVFWFLSA-N 435.391 4.318 10 20 IICD O=C(COc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567585 QYPUPBZHPOXEJH-UHFFFAOYSA-N 444.400 4.471 10 20 IICD COc1ccc(C(=O)CCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726567911 VWCHUVDLHCFRCP-UHFFFAOYSA-N 446.494 4.435 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1F 726801855 NOKMGQVMNWBEGZ-UNOMPAQXSA-N 431.510 4.049 10 20 IICD CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 727799253 NUWZODNEJJQWPW-MRXNPFEDSA-N 428.444 4.121 10 20 IICD O=C1/C(=C/c2ccccc2OCc2ccncc2)SC(=S)N1CCc1cccnc1 727864470 WSIZGBNVKYMDOC-STZFKDTASA-N 433.558 4.500 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c(C)n1-c1cccc(C(C)C)c1 728548449 DMCCBTLEUINHAF-UHFFFAOYSA-N 446.551 4.075 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 728837377 RHBNDVLZDGOQCJ-UHFFFAOYSA-N 449.473 4.071 10 20 IICD COc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 730823456 LEFOPOOYALOOHA-GJZGRUSLSA-N 435.927 4.101 10 20 IICD CC(C)S(=O)(=O)Cc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 732881829 RXHQNHOLHJOBSL-UHFFFAOYSA-N 429.586 4.272 10 20 IICD Cc1cc(C(=O)NCCCOC[C@@H]2CCCO2)c(C)n1-c1ccccc1Br 733156406 KSUMJOFWJGZMMH-KRWDZBQOSA-N 435.362 4.172 10 20 IICD O=C(Nc1ccc(-c2cc[nH]n2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 741068597 RGEVSWNLWDUWAO-UHFFFAOYSA-N 427.455 4.469 10 20 IICD O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1Cl 742333957 BABKZJNQUFZGGM-ZDUSSCGKSA-N 434.867 4.028 10 20 IICD CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 749350067 CBKUDJXOWJROAF-SIKLNZKXSA-N 427.976 4.098 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 749702210 GVKLDQSVQQMSBI-OAQYLSRUSA-N 441.491 4.242 10 20 IICD Cc1cc(C(=O)CSc2ncc(CO)n2C)c(C)n1-c1ccc(Br)cc1 750005721 XHFXDQBDRHUPFJ-UHFFFAOYSA-N 434.359 4.057 10 20 IICD C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751932359 ZCVXXQQBHGYMSW-HNNXBMFYSA-N 449.532 4.439 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(F)cc1C(=O)OC 752715239 SBDMXLPKIVRBLR-UHFFFAOYSA-N 425.254 4.134 10 20 IICD CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 752716889 RXTYVKAAUCSWCU-UHFFFAOYSA-N 429.536 4.424 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCC[C@@H](c2ccccc2)C1 753383590 PLNHOJRWIYHWLT-RTWAWAEBSA-N 425.548 4.312 10 20 IICD CC[C@@H](N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1c(C)noc1C 754546551 UEPHMNNXAJPFKM-AUUYWEPGSA-N 431.492 4.135 10 20 IICD COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 754551764 LCXHTBSSTILIMJ-UHFFFAOYSA-N 436.261 4.485 10 20 IICD CCn1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1-c1ccccc1 756659046 PRQCZPCWVUYQMW-QZTJIDSGSA-N 436.531 4.253 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2ccc(Cl)cc2C1 762286182 PXLIEDVYNLLTDJ-UHFFFAOYSA-N 448.953 4.106 10 20 IICD CN1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 762585934 CRJRRIXBRXTTMG-XXBNENTESA-N 442.966 4.348 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(C(=O)N2CCCCCC2)cc1 765254442 ZTKNQZDGDWFWQD-UHFFFAOYSA-N 446.345 4.493 10 20 IICD CC1CCN(c2cccc(NS(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)c2)CC1 767691020 RNXIHBVIAUVIGW-GOSISDBHSA-N 448.560 4.278 10 20 IICD COc1cc(O)c(CN2CCN([C@H](C)c3ccc(Br)cc3)CC2)cc1OC 768464942 CPAINBPJHDFJLV-OAHLLOKOSA-N 435.362 4.051 10 20 IICD Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 769968351 OISDYBSGRPFDKT-KRWDZBQOSA-N 426.467 4.181 10 20 IICD Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NCc3cc4c(cc3O)OCO4)cc2Cl)n1 770538993 BFEBLWKSRXAWFM-CQSZACIVSA-N 442.903 4.399 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@@]2(C1)OCc1ccccc12 771317705 VUFHVHQWPMURSI-DEOSSOPVSA-N 443.494 4.098 10 20 IICD CN(C)c1ccc([C@@H](CNCc2occc2Br)NC(=O)OC(C)(C)C)cc1 773408867 JTYAJEZMGXMFKN-QGZVFWFLSA-N 438.366 4.464 10 20 IICD COC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(OC)c1 782079919 PUXKGSOBZPJVLD-UHFFFAOYSA-N 437.496 4.375 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc1F 782790682 CWZGDOUITHDOGK-UHFFFAOYSA-N 444.526 4.056 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 785193974 HXEPBOJPBYYXMD-UHFFFAOYSA-N 445.235 4.161 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1c(F)cc(Cl)cc1F 785198685 YQNMPTMERWMVAE-UHFFFAOYSA-N 447.663 4.074 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(CCO)Cc2ccc(Br)s2)cc1 790229317 ZBLNPONINRBAOG-UHFFFAOYSA-N 440.407 4.061 10 20 IICD CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)cc1 793674451 JGGLYLRYVKCBMT-UHFFFAOYSA-N 440.927 4.261 10 20 IICD Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCc3cccc(Br)c3O)c2)o1 797354135 ZRJDHOAGCKZYDI-UHFFFAOYSA-N 443.297 4.286 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C[C@H]4CCCO4)CC3)cc2Cl)C1 799994620 SLXLUYPSFNYITM-GHTZIAJQSA-N 449.039 4.019 10 20 IICD COCCCOC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 799995595 PFBIACNDJNQPEY-GOSISDBHSA-N 438.012 4.303 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc21 800047945 USSVGTWGLQMYGA-UHFFFAOYSA-N 427.865 4.042 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 802610275 YBAGUOSRWFGXFJ-UHFFFAOYSA-N 440.931 4.307 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806755256 NNYWKXRTELUUHQ-UHFFFAOYSA-N 428.920 4.325 10 20 IICD CC1(C)CCCc2sc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)nc21 810350600 UNBFLXNIPFVCIN-UHFFFAOYSA-N 439.537 4.223 10 20 IICD CCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC(C)(C)C1 812066805 GWWMIRRSWCDRHU-WMZOPIPTSA-N 425.520 4.246 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3Br)cc2F)C[C@H](C)O1 814326869 DKYFXNICMLCPNB-STQMWFEESA-N 439.300 4.271 10 20 IICD O=C1N=C(SCc2nnnn2CC(F)(F)F)S/C1=C/c1csc2ccccc12 814772561 XHKIEOHISJOBMY-LFYBBSHMSA-N 441.485 4.354 10 20 IICD O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 819427545 OUXHMWPUKZMMQO-OAHLLOKOSA-N 449.878 4.434 10 20 IICD COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918217516 FOYYNVCATHKOBJ-QHCPKHFHSA-N 441.547 4.498 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1COCc1ccccc1 918304699 UMISGWRXEJQIRT-UHFFFAOYSA-N 445.563 4.457 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 919655608 SUQVWQXXBMEJCJ-DEOSSOPVSA-N 438.547 4.499 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 919861237 FNYXYVZSWQCNHQ-UHFFFAOYSA-N 445.560 4.243 10 20 IICD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 920319863 IWFSIQCOMLERQT-UHFFFAOYSA-N 449.473 4.300 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1)C1CCCCC1 1115908063 WWSBAQBVEMDLPL-JOCHJYFZSA-N 448.611 4.087 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)n2)cc1 1116140269 BJGUWMJXMNQYER-UHFFFAOYSA-N 433.530 4.003 10 20 IICD Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795030638 OZRQGPVDWUITTP-VILGAWFOSA-N 442.563 4.363 10 20 IICD O=C(/C=C/C1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718069 AGWNHWMSCMGJHM-RGKVLUKRSA-N 432.948 4.140 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccccc4C)c4c3CCC4)CC2)cc1 109184116 JOSMQCBNVCBPGB-UHFFFAOYSA-N 430.552 4.031 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)c2C)cc1 109786630 JQKTZSFDQCOCSH-UHFFFAOYSA-N 441.572 4.480 10 20 IICD O=C(Nc1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc1)C1=S=CC=C1 546331717 GKCIYWNZVPWIQC-UHFFFAOYSA-N 441.472 4.202 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)c1 726625393 HFVAJZDWZQZLNX-QDBSGRMGSA-N 443.546 4.442 10 20 IICD O=C1/C(=C/c2cccc3cccnc23)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801752 MPEPLHUKUVMMRM-ZHZULCJRSA-N 434.542 4.450 10 20 IICD COc1ccccc1CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccs1 727238495 YJQAUSGRTZQHRI-UHFFFAOYSA-N 437.609 4.484 10 20 IICD O=C(CCc1ccccc1OC(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 727483883 SWGALGSXWPSXEC-UHFFFAOYSA-N 436.474 4.043 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1F 727948046 RXFSVYWFGXSQEN-UHFFFAOYSA-N 425.435 4.078 10 20 IICD Cc1ccccc1OCCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 729496717 LWZZMSBOHKKJGX-OALUTQOASA-N 429.536 4.016 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)CC2(O)CCCC2)sc(C)c1-c1ccccc1 735956627 MZHMCRSQRRYFLD-UHFFFAOYSA-N 445.537 4.077 10 20 IICD CCC[C@H]1SCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 736093216 NDVIUIXXKDTRLQ-WCRPCQDQSA-N 426.654 4.431 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1 737117052 HMVCPQLLSKRFBF-UHFFFAOYSA-N 448.445 4.290 10 20 IICD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(N2CCCCC2)cc1 742476083 JMLBWPFFBMNSBF-UHFFFAOYSA-N 425.532 4.461 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 742805102 GNYQTVOMSFNRBL-CYBMUJFWSA-N 430.411 4.076 10 20 IICD Cc1c(Br)cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1[N+](=O)[O-] 743248399 BRDIVPROIXHWQE-UHFFFAOYSA-N 444.288 4.183 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(Cn2cccn2)cc1 745556741 ANAVWPQGEMGRPV-UHFFFAOYSA-N 443.345 4.131 10 20 IICD Cc1cccc([C@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 745692259 TVNXEDAOHWUBAA-RCZVLFRGSA-N 448.611 4.442 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1C 746361797 JBWBKGJSSSNADU-WOJGMQOQSA-N 443.546 4.270 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1 746786971 OELHNRXCEWJFFC-UHFFFAOYSA-N 447.539 4.024 10 20 IICD Cc1cc(C(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)c(C)n1-c1ccccn1 747418584 WUERFPIMUVOLLU-QGZVFWFLSA-N 447.457 4.020 10 20 IICD C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(N2CCOCC2)cc1 751369872 TVDJVJIVWTXECK-QGZVFWFLSA-N 434.540 4.185 10 20 IICD CCOc1ccc(OCC)c(N2C(=O)/C(=C\c3c[nH]c(C(=O)OC)c3)SC2=S)c1 753139466 UXIOAMCGSJMRGD-RQZCQDPDSA-N 432.523 4.005 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)c(Br)c3)c2)CC1 753165865 QSGWWZFTQKAGTO-UHFFFAOYSA-N 436.737 4.057 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)c2C)cc1 753706698 JBOYIXHRFYQPLF-KNQAVFIVSA-N 440.565 4.129 10 20 IICD Cc1cc(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1-c1nccs1 754654550 GWSLHLGBJMFHIL-LJQANCHMSA-N 425.554 4.120 10 20 IICD COCCn1cc2c(n1)[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)CCC2 760157604 DKILGCMNHHZJRY-NRFANRHFSA-N 426.561 4.157 10 20 IICD COc1cccc(C=C2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 760744885 JUDPTPFDWVQMSY-HXUWFJFHSA-N 435.568 4.482 10 20 IICD C[C@@H](c1ccccc1)N1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 761260000 ZAOCDNSQJZJOFF-INIZCTEOSA-N 427.932 4.035 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1(c2cccc(F)c2)CCOCC1 761752134 QNQHTYSBRUJLSG-UHFFFAOYSA-N 436.321 4.391 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 762991066 UQCPBLQBSPWHFI-ZDUSSCGKSA-N 430.411 4.076 10 20 IICD COc1cccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)c1 764571829 KVEDJMUZGNYXBX-CLOONOSVSA-N 427.564 4.159 10 20 IICD CCN(CC)CCOc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765280308 ASYNFDSCJJGWKA-UHFFFAOYSA-N 436.350 4.197 10 20 IICD C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CCN(C(=O)OC(C)(C)C)CC1 765714074 CEJIXYWLIQULJB-KRWDZBQOSA-N 431.577 4.151 10 20 IICD CCSc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 769906106 DPWXQMGXTFIFEF-UHFFFAOYSA-N 437.588 4.344 10 20 IICD C[C@@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 773097099 YTDWLHSKOKJSQP-LJQANCHMSA-N 428.548 4.209 10 20 IICD Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773740575 QZXBFVBDNFVRSB-CYBMUJFWSA-N 431.945 4.085 10 20 IICD COc1c([N+](=O)[O-])ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1O 775079844 IRDVBIZPXJPYIB-MRXNPFEDSA-N 425.254 4.452 10 20 IICD CC[C@@H](C)n1nc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C 776028210 NFOFVLKPSSDSMX-CQSZACIVSA-N 439.482 4.340 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 780275336 UOZIWXZZWPXHDS-BWKNWUBXSA-N 427.589 4.282 10 20 IICD C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 780276100 CJQMMRSTLUQGQH-RYUDHWBXSA-N 446.381 4.173 10 20 IICD CSCc1cccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 782558087 KAPCXVCACNFITD-IAGOWNOFSA-N 431.577 4.302 10 20 IICD CCOC(=O)Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783482788 KQDDFLNBWARKID-GOSISDBHSA-N 445.519 4.107 10 20 IICD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 792880119 WAOAQEJZFLIFFP-UHFFFAOYSA-N 439.556 4.451 10 20 IICD CN(C)c1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1 792942144 XPQIKFHCNZARGI-UHFFFAOYSA-N 443.535 4.138 10 20 IICD COc1ccc(CN(CCc2ccccn2)C(=O)NCc2ccc(N(C)C)cc2C)cc1 793024573 KSYKRRKZBNOJIX-UHFFFAOYSA-N 432.568 4.419 10 20 IICD CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccc(OC)cc3O)cc2)cc1 797610241 MJVCGFZLVJEQIW-UHFFFAOYSA-N 435.480 4.374 10 20 IICD O=[N+]([O-])c1cnc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)s1 799926825 HUKOUSVUPFDWLB-LLVKDONJSA-N 428.499 4.121 10 20 IICD CCCCN(Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)Cc1ccccc1O 801599585 VJDHHHUUQBYJPU-UHFFFAOYSA-N 444.601 4.101 10 20 IICD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513314 KOTRZTSSUOXUOE-UHFFFAOYSA-N 425.312 4.260 10 20 IICD CCOC(=O)Nc1scnc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 808700028 HQYADGOAYDEFHU-UHFFFAOYSA-N 445.472 4.298 10 20 IICD O=S1(=O)CCCN1c1ccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)cc1 815615906 AMWDDKGWRSLQEH-DEOSSOPVSA-N 436.577 4.396 10 20 IICD CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 818784077 UQVFJZKVJHFWGE-UHFFFAOYSA-N 443.550 4.239 10 20 IICD Cn1ccnc1SCc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)o1 820006218 OAZHZURRSFFPNO-UHFFFAOYSA-N 430.493 4.267 10 20 IICD COc1ccccc1CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914438145 NCFDHMRUAROWSQ-JXAWBTAJSA-N 446.619 4.097 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CN(C)C(=O)c3cccs3)c2C)cc1F 914960496 KOSVWUFDUORMHI-UHFFFAOYSA-N 442.512 4.101 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1OC 916110577 VKMQKJIFVMNJJF-UHFFFAOYSA-N 432.479 4.481 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)nc1 916691162 LRDKJGGKKUVVQG-UHFFFAOYSA-N 432.524 4.161 10 20 IICD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C1 917697709 KOGAPURFBFTUOP-OALUTQOASA-N 441.597 4.206 10 20 IICD Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1 918011193 QWKJVNMZBUPVFH-UHFFFAOYSA-N 437.927 4.472 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccc(Cl)cc1)C1CC1 918221519 WEGOBLYZASGVNA-UHFFFAOYSA-N 431.939 4.314 10 20 IICD Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)cs1 918401709 PCGMTHSVRQDISI-UHFFFAOYSA-N 448.552 4.150 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3[nH]c4ccc(C)cc4c3Cl)CC2)cc1 1317907702 YNCIRCYXLQXHMW-UHFFFAOYSA-N 440.975 4.080 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2)C1 1323060792 IQYBEUZRALWABY-IBGZPJMESA-N 427.504 4.218 10 20 IICD CCOc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1OCc1cccnc1 437005258 CFGHNJANUBUMDD-UHFFFAOYSA-N 433.508 4.165 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OCC(F)(F)F)cc3)cc2)CC1 731131232 HOXWSLURLHPOIY-UHFFFAOYSA-N 449.473 4.119 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc21 734135139 JTXVXFNFPNIILK-LJQANCHMSA-N 429.561 4.034 10 20 IICD Cc1ccccc1COc1c(C)cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1C 734832042 CFIPYKHGQJEZBK-ZDLGFXPLSA-N 427.547 4.477 10 20 IICD Fc1cc(Br)ccc1CCCNCc1ccc(N2CCOCC2)c(F)c1 734849724 JFVYXKMUMZRAFJ-UHFFFAOYSA-N 425.317 4.286 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 736003880 GHZSHNGHEKKKOG-UHFFFAOYSA-N 443.809 4.034 10 20 IICD COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N(C)C)c(F)c1 741183845 FQUDNACCLWSELL-QGZVFWFLSA-N 437.353 4.166 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccncc2F)c(C)n1-c1cccc(Br)c1 741375594 DRFRAAKZEGPKFH-UHFFFAOYSA-N 431.261 4.430 10 20 IICD O=C(NCc1ccccc1N1CCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745767065 KDIUQRWVMLHERW-IBGZPJMESA-N 444.526 4.356 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C(F)F)c2C)cc1 746079436 HNXWMCQXCJNDPI-UHFFFAOYSA-N 446.406 4.154 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 746149223 ZRQOODUHEBVDSW-UHFFFAOYSA-N 445.445 4.049 10 20 IICD COc1cc(OC)c(C2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)c(OC)c1 746979895 XYNMOWHIRONVHM-UHFFFAOYSA-N 445.535 4.007 10 20 IICD CC(C)(C)OC(=O)N1CCC(NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 749128814 PVJFFADLBQDQAO-UHFFFAOYSA-N 425.520 4.246 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3C3CC3)SC2=S)c1 750816982 GYXQOGBAQHGCOK-UNOMPAQXSA-N 444.603 4.220 10 20 IICD COC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCCCO2)C1 752842277 ARQUBVDLTGLDSU-GGAORHGYSA-N 449.599 4.394 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3CSC3=NCCS3)CC2)cc1F 753741204 DFFHMPBJUIDNKK-UHFFFAOYSA-N 445.585 4.133 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3cc(F)ccc3O)c2)cc1 756584331 SGQDPZMWAVJKMQ-OAHLLOKOSA-N 430.501 4.192 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)nc3C)CC2)cc(OC)c1OC 759222937 ZILMNDOHQHBFGL-UHFFFAOYSA-N 447.535 4.045 10 20 IICD C[C@@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O 761357730 DRRFHTAPWRCBNY-INIZCTEOSA-N 440.341 4.351 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 761799487 PSSLPXQAWUSRSS-CYBMUJFWSA-N 445.317 4.497 10 20 IICD O=C(NCCCSc1nccs1)Nc1cccc(C(=O)NCc2ccccc2)c1 762975906 FPZDUOYTBJKZSM-UHFFFAOYSA-N 426.567 4.377 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)c(Cl)c1 763427683 KZASRJHKOJPLIF-UHFFFAOYSA-N 441.728 4.133 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)cc1C 764523531 DIRBPCVTKXWBFY-UHFFFAOYSA-N 439.566 4.425 10 20 IICD C[C@@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1Cl 765503127 OCJMFWIHDNGBEQ-JLTOFOAXSA-N 444.881 4.459 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncoc1-c1ccc(F)cc1 769868025 DYAFFHMHZGEVLS-UHFFFAOYSA-N 449.404 4.266 10 20 IICD C[S@@](=O)c1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 770883021 RKPNMVQSIILKLR-JGCGQSQUSA-N 447.604 4.041 10 20 IICD C[C@@H](CC(=O)c1ccco1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 771565991 RZCQJIFGVWEZKD-IGWPVBGESA-N 448.591 4.100 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 773588512 MKUSULDGQCNNFF-KKSFZXQISA-N 444.373 4.401 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)c1O 774926047 FMHWVASPAHJLEU-UHFFFAOYSA-N 447.289 4.123 10 20 IICD CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(Cl)c(Cl)c1O 775496699 JFQJLHHYVAFNSS-MRXNPFEDSA-N 441.355 4.416 10 20 IICD O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 775782329 WXHUEJRXSQORQA-HNNXBMFYSA-N 443.393 4.416 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1-c1ccc(OC(F)F)cc1 778078847 WBWMQJHBKMVRSP-UHFFFAOYSA-N 440.449 4.249 10 20 IICD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3-c3cccs3)CC2)cc1 778225937 LHJYNSKELPDRGN-SEYXRHQNSA-N 447.560 4.267 10 20 IICD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C 781036250 PXPYZCQREXHXGY-WVCKHHOPSA-N 433.593 4.028 10 20 IICD CSCc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782429265 XWJRKYSCPXYLJA-UHFFFAOYSA-N 437.565 4.376 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896483 ORYCNAAYMFGYOU-UHFFFAOYSA-N 434.496 4.051 10 20 IICD CCN(CC)C(=O)CCC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 783593654 AEPBWJRMQZNPKH-UHFFFAOYSA-N 427.383 4.024 10 20 IICD CC(C)=CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 791002379 HBBITGKPNJHRFJ-XNTDXEJSSA-N 439.400 4.123 10 20 IICD CCCCn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C(C)C 792206996 WDEKAKMEJQWJFT-UHFFFAOYSA-N 439.604 4.394 10 20 IICD COc1ccc(F)c2[nH]c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc12 793295042 LXIGWMRCWGQCDM-GOSISDBHSA-N 425.504 4.203 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1F 799187416 RCHGRCHTDFHDPO-UHFFFAOYSA-N 432.502 4.036 10 20 IICD C[C@@H](NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(N(C)C)cc1 799370582 PYPADISHKXDMAS-QGZVFWFLSA-N 436.581 4.204 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C 800637230 VJOJQQSDTIMTRQ-JKSUJKDBSA-N 445.995 4.307 10 20 IICD COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800719625 MFMWCUSQQLWPGD-UZUQRXQVSA-N 445.991 4.460 10 20 IICD CCc1oc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1C(=O)OC 800793351 PQYPEMWBWDIHJF-JQFNYASXSA-N 429.519 4.354 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 802609421 ALUBPHRCAANEMC-UHFFFAOYSA-N 433.508 4.134 10 20 IICD C[C@]12CCN(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C[C@@H]1C2(Cl)Cl 806877748 FRLGMEFNPLOCGH-AZOIQLNYSA-N 448.341 4.482 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3 808012192 LINRHJKAMYRYKU-UHFFFAOYSA-N 426.563 4.193 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1(S(=O)(=O)c2ccccc2)CCCCC1 813426095 YHIZTSRNFJNXPA-UHFFFAOYSA-N 440.609 4.470 10 20 IICD CCOC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(Br)c1 816574214 AIOREFGRGMOVNE-QGZVFWFLSA-N 446.700 4.350 10 20 IICD COCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 914851584 HIZWLJOQRQXIFP-UHFFFAOYSA-N 433.511 4.016 10 20 IICD Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 916457581 GLRDFFBGMKLUKC-UHFFFAOYSA-N 440.487 4.191 10 20 IICD COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2cccnc12 917863186 MXMDVTYTBZBFQB-UHFFFAOYSA-N 425.554 4.054 10 20 IICD Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 919786681 BHTXXJMQELZSMY-AWEZNQCLSA-N 427.492 4.472 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1COCc1ccccc1 919791229 ZNSHXNPRBLJZSS-UHFFFAOYSA-N 445.563 4.239 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(Sc2ccc(C)cc2)CCCC1 1321048382 HPYMPZHDUOYOJR-IBGZPJMESA-N 443.565 4.102 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1F 1322602637 XTTDSMYTJWEJPD-UHFFFAOYSA-N 446.530 4.405 10 20 IICD CC(C)n1ncc2c1[C@H](NC(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 1342638974 RSFMJNFQKKFCBK-YLJYHZDGSA-N 447.530 4.411 10 20 IICD O=C(CC1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1816688789 CSQFPKFDHRZQNI-QGZVFWFLSA-N 446.935 4.361 10 20 IICD COc1cc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])cc1OC 302482166 YGUZUVJBUXTFOV-SFHVURJKSA-N 441.253 4.092 10 20 IICD Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccc(Br)cc1 437023496 WOEOFAPGBRFZQE-UHFFFAOYSA-N 441.329 4.048 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)c1 728311929 CFGKWZZSGRICPG-OCKHKDLRSA-N 441.509 4.434 10 20 IICD Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)c1C 728527643 ZFGMZAMEBRQYIY-NRFANRHFSA-N 434.565 4.260 10 20 IICD COc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 729596988 ODXRDCOXLNVNQQ-HDICACEKSA-N 443.563 4.268 10 20 IICD Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)c1 731058850 DAJOXBUMWGISJD-UHFFFAOYSA-N 427.551 4.421 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)cc1 732115173 VOROLSYZFQDSOH-KRWDZBQOSA-N 445.519 4.328 10 20 IICD CCOCCCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@@H](C)C1 734666012 SHNCRJOFDFONCB-SQJMNOBHSA-N 444.664 4.392 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)C3CC3)cc2F)C[C@@H](C)O1 736653069 IMQLQZMNBHHOQD-PMAPCBKXSA-N 425.548 4.260 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Br)ccc2F)cc1 737118673 ZBEIUUFIZRHLTG-UHFFFAOYSA-N 436.325 4.032 10 20 IICD CCO[C@@H](C)c1noc(CN(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 742737335 YJBBPDYAZAJLQR-INIZCTEOSA-N 430.936 4.429 10 20 IICD COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F 743109786 CUZQQOOGLUTOJJ-CQSZACIVSA-N 437.418 4.004 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Cc1cccs1 743555186 RSRFUOJSPDXHNT-HNNXBMFYSA-N 441.519 4.282 10 20 IICD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)C1 745299059 VEWMVLRMNVOOLU-YADARESESA-N 437.584 4.445 10 20 IICD COCCCOc1cccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1 746361770 HFLJDBJQKOAHQX-DEDYPNTBSA-N 442.562 4.466 10 20 IICD Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc5c(c4)CCCN5C)CC3)c2c1C 746813686 ZWFKLLWBCKACBE-UHFFFAOYSA-N 449.624 4.223 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC(F)F)c1ccccc1)c2[N+](=O)[O-] 749141443 KFOHPJPRIFSIDQ-UHFFFAOYSA-N 436.370 4.282 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3NCc3cccnc3)cc2F)C[C@@H](C)O1 751380185 YEXFKUVJSHJDSO-RTBURBONSA-N 448.542 4.376 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4ccc(F)cc4s3)CC2)cc(OC)c1OC 759221634 CTQPAJMRHUXPDZ-UHFFFAOYSA-N 430.501 4.029 10 20 IICD O=C(NCCCSc1nccs1)NC1CCN(Cc2ccc(Cl)cc2)CC1 759545436 ARQKVTCXEUPWNJ-UHFFFAOYSA-N 425.023 4.243 10 20 IICD CC[C@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1ccc(Cl)c(Cl)c1O 760020079 UMFYRIYZQUQLAN-KRWDZBQOSA-N 432.369 4.360 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(COc2cccc(Br)c2)o1 763278866 GIDSZTDYLTXEMX-CYBMUJFWSA-N 446.297 4.393 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1 764157054 KZBIMAJLOMCLNI-UHFFFAOYSA-N 443.334 4.320 10 20 IICD COc1ccc(C[C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 765080757 SFZBRZNMHPXLEY-INIZCTEOSA-N 438.490 4.280 10 20 IICD Cc1ccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)cc1 765240412 SNZGTNLGADBODF-CJFMBICVSA-N 444.019 4.209 10 20 IICD CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)ccc2NC1=O 766380221 HKASTTZZWSTGAR-WCJKSRRJSA-N 427.520 4.184 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)c(C)o1 766496679 RZSPNUHKDKABBV-UHFFFAOYSA-N 430.467 4.277 10 20 IICD COc1cc(OC)c2cc(CCCN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)[nH]c2c1 766539108 KGXZXNQHTIGKRU-KRWDZBQOSA-N 441.547 4.444 10 20 IICD Cc1cc(Br)oc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768917434 ZJIHJVOLMVISPN-AWEZNQCLSA-N 427.726 4.104 10 20 IICD CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 769933751 NAOMNMWHMFZZNE-UHFFFAOYSA-N 428.602 4.041 10 20 IICD COc1ccc(COc2cccc(F)c2)cc1NCc1ccccc1OCC(=O)N(C)C 770420931 YDGDLULPBIRFKV-UHFFFAOYSA-N 438.499 4.492 10 20 IICD Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@@H](C)c4ccc(N(C)C)cc4)cc3)nc12 773857557 MHOMPZOEFFDNDT-SFHVURJKSA-N 441.535 4.192 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@@H](C)C2CCOCC2)sc(C)c1-c1ccccc1 775456814 DEBVWFOPMRQOLN-HNNXBMFYSA-N 430.570 4.243 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC3(CC2)OCCc2ccsc23)c1O 778576830 BWGLUSNBTPPFNE-UHFFFAOYSA-N 435.545 4.454 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1 778603430 FLXFAMANGGMVQP-ZDUSSCGKSA-N 432.904 4.192 10 20 IICD Cc1nc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)ccc2n1C 783483057 MUBCBDYYPHOJSV-INIZCTEOSA-N 427.508 4.197 10 20 IICD CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 789370701 PGSNKOBIXYYXHO-UHFFFAOYSA-N 448.479 4.190 10 20 IICD CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800636263 IGXWJIHGKWVOTR-INIZCTEOSA-N 429.948 4.230 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccccc3Oc3ccncc3)cc2F)CC1 800884151 MYBKPFHYLPFTAR-UHFFFAOYSA-N 434.515 4.085 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1sc2nc(COC)nc(OC)c2c1C 801548737 NYLQHUFAFBXYNL-UHFFFAOYSA-N 429.542 4.303 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(I)c2)c1 806683193 BHDIMLWPMHKRBE-LLVKDONJSA-N 426.254 4.197 10 20 IICD CC(C)(CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1cc(F)cc(F)c1 807419511 CVAGVMVARDXJHW-LJQANCHMSA-N 434.483 4.219 10 20 IICD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 807581468 ZXPCIRSWDCRLEM-LJQANCHMSA-N 445.563 4.264 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)cc2F)C[C@@H](C)O1 810167990 RZKJZVZFKDEHMJ-IYBDPMFKSA-N 444.934 4.010 10 20 IICD Cc1nn(C)c2cc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc12 812992353 CRXUUYISVUYOSR-MRXNPFEDSA-N 429.471 4.274 10 20 IICD Cc1nn(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)c(C)c1Br 914831440 KBAGKQVNVSACOQ-UHFFFAOYSA-N 427.346 4.248 10 20 IICD O=C(NCC[C@@H]1C(=O)Nc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915731052 SERDMTGKYFHZMX-FQEVSTJZSA-N 427.464 4.283 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccc1N1CCCC1 916632504 WPHTYTFYIOFARM-UHFFFAOYSA-N 448.489 4.464 10 20 IICD Cc1nc2ccccc2n1CCNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 919655630 TZYUAHUFYACWED-UHFFFAOYSA-N 431.540 4.416 10 20 IICD O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969626 URVHOZHCDXTIJT-UHFFFAOYSA-N 425.331 4.343 10 20 IICD CCN(CC)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 921203873 RVNPCRSRJWPSIR-UHFFFAOYSA-N 435.490 4.318 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1cc(F)c(F)cc1I 1329518775 MYRHFTOFXLIKBP-UHFFFAOYSA-N 435.555 4.011 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccco3)C2)cc1 1842078767 QUBOYFJSWMDSFX-OUKQBFOZSA-N 429.520 4.218 10 20 IICD CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 40938500 QHKMEXZBKRRANW-GXDHUFHOSA-N 444.372 4.304 10 20 IICD Cn1ccnc1[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1 726085898 FWCSCEACIXXYSL-QFIPXVFZSA-N 434.471 4.359 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1F 731347311 RXZRPKKTNIPOME-UHFFFAOYSA-N 443.397 4.451 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCN2C(=O)CCc3ccccc32)cc1 737494038 VSUAFTYPKLIAFV-UHFFFAOYSA-N 431.536 4.244 10 20 IICD Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 738982021 AZIQRCMPEIQKEV-OPHFCASCSA-N 448.611 4.380 10 20 IICD CCOc1ccccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752150 ZDVZBAZZGBBNRK-FQEVSTJZSA-N 427.545 4.147 10 20 IICD Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 745646950 CPXKQFSXXADJBN-GGAORHGYSA-N 425.548 4.448 10 20 IICD COc1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)ccc1OCC(F)(F)F 746722201 KXKMVFPUJKODOO-UHFFFAOYSA-N 437.462 4.018 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)c1ccccc1 746953002 TYBUMXOPRPTWOR-NFBKMPQASA-N 436.600 4.461 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 751299122 IRCAWJPJQNNYOM-HNNXBMFYSA-N 431.883 4.041 10 20 IICD C[C@H](NC[C@H](O)Cc1ccccc1)c1cc(Br)cc(Br)c1O 756547481 DJIABJGSHLVNCG-SMDDNHRTSA-N 429.152 4.171 10 20 IICD C[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(Br)c(F)cc1O 756851354 UDJRISYKHOLPQT-NWDGAFQWSA-N 448.296 4.258 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1 758416506 QNICENOXNDMRRI-HIPMGEKLSA-N 447.509 4.180 10 20 IICD COc1cc(N2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)cc(OC)c1OC 758936597 UCGNVFHOEUUKSE-UHFFFAOYSA-N 431.842 4.106 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OCc2noc(C)n2)c1 759384499 ROJCEOUVISVPRR-UHFFFAOYSA-N 446.301 4.087 10 20 IICD CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 759568212 KUMYXYDUUSRXEP-NRFANRHFSA-N 427.564 4.340 10 20 IICD CCCOc1cc(C)ccc1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 759952437 NXQGWMZMGVUMIH-UHFFFAOYSA-N 443.544 4.164 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2ccsc2C1 760805420 RMTSFPBLNQGSGT-PTNGSMBKSA-N 434.633 4.376 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 762669548 KMPVRPRAEVERIC-XLDJFRKUSA-N 435.927 4.247 10 20 IICD CN1CC[C@H](CNC(=O)NCCCSc2nccs2)[C@H]1c1ccc(Cl)c(F)c1 763027312 ADULVRQTOWEGPT-RHSMWYFYSA-N 443.013 4.410 10 20 IICD CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 765641717 CJXUJSPLUKOLHH-UHFFFAOYSA-N 447.645 4.283 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cs1 768847009 BAVNNIZIXZIGBY-UHFFFAOYSA-N 433.439 4.182 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCc3n[nH]cc3C2)sc(C)c1-c1ccccc1 773500780 IRIFEPRMYLDHQF-UHFFFAOYSA-N 438.553 4.010 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 774361615 HSKVOUSHEPEKKF-UHFFFAOYSA-N 442.924 4.200 10 20 IICD CC[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Br)ccc1O 775533214 YHPZWUNDWIMGEF-LJQANCHMSA-N 433.346 4.119 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 779679740 LHTQLRYLEMJGRR-UHFFFAOYSA-N 442.604 4.386 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3OCc3ccccc3C)c2)CC1 781277874 HMQWZVWCTAQLLW-UHFFFAOYSA-N 443.547 4.495 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)C1CCCCC1 783315564 IUJQOBVRYDCKOH-UHFFFAOYSA-N 444.919 4.272 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-n2ccnc2)c1)c1ccc(N)cc1 783483383 VHBARWOQIIXNPE-SFHVURJKSA-N 425.492 4.187 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 784109122 QDCDJPQETBPPFY-UHFFFAOYSA-N 437.540 4.388 10 20 IICD Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 786999024 MJJPJJLRNXLZRX-GHTZIAJQSA-N 425.548 4.183 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2Cl)C1 791061180 FIZYDAAJLPDPPS-CQSZACIVSA-N 438.952 4.049 10 20 IICD COc1c(NCc2cc(Br)cc(C)c2O)cc(Cl)cc1C(=O)N(C)C 793646598 KPNHZEVGYFGNLM-UHFFFAOYSA-N 427.726 4.439 10 20 IICD C[C@H](NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1 794836801 PJKRRFSWCWIZMG-SFHVURJKSA-N 433.568 4.270 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 802221755 HSCLAQXNYUEQBU-LJQANCHMSA-N 427.545 4.000 10 20 IICD CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nc(C)cs1 803678092 XUIYJASUIZNQHW-HXUWFJFHSA-N 428.602 4.104 10 20 IICD Cc1nnc2c3ccccc3c(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)nn12 804356191 BHZOWPSKRKZDFH-UHFFFAOYSA-N 442.445 4.053 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 806324351 FOJWPLFWOUECJO-UHFFFAOYSA-N 438.572 4.440 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 807289077 IHFMJWKISRVNRF-UHFFFAOYSA-N 443.522 4.047 10 20 IICD Cc1cc(Br)cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 807512498 XHTZGESWZRZJGO-UHFFFAOYSA-N 432.101 4.025 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)cc1F 813476173 OWNXGHKJZHSRTI-UHFFFAOYSA-N 428.247 4.012 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cccc(Cl)c34)cc2F)C[C@H](C)O1 814311743 WQRYPPRETFOTHR-GJZGRUSLSA-N 429.923 4.433 10 20 IICD Cc1cc(Br)c(O)c(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1 815166398 IANZRYFVNYXMGK-UHFFFAOYSA-N 432.767 4.070 10 20 IICD NC(=O)c1ccc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)c([N+](=O)[O-])c1 829427427 ZSTYKHLOVMXTOA-UHFFFAOYSA-N 434.477 4.491 10 20 IICD C[C@@H](NC(=N)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 849069500 OYBWYCASYRJQKM-GDBMZVCRSA-N 448.398 4.070 10 20 IICD Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br 857758839 URKMSKKJNANJMU-QGZVFWFLSA-N 446.389 4.053 10 20 IICD Cc1cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1ccccn1 914612648 VAHUHRAVEDYGIS-UHFFFAOYSA-N 442.485 4.466 10 20 IICD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(N3CCCCC3)cc1)n2C 916369098 NPVRBNXRZRWYLN-UHFFFAOYSA-N 426.586 4.261 10 20 IICD Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C 917710048 AGFNPMZXNGEKQH-HDICACEKSA-N 436.531 4.172 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 918208324 BOGSXZGUBBKVPX-UHFFFAOYSA-N 426.992 4.358 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cn2)cc1 918267819 ZVCOMNWJHYOJCV-UHFFFAOYSA-N 430.508 4.037 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCSC(F)(F)F 918590493 FZGYZKUWTPWNLT-PKNBQFBNSA-N 440.559 4.099 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 918660262 BRRKFFJTIBFBCG-UHFFFAOYSA-N 445.516 4.256 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1cccs1 920090287 KSSHFFYRUSMBCH-ROUUACIJSA-N 433.593 4.028 10 20 IICD CC1(NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCCC1 920747672 PNZPAQCVQOTRTG-GXDHUFHOSA-N 439.400 4.099 10 20 IICD COCCNC(=O)c1ccccc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1317762342 TZNXCWPRPDTHMW-UHFFFAOYSA-N 425.916 4.376 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1 1321647886 CQFSQIVVAHSHMU-UHFFFAOYSA-N 441.881 4.278 10 20 IICD Cc1c(CNC(=O)NCc2cn3cc(Br)cc(C)c3n2)n(C)c2ccccc12 472178464 YEHCWQAYGLBYNE-UHFFFAOYSA-N 440.345 4.205 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)ccc21 482867677 JVAPANLFUYSOOR-CALCHBBNSA-N 436.556 4.165 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(-c2c(F)cccc2F)n1 726191000 CVABWGAOEQGQEK-UHFFFAOYSA-N 443.519 4.227 10 20 IICD CN1CCCc2cc(CNC(=O)c3ccc(I)cc3Cl)ccc21 727994334 OINZHIMRAZNYGJ-UHFFFAOYSA-N 440.712 4.257 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCN(C(=O)OC(C)(C)C)C3CC3)ccc21 728476023 XOLWCGQCSPEYEP-UHFFFAOYSA-N 429.561 4.034 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 729051263 PRQOZISSHTUIJB-KRWDZBQOSA-N 443.507 4.209 10 20 IICD C[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 729344551 XIBYSCSWJZBAIU-FQEVSTJZSA-N 443.547 4.291 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1csc2ccccc12 730030958 USZJBMRJZPGZKT-FUHWJXTLSA-N 436.581 4.163 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1csc(I)c1 730774787 JOGCTLBGXPPXRB-UHFFFAOYSA-N 426.323 4.273 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(I)c[nH]2)cc1 734423716 XNZOWJGQXORPAK-UHFFFAOYSA-N 449.292 4.121 10 20 IICD Fc1cc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1N1CCOCC1 743495375 VGCRJKSHQDDSLB-HXUWFJFHSA-N 434.939 4.163 10 20 IICD O=C(NC1CCN(CC2CCCCC2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 744878456 XGLQWTPQPUCNMH-HSZRJFAPSA-N 429.605 4.128 10 20 IICD CC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1 745930926 RHMRHTOTYHOSNW-MRXNPFEDSA-N 442.507 4.291 10 20 IICD Cc1cc(-c2csc(NC(=O)C[C@H]3C=CS(=O)(=O)C3)n2)c(C)n1-c1ccc(F)cc1 746150197 RXSUVNYYPNRTJW-OAHLLOKOSA-N 445.541 4.244 10 20 IICD CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 751356158 NVVWVKKYAHGCNG-UHFFFAOYSA-N 426.941 4.306 10 20 IICD CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1 751552687 CRTGWWCHLHMGSH-UHFFFAOYSA-N 435.596 4.179 10 20 IICD COc1cc(OC)c2cc(CCCNC(=O)NCc3ccc(N4CCCC4)cc3)[nH]c2c1 753860184 NBQNUMYTKWCKNN-UHFFFAOYSA-N 436.556 4.217 10 20 IICD C[C@H](NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 755663404 VUTCRJQSBIAQNS-SFHVURJKSA-N 439.556 4.290 10 20 IICD CCC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756515986 OYRVABKAZCZPES-VGOFRKELSA-N 439.556 4.237 10 20 IICD CCOc1ccc(NC(=O)c2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cc2)cc1 761610549 HBTKPZOPZUKWBH-UHFFFAOYSA-N 435.480 4.113 10 20 IICD COc1ccc(C[C@H](C)CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 761671224 ZKBWXROOIOVCDG-PMACEKPBSA-N 425.573 4.113 10 20 IICD COc1c(F)cc(F)cc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 761686122 LDXVBFXHCFJEIK-ZDUSSCGKSA-N 427.398 4.365 10 20 IICD Cc1csc(Sc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2[N+](=O)[O-])n1 763281256 URPKHPUCJQBCKV-NSHDSACASA-N 445.522 4.283 10 20 IICD Cc1cc(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)cn2)c(C)n1-c1ccc(F)cc1 763763444 VELTYQAEFVYYSN-UHFFFAOYSA-N 435.547 4.411 10 20 IICD C[C@@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(Br)c21 765980091 OIFDCLWVYFFCRQ-FOIQADDNSA-N 449.414 4.022 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(COc4ccc(C)nc4)c3)c2)CC1 770143574 OREMTPWWUFMXNG-UHFFFAOYSA-N 430.552 4.363 10 20 IICD C[C@H](NC(=O)N1CCC(c2cccc(F)c2F)CC1)c1ccc(N2CCOCC2)cc1 770359002 NUZYJTBENDCFFI-KRWDZBQOSA-N 429.511 4.452 10 20 IICD CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 771060029 SJNFKXKUKUJTPU-NRFANRHFSA-N 444.959 4.188 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1NC(=O)OC(C)(C)C 772068460 TXBMDHBQVQWDOT-UHFFFAOYSA-N 443.519 4.248 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl 773096176 BNLGEGOKZOIRCU-QZTJIDSGSA-N 437.005 4.080 10 20 IICD Cc1nc(NCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2cc(-c3ccccc3)sc2n1 773744354 ABCLVWXACTWDMH-CQSZACIVSA-N 448.548 4.237 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccccc2O)ccc1-c1ccc(Br)cc1 778597193 ZTMNTWIVYAYTLE-UHFFFAOYSA-N 439.309 4.385 10 20 IICD COc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(OC)cc1Br 780396277 YZSIQYZGARDIOY-UHFFFAOYSA-N 444.347 4.405 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782790730 UXULAPIUPQENIN-GOSISDBHSA-N 446.617 4.272 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4c(Br)cccc43)cc2)C1 783502897 BBZDUWGOJMCFNN-VGSWGCGISA-N 442.401 4.318 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 788243178 FMEPLSZPNUDDBH-DHIUTWEWSA-N 431.621 4.211 10 20 IICD Cc1cc(C(=O)NCc2ncnn2C(C)(C)C)c(C)n1-c1ccc(Br)cc1 800641409 UIBJHRZZBXBOTQ-UHFFFAOYSA-N 430.350 4.133 10 20 IICD Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2C)c1C 800728531 SQJLWRJJFQGLRV-HXUWFJFHSA-N 435.572 4.045 10 20 IICD Cc1cccc(C(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c2cccc(C)c2)c1 807289932 NHUOYSURTKHJKO-UHFFFAOYSA-N 439.559 4.202 10 20 IICD CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CCC2 808488024 YKOOGDSLPGKXMY-GZTJUZNOSA-N 443.455 4.155 10 20 IICD COc1ccc([C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1O 810233637 NEXRTQFRCUVCSC-OXJNMPFZSA-N 429.561 4.383 10 20 IICD CC(C)(C)NC(=O)CN1CCC(CN[C@H](CCc2ccccc2)c2ccccc2O)CC1 815586908 VIHKUBXVQOHVAH-XMMPIXPASA-N 437.628 4.282 10 20 IICD Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc(OC(F)(F)F)cc1 831769939 YWKIYKLHOQDMPQ-UHFFFAOYSA-N 445.441 4.311 10 20 IICD CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 837226573 YNIWTWIWADEQPN-UHFFFAOYSA-N 428.444 4.421 10 20 IICD COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 913088209 NARGMAGRRWBCOQ-UHFFFAOYSA-N 426.444 4.289 10 20 IICD COc1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)c([N+](=O)[O-])cc1OC(F)F 914906161 MKFCFPLVULCSLP-UHFFFAOYSA-N 447.394 4.364 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C(F)(F)F)c1 916682671 YTZTWXKZPNAYEQ-UHFFFAOYSA-N 441.425 4.136 10 20 IICD COc1ccc(N2CCCN(Cn3nc(C4CC4)n(Cc4ccco4)c3=S)CC2)cc1 917487760 SZFODKDSKRPNGA-UHFFFAOYSA-N 439.585 4.111 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2Br)cc1 917926814 LKPSMIHTLJSRFR-UHFFFAOYSA-N 427.339 4.008 10 20 IICD C[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918146660 HFQOYMVMRYEIEW-KRWDZBQOSA-N 435.490 4.363 10 20 IICD C[C@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(N2CCOCC2)cc1 920870773 DKFNZVKNOADYKV-INIZCTEOSA-N 430.499 4.284 10 20 IICD Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)c(F)c3)SC2=S)cc1 1115862129 HZCLNNLOMQMQBJ-ZHZULCJRSA-N 427.570 4.292 10 20 IICD CCn1nc(C(C)C)cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1318838206 LECLXJWMSJKGFX-FQEVSTJZSA-N 443.592 4.088 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)cc2)CC1 1321087042 CYYOYULGSNXNKY-UHFFFAOYSA-N 448.394 4.256 10 20 IICD COc1ccccc1C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1 1321112507 YWQPDEYCTVHMTR-ROUUACIJSA-N 426.532 4.186 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1ccc(NC[C@H]2CCCO2)c(F)c1 301333102 BZDRXBBVQMMNMC-GFCCVEGCSA-N 445.419 4.065 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)c2)CC1 303838655 SEGHFRYKELLFGK-UHFFFAOYSA-N 441.597 4.396 10 20 IICD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(O)c1O 727005044 DMRWDRSFEBDXSI-AWEZNQCLSA-N 427.453 4.022 10 20 IICD CN(C)c1ccc(CN(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC(F)(F)F)cc1 728903924 AQQCTMJDHCIDTF-UHFFFAOYSA-N 448.411 4.228 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c1 729063289 IMPQWLJRKXULRA-WWMYMODYSA-N 440.540 4.312 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1cccc2ncccc12 731325395 NMIFROCHVJJLRG-UHFFFAOYSA-N 428.540 4.241 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 732173078 JCYUEGZDDYPSGW-OAHLLOKOSA-N 427.599 4.391 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCC[C@@H]1CN1CCCC1=O 732489511 VAMZIURKJJASFI-OAQYLSRUSA-N 433.512 4.044 10 20 IICD COc1cccc(-c2n[nH]cc2CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 733334090 ADDFDPRTXWIOHD-HXUWFJFHSA-N 426.948 4.199 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1)C1CCCCC1 733664834 HLSRUSLGZRMIQD-UHFFFAOYSA-N 435.568 4.499 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnc(Sc2ccccn2)c1 733845153 NLGWSPVTYPPZST-UHFFFAOYSA-N 435.553 4.128 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 742602418 RDHPUOCWELNXJP-NQIIRXRSSA-N 426.532 4.308 10 20 IICD C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1nc(Cc2ccccc2)no1 744474512 ULCQGIUAWGFTSQ-HNNXBMFYSA-N 438.439 4.354 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 746473521 URTBKIGNEFUKCS-NHCUHLMSSA-N 428.558 4.328 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2nnc(C(C)C)o2)c(C)n1-c1ccc2c(c1)CCC2 747066368 FQOGFDMAARRHQV-UHFFFAOYSA-N 435.524 4.448 10 20 IICD Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 747147971 KCOMPKCHUGZWEN-PXLXIMEGSA-N 444.560 4.209 10 20 IICD CCN(CC)c1ccc(CN[C@@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)cc1 753619972 UMZYMCLCKJHZEV-DEOSSOPVSA-N 443.035 4.214 10 20 IICD C[C@H]1C[C@H](NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c2c(O)ccc(F)c21 756598697 WIRHVIUFSGZITE-LIRRHRJNSA-N 442.512 4.460 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(OC(C)(C)C)n3)cc2F)C[C@@H](C)O1 758423864 USQCQEQVJKTWGF-HDICACEKSA-N 443.563 4.261 10 20 IICD C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(c2ccncc2)CC1 759927246 CNPWAPIGRJGPEO-KRWDZBQOSA-N 439.515 4.064 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1F 764260515 NBAXPRBRMUMRDG-UHFFFAOYSA-N 438.503 4.199 10 20 IICD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 764524444 GMRKFJBBFPSZRZ-UHFFFAOYSA-N 434.455 4.044 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Br)ccc1F 765256492 UILKULQXEHIGTA-HOCLYGCPSA-N 434.353 4.141 10 20 IICD C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119192 HIDMICWPAJZNHQ-HRAATJIYSA-N 431.939 4.162 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1F 774921313 CTSYFTKFEBASCJ-AWEZNQCLSA-N 439.453 4.184 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)cc1C 775140345 VNCXVVTTZOOXML-UHFFFAOYSA-N 430.477 4.295 10 20 IICD Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1O 775737259 MAXVZJVNXFGPKJ-HNNXBMFYSA-N 429.156 4.296 10 20 IICD Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(O)c(O)c3)[C@@H]2c2cccs2)cc1 778929756 NGCILODWBFALEV-WZONZLPQSA-N 436.533 4.268 10 20 IICD COc1cc(Br)cc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1O 780778801 GECCBBGYDHGKSR-OAHLLOKOSA-N 445.357 4.280 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(Cl)c1 782429089 FAWLWZNBNQLQHD-UHFFFAOYSA-N 425.916 4.475 10 20 IICD Cc1ccc2oc(CN(Cc3ccco3)C(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2c1 785423524 ZTNWIRDIPYOQMM-UHFFFAOYSA-N 445.519 4.245 10 20 IICD Cc1nn(-c2ccccn2)c(Cl)c1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 796265859 MOBZSPMPFVHDBK-IYBDPMFKSA-N 443.954 4.272 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@]2(CCO[C@H]2C)O1 799994406 LMOOQJBDXMYXMX-YDSTWLSQSA-N 435.996 4.054 10 20 IICD CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 799994454 MDFWAUDQIOWIFB-KRWDZBQOSA-N 435.012 4.023 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc2Cl)C1 800046907 DNHAMSBMPZHYJO-UWJYYQICSA-N 443.975 4.480 10 20 IICD COc1ccc([C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1O 810233639 NEXRTQFRCUVCSC-OXQOHEQNSA-N 429.561 4.383 10 20 IICD COc1ccc(C[C@](C)(O)CN[C@H](C)c2cc(Br)cc(C)c2O)cc1OC 810255586 NPYAOCROGJXANW-SZNDQCEHSA-N 438.362 4.125 10 20 IICD Cc1cc(Br)c(O)c(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 813792611 SJEWTWKELZLLPA-OAHLLOKOSA-N 433.115 4.188 10 20 IICD CN(C)c1cc(F)c([C@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)cc1F 877856446 SEIOSEWLSNAJGL-FQEVSTJZSA-N 446.498 4.122 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)sc2n1 916525718 VHTALKQAOVFREM-VIFPVBQESA-N 439.324 4.381 10 20 IICD O=C(NC1CCCC1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916691511 LWKWXKPICUOEKM-QFIPXVFZSA-N 437.540 4.278 10 20 IICD CC(C)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccc(N(C)C)cc1 917417955 PMWVOGSEITXZGJ-UHFFFAOYSA-N 448.567 4.125 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC1=S 917619714 LTEKWWRZKFOMFU-YBEGLDIGSA-N 435.958 4.372 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccccc1)c1ccc(F)cc1 918217021 XBPHEHGDYYZBPY-DEOSSOPVSA-N 437.490 4.390 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1SC(F)(F)F 918306518 ACWMYCNODBIUML-UHFFFAOYSA-N 425.476 4.352 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c(C)n1-c1ccccc1 919644122 KUGNIHYQNFZMNX-OAQYLSRUSA-N 434.492 4.108 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 920237030 HJEDJACYHADFJN-NRFANRHFSA-N 438.616 4.095 10 20 IICD C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CN(C)C(=O)OC(C)(C)C 1116046933 QWCYGGKDJFKCHQ-LJQANCHMSA-N 432.609 4.321 10 20 IICD Cc1occc1-c1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)n1-c1ccccc1 115218765 JWNWIBMPZKLFNJ-UHFFFAOYSA-N 447.564 4.310 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(Oc2ccncc2)c1 217156897 KLWADIZDSDWPGU-UHFFFAOYSA-N 432.524 4.404 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1F 303325653 IOMMMNXIMIEFMY-UHFFFAOYSA-N 428.430 4.007 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)C3CCN(C(=O)c4ccccc4)CC3)ccc21 484313632 BSTDAKJCFSUGJY-UHFFFAOYSA-N 447.579 4.281 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 725870813 SEZDRPMAWLDINS-NRFANRHFSA-N 429.536 4.136 10 20 IICD CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)c1 727248350 BISAIZRMONEIHX-UHFFFAOYSA-N 432.523 4.186 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1C 727863555 FEWKUSYCFBIWSR-GZTJUZNOSA-N 447.603 4.361 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1 729053656 QXZZFTKOHGEZKY-HJPURHCSSA-N 430.508 4.437 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730774856 LFPKMQPDUBPXBI-UHFFFAOYSA-N 436.577 4.389 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 733313958 FRVYQIVHOBUJSL-UHFFFAOYSA-N 429.369 4.090 10 20 IICD Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 736195673 QEBBHYGQXYOUDT-UHFFFAOYSA-N 441.622 4.248 10 20 IICD CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 738458652 GMUFYQJNGJQUIK-FQEVSTJZSA-N 436.478 4.230 10 20 IICD COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCCO3)Cc2ccco2)cc1F 739926615 PXIYVONPMUKVTA-UHFFFAOYSA-N 426.444 4.234 10 20 IICD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 743716127 JCMBQAKUUQHTLP-UHFFFAOYSA-N 439.515 4.209 10 20 IICD CCOCCOc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 745267713 PKEAUJSMFCOTJC-QGZVFWFLSA-N 447.963 4.475 10 20 IICD C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745647616 MMUPHDLJLCXOME-QMHKHESXSA-N 429.511 4.219 10 20 IICD CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)NCCCSc1nccs1 749729826 AYEHZTFMCXPSEO-UHFFFAOYSA-N 440.594 4.017 10 20 IICD COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1F 753741539 KEMGNFQRDVHUHA-UHFFFAOYSA-N 448.420 4.001 10 20 IICD CCOCCOCc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C 753895445 SWVFCOAVZFCYDG-UHFFFAOYSA-N 445.535 4.050 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)ccc21 754546993 CETCECQANGHBCJ-UHFFFAOYSA-N 444.531 4.266 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1Cl 757500430 MWZFSCJLYDBRLB-UHFFFAOYSA-N 426.878 4.190 10 20 IICD CC[C@@H](Cc1ccccc1Br)C(=O)NCc1ccc(N2CCOCC2)cc1 758159663 YPAVBNPVQJRZDP-SFHVURJKSA-N 431.374 4.171 10 20 IICD C[C@H]1CN(c2ccc(CN3C(=O)N[C@H](c4ccc(Cl)c(F)c4)C3=O)cc2F)C[C@@H](C)O1 761093967 WQPDCAVPSZFCCL-MTJIALIYSA-N 449.885 4.025 10 20 IICD COc1cccc(CNC(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)c1O 762233086 CDDZCMRYUFRKLP-UHFFFAOYSA-N 445.317 4.194 10 20 IICD CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3CCSCC3)cc1)CCC2 764353578 HSOSLSPBLOWQCP-LJQANCHMSA-N 430.643 4.478 10 20 IICD C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(N2CCOCC2)c(F)c1 765521436 ZICYTISHXRRWEP-SFHVURJKSA-N 434.515 4.160 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2ccc(O)cc2C1 769398656 MFBZVCMOHZXTAW-PDGQHHTCSA-N 444.603 4.020 10 20 IICD C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1 772875195 MDTAKSFXEFTZQL-AUSIDOKSSA-N 431.621 4.163 10 20 IICD COC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCCC1 774779338 DCLBCSDVFVVYER-SSZFMOIBSA-N 438.640 4.195 10 20 IICD CC[C@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cc(Br)ccc1O 775501903 TYYUDDGDPVZRMA-FQEVSTJZSA-N 446.389 4.064 10 20 IICD Cc1cc(Br)cc([C@@H](C)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1O 779004721 YIPCPTJCZGFORA-MRXNPFEDSA-N 446.389 4.217 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2F)C[C@H](C)O1 779606929 LDWZCBOXLBMSFM-RYUDHWBXSA-N 445.844 4.437 10 20 IICD COC(=O)c1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cn1 780108538 ZLBLUJKSDINSME-UHFFFAOYSA-N 449.507 4.008 10 20 IICD CO[C@H](C)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782429133 JLTHGABJTQUUEO-GOSISDBHSA-N 435.524 4.221 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1 783325733 AGPIHZLPVLXEEK-UHFFFAOYSA-N 446.551 4.102 10 20 IICD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 785424107 LRKDZKISRLGTEW-QGZVFWFLSA-N 436.581 4.020 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 788586348 BVHOPKRMSJUFMO-HNNXBMFYSA-N 425.520 4.102 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1ccc(Cl)cc1 791246335 NAIWVJHVTRBOHW-UHFFFAOYSA-N 432.948 4.498 10 20 IICD COCCCC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 792049069 AHBPCTREZWCCAF-HYBUGGRVSA-N 425.573 4.441 10 20 IICD CN(C)c1ccc(CNc2ccc(CCN3CCC(C(N)=O)CC3)cc2)c(C(F)(F)F)c1 792867097 FHWJFOMDFXAZJJ-UHFFFAOYSA-N 448.533 4.123 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 793035722 FLGBNQUJWSMJMN-UHFFFAOYSA-N 440.544 4.334 10 20 IICD O=C(Cc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1)N1CCOCC1 796274366 YVHLAVFPWDVIMT-UHFFFAOYSA-N 441.575 4.263 10 20 IICD COc1cccc(CN[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1O 796515750 MSUAQLHYTZAQLX-KRWDZBQOSA-N 433.346 4.065 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)cc(Br)cc1F 802609746 KIKWXRTUIFQEFP-UHFFFAOYSA-N 441.272 4.200 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 802610773 QHADIEVBBYSBIJ-UHFFFAOYSA-N 428.529 4.300 10 20 IICD Cc1ccc(-n2c(N(C)C)nc(CNCc3ccc(N4CCOCC4)cc3)c2Cl)cc1 802645257 TUHVZLJBPKESGQ-UHFFFAOYSA-N 439.991 4.027 10 20 IICD CC(C)c1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n(-c2ccccc2)n1 810353260 DRTAATSCDMJVPL-UHFFFAOYSA-N 445.567 4.191 10 20 IICD CC(=O)c1cc(CN(C)Cc2ccc(C(F)(F)F)cc2)c(O)c(CN2CCOCC2)c1 915823685 JMFGQJUKTDIWFM-UHFFFAOYSA-N 436.474 4.078 10 20 IICD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916699606 UOASLLSKDNQRTQ-SFHVURJKSA-N 431.483 4.484 10 20 IICD COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Br 917657872 CKISZVIJIXJTDK-UHFFFAOYSA-N 441.391 4.123 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)cc2F)C[C@@H](C)O1 917707853 CMBGVMJGTMPDMW-HUUCEWRRSA-N 440.437 4.153 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3(c4ccccc4)CCCCC3)cc2)C1 918116981 DHDZGHYXYRGFMJ-JOCHJYFZSA-N 448.611 4.090 10 20 IICD CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 918993438 XGTGPTINLAJKOJ-UHFFFAOYSA-N 445.972 4.145 10 20 IICD Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971772 WYJGXLAKEWFXFW-GOSISDBHSA-N 428.548 4.302 10 20 IICD C[C@H](NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920871643 MSRXMYBLDYLJSY-INIZCTEOSA-N 437.462 4.025 10 20 IICD CC1(C)CCc2nc(O)c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2C1 1116334360 FYJOBLBLARJMNI-UHFFFAOYSA-N 445.510 4.302 10 20 IICD COc1ccc([C@@H](NC(=O)N(C)Cc2ccccc2O)c2ccc(OC)cc2OC)cc1 1251789176 ICZVKSCZOIVJCU-XMMPIXPASA-N 436.508 4.349 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)cc1 1322377222 OLSACSSPGMHNND-UHFFFAOYSA-N 439.921 4.040 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 1339421054 BATYBARZPNBKFK-UHFFFAOYSA-N 427.892 4.330 10 20 IICD CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1789597668 ZRLNACDZNWPCBO-CQSZACIVSA-N 446.931 4.312 10 20 IICD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cn1 1795006400 JRLDXAVHXIVKHQ-RHHYMUMYSA-N 442.563 4.363 10 20 IICD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)nc1 1795234493 NWGRFAJFZLKTIT-VILGAWFOSA-N 442.563 4.363 10 20 IICD CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)c1ccccc1 1845500599 SKAORJVYFUONSU-FQEVSTJZSA-N 442.943 4.008 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 301753091 ZHYBEQILPGEULT-OAQYLSRUSA-N 438.528 4.057 10 20 IICD CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc3c(c2)CCCN3C)cc1 303033518 XVLLIALGRRMETA-UHFFFAOYSA-N 435.597 4.182 10 20 IICD Cc1cn(-c2cccc(NC(=O)Cn3c4c(c5ccccc53)CN(C(C)C)CC4)c2)c(O)n1 477809407 DEMXOSFBIDKOAZ-UHFFFAOYSA-N 443.551 4.246 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc2c1OCO2 726626608 INQPTLODRCFPSL-UYRXBGFRSA-N 442.562 4.152 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc4sc(C)nc4cc3OC)CC2)cc1 726847357 FVYGOYBPXJOUJX-UHFFFAOYSA-N 426.542 4.412 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)s1 727246917 YIAMIBWFKPDUJG-UHFFFAOYSA-N 442.975 4.296 10 20 IICD CCS[C@@H]1CCCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 732592212 XYPBDMODIAIBAI-GOSISDBHSA-N 445.551 4.359 10 20 IICD Cc1sc(NC(=O)C2CCS(=O)(=O)CC2)c(C(=O)OC(C)C)c1-c1ccccc1 732933795 XICHWJDWHAQDBA-UHFFFAOYSA-N 435.567 4.052 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1 733098285 ZNSFOPJPJSTOHP-RBSFLKMASA-N 438.902 4.316 10 20 IICD COC(=O)CCc1nc(COC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)no1 733444029 HOHCYXBDTBEJLI-UHFFFAOYSA-N 425.485 4.063 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)s1 735608305 ZIHOXBJRZWIEJX-UHFFFAOYSA-N 448.469 4.478 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)ccc21 740828033 CYCNIWKQTIOAMP-KKSFZXQISA-N 443.588 4.280 10 20 IICD O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742806156 PZVLJJNNXYXBHF-INIZCTEOSA-N 444.507 4.134 10 20 IICD O=C(Nc1nnc(-c2ccco2)s1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743107790 CCAHXEUGVQVWAF-LBPRGKRZSA-N 435.456 4.190 10 20 IICD COC(=O)CCSCc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 743140948 GLXBZKFXAHVRCR-UHFFFAOYSA-N 428.554 4.389 10 20 IICD COCCN(CCCc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 744280666 ULZVFSHPTQVVNW-UHFFFAOYSA-N 427.614 4.031 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2F)C[C@@H](C)O1 746706188 LGHGLOIJDHYLGE-IAGOWNOFSA-N 426.536 4.143 10 20 IICD CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCCC1 746834045 DXSMKKBLOUPFRT-UHFFFAOYSA-N 433.618 4.084 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 749254570 VIBWYNVKGWKAJB-HSZRJFAPSA-N 445.567 4.237 10 20 IICD C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(Cl)c(Cl)c1O 756478944 JMPVNWYHSIPADC-OAHLLOKOSA-N 425.356 4.261 10 20 IICD C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)cc(F)c1O 756550853 SVCYXDKRAGGPTR-CQSZACIVSA-N 437.353 4.101 10 20 IICD CCCOc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 760093288 WZSCYJYWHOVIAM-UHFFFAOYSA-N 427.520 4.202 10 20 IICD O=C(Nc1ccc(F)cc1)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 760699572 ARRNZVGNJRGMDW-UHFFFAOYSA-N 437.490 4.344 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2ccc(F)cc2F)CCCC1 760820511 QANXLCJJGNEWEZ-UHFFFAOYSA-N 433.474 4.209 10 20 IICD CC[C@H](C)Oc1cc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OC 761220033 SGUUNBFDQYSJGA-SFHVURJKSA-N 444.572 4.221 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(Br)sc1C 764612413 VMTDAMORPRHNHZ-UHFFFAOYSA-N 434.153 4.344 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1CS(=O)(=O)c1ccccc1 764900890 YZVFNUWDFMPODT-UHFFFAOYSA-N 436.577 4.389 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 765779753 ZJELSXULIWJBPT-LJQANCHMSA-N 447.620 4.495 10 20 IICD C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 773410871 YASSBJCDZKZYLY-IBGZPJMESA-N 435.543 4.322 10 20 IICD CC[C@@H](C)[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)Nc1cccc(N2CCCC2)c1 776164684 JPQSHOWXWYEVIB-MZNJEOGPSA-N 441.572 4.153 10 20 IICD COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCCCC1=O 776846141 BUIKZUQVUAVTCM-QGZVFWFLSA-N 427.520 4.361 10 20 IICD Cc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1cccc(Br)c1 781372669 WBQSFCQAQNKLNM-UHFFFAOYSA-N 446.389 4.187 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(Cl)c1 787346981 CKAHLPHTDPDWDH-FQEVSTJZSA-N 426.900 4.435 10 20 IICD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 788714558 TWRIHSIIVNTWRA-QGZVFWFLSA-N 442.466 4.284 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 788910429 KRYICSIGDGZAQZ-NRFANRHFSA-N 447.501 4.435 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H]1CCCS(=O)(=O)C1 789891043 SDNNZHCNGKRCFG-ZDUSSCGKSA-N 429.405 4.249 10 20 IICD Cc1cc(C(=O)NCc2ncnn2C(C)(C)C)c(C)n1-c1ccccc1Br 800641918 FGXBVCSGNFJTCR-UHFFFAOYSA-N 430.350 4.133 10 20 IICD O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)N(Cc1ccco1)Cc1ccccc1O 800763656 RZFCJOSBPCIILT-QHCPKHFHSA-N 443.503 4.300 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(Cc3ccc(-n4cncn4)cc3)C3CC3)cc2)CC1 802131540 FGVFOZWBRGKTOB-UHFFFAOYSA-N 444.583 4.378 10 20 IICD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803662692 ZOFQPMUNMVOFOL-LBPRGKRZSA-N 426.319 4.034 10 20 IICD CS(=O)(=O)c1cccc(Br)c1NCc1ccc(N2CCSCC2)cc1 804358300 XBDJCPQBEFIDMY-UHFFFAOYSA-N 441.416 4.018 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](c4ccccc4)OC3=O)cc2Cl)C1 809802633 CZHOLYRLFSOPBE-WVBUVRCRSA-N 426.944 4.497 10 20 IICD C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(N2CCCCC2=O)cc1 811974847 WIYDMMRZJZDJOX-CQSZACIVSA-N 446.345 4.232 10 20 IICD C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(N(C)C)cc1 813720083 QTBTVHJDRBVQPG-HKUYNNGSSA-N 430.593 4.435 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CCc2ccccc2)c2ccccc2O)cc1 815616418 OENUAAVAUPZWHK-JOCHJYFZSA-N 440.521 4.038 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)c2C)c1 914764394 KUDNJMOLFBOPTP-UHFFFAOYSA-N 430.552 4.042 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)cc1 914791776 VUXZMPJRTHUFOC-UHFFFAOYSA-N 429.567 4.361 10 20 IICD Cc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(C)n1-c1ccccn1 914872987 PHQREAHTSOSRKF-PMACEKPBSA-N 432.568 4.028 10 20 IICD C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917252317 ZFOKQXQAPQHPLU-GFCCVEGCSA-N 435.505 4.262 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2c1OCCO2 917847853 SEVVCNQUPCEPQT-FOWTUZBSSA-N 446.575 4.139 10 20 IICD CC(C)Oc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918129392 ZWWKKMMBRUAVEK-HDICACEKSA-N 429.536 4.226 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(C(F)(F)F)cc3)cc2F)C[C@H](C)O1 918201554 JJGMOYGMNBSNID-GJZGRUSLSA-N 439.453 4.458 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)cc1 918310422 LWNAJLAHEBYQMA-UHFFFAOYSA-N 428.552 4.114 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3cc(Cl)cc4cccnc34)CC2)cc1 918747304 ZVVBDUNRHMIHTE-UHFFFAOYSA-N 441.984 4.479 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(C)c1Br 1324160209 WMFTXMDYOBYEGJ-INIZCTEOSA-N 434.334 4.380 10 20 IICD COC(=O)[C@@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccc(OC)cc1 1325310218 SVLIGEYIKQGCCE-NRFANRHFSA-N 426.900 4.400 10 20 IICD COCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1346760468 KTMHUDTYDFVINO-UHFFFAOYSA-N 446.956 4.420 10 20 IICD Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1C 1793820579 NWOUJDMCGMTTET-UADZTWIMSA-N 446.551 4.265 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c(C)c1 727246301 LVAWFCOOSPYYSI-UHFFFAOYSA-N 434.539 4.335 10 20 IICD CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 728284229 USQKBHARJKZGTP-UHFFFAOYSA-N 433.552 4.467 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 734524594 CKGORYIVYZLZDU-IBGZPJMESA-N 432.490 4.384 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2ccccc2CC1 734783651 MOMZOEOYNHCQBY-CYVLTUHYSA-N 442.631 4.357 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 735861130 VBCLNDHJYTXHAT-UHFFFAOYSA-N 445.585 4.257 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 736402479 HHLYPEPBODNHKE-QRQCRPRQSA-N 449.954 4.016 10 20 IICD CCOC(=O)c1sc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C 738917920 KKGXWUNUBMWPCZ-HUUCEWRRSA-N 449.548 4.308 10 20 IICD COc1ccc(N(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)Cc2ccco2)cc1F 739925833 BRUVSFYKMVBRIO-UHFFFAOYSA-N 441.415 4.340 10 20 IICD Cc1cc(C)cc(-c2ccc(CNCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2)c1 742370670 IEKQXQYMXJEOMO-UHFFFAOYSA-N 434.605 4.495 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc(F)c(F)c(F)c1 743046405 FYBZNCZIBYYKPM-UHFFFAOYSA-N 436.440 4.214 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 743807900 KNQORJIZSHRRPM-UHFFFAOYSA-N 432.274 4.066 10 20 IICD COc1ccccc1[C@@H](CC(C)C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 746772274 LWFDIONZEUUQHU-HSZRJFAPSA-N 425.573 4.461 10 20 IICD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 748612154 GSMPBLWGVMUSHH-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 751459448 GJNGTBJKPVLVOY-UHFFFAOYSA-N 436.524 4.087 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)CC2)cc1F 753887426 WDZYLABFEPKRBK-UHFFFAOYSA-N 442.516 4.224 10 20 IICD C[C@H](NC[C@H](O)COc1ccccc1Br)c1cc(Br)ccc1O 756760433 OZOWMKKCROCYNL-AAEUAGOBSA-N 445.151 4.008 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1OC 759200710 RRKWNSOZAWGNIX-UHFFFAOYSA-N 439.434 4.085 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc([C@H](C)CNC(=O)c4ccccc4)no3)ccc21 762278883 QYBSOKDMSOAIDZ-MRXNPFEDSA-N 432.524 4.488 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 763999838 XKGUXJSUKVRMAA-UHFFFAOYSA-N 440.547 4.360 10 20 IICD Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 765257808 ZTSNKWHEYVLHHQ-JXFKEZNVSA-N 435.597 4.066 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(N2CCOCC2)cc1 765327699 BIFPMHCHNTWRNR-RTBURBONSA-N 429.992 4.425 10 20 IICD C[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCCC2)cc1 765329953 JIZZIIBFAJMVSL-XXBNENTESA-N 437.584 4.042 10 20 IICD C[C@@H](CC(=O)NCCCSc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1 765524514 IHVOJNLIZGFZOL-HNNXBMFYSA-N 427.636 4.415 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(-c2cc[nH]n2)c1 767921000 SRKIIZYGZLWZMZ-UHFFFAOYSA-N 445.445 4.254 10 20 IICD C[S@](=O)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 768106197 OLGJTEOQZZUHQH-BGOLNKOXSA-N 434.521 4.277 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1C1CCCCC1 769714020 RUCVOWRNNSCPGU-GOSISDBHSA-N 434.583 4.439 10 20 IICD C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 775190112 JQDLUNSIOKEXOO-HXOBKFHXSA-N 435.955 4.489 10 20 IICD Cc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c2cccs2)cc1 775261287 UTIXLEKFXCIJCY-FQRUVTKNSA-N 449.620 4.450 10 20 IICD CC[C@H](NC1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1O 775491939 JDBJCEOWVVYZRH-FQEVSTJZSA-N 446.389 4.299 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 778585655 VJRNPRKLQUVCQC-WMZOPIPTSA-N 440.540 4.064 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)cc2C1 780482793 LOEAWANHHASWRW-UHFFFAOYSA-N 448.567 4.313 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 789855488 OQJLBRKFYOGKJI-DESYSQHQSA-N 439.309 4.369 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC1=S 790587136 PZWZNCVPSZFVOT-LFIBNONCSA-N 449.985 4.431 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1 793814883 BMIYEFVQMKENPN-UHFFFAOYSA-N 437.584 4.129 10 20 IICD COc1cc(Br)cc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1O 799739054 PKKMVVGUAUVLQJ-CQSZACIVSA-N 443.382 4.290 10 20 IICD Cc1nc(Cn2nnc(NC(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)c2C)no1 803562302 UTMWWXCAFFLFKJ-UHFFFAOYSA-N 433.516 4.109 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)cc2)CC1 806759011 VDMVIZUBTLURQS-UHFFFAOYSA-N 428.920 4.229 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 806854402 DOYKQGSOYLVNKS-UHFFFAOYSA-N 428.583 4.281 10 20 IICD CSc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 809223909 YJFKGJXQRGOXGG-ACCUITESSA-N 435.621 4.485 10 20 IICD CC[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1O 810225820 NMLCTKXEAJXXLG-OAQYLSRUSA-N 449.517 4.478 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 811518424 KIQNQBLVQKANHQ-GOEBONIOSA-N 431.168 4.451 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](O)c3ccc(OC)cc3)CC2)cc1F 812885999 UTTQBIWBVFNIEF-DEOSSOPVSA-N 443.563 4.336 10 20 IICD CN(CCN[C@H](CCc1ccccc1)c1ccccc1O)S(=O)(=O)c1cccs1 815596947 IXFSZYIIGZSHJR-HXUWFJFHSA-N 430.595 4.038 10 20 IICD O=C(CCNCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(Cl)cc(Cl)c1 816659152 BUPJRIRQLKQDGV-UHFFFAOYSA-N 426.319 4.088 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c([N+](=O)[O-])c1 817952278 JLDLRVPYKYCCML-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CCn1ncc2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(-c3ccccc3)nc21 821739983 VUOWFJYGYHINSB-UHFFFAOYSA-N 441.535 4.089 10 20 IICD Cc1nc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc2o1 913138148 WFYGHQQCXIJRBW-UHFFFAOYSA-N 427.372 4.072 10 20 IICD CN(C)c1ccc(CN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C2CC2)cc1 914439581 JJIOOPLWGVLYPM-UHFFFAOYSA-N 443.547 4.466 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)CCCOc2ccccc2)c([N+](=O)[O-])c1Br 915211309 RBOPRENSVMLVLS-UHFFFAOYSA-N 440.250 4.179 10 20 IICD O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)c1ccco1 916246840 URODQDHOVXRTOB-NRFANRHFSA-N 449.507 4.128 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Br 916677608 ZJIOFGAFKMGGIZ-UHFFFAOYSA-N 436.325 4.179 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(COCc2ccco2)c1 916688925 NBRXQYBNDMQCTG-UHFFFAOYSA-N 435.524 4.497 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(-n2cccc2)cc1 917381231 YFROOWQSQQCVMO-UHFFFAOYSA-N 429.442 4.263 10 20 IICD CC(C)Oc1ccc(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918204959 WHVRYADVBWAJLL-RTBURBONSA-N 443.563 4.268 10 20 IICD CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220450 YFKHDHUZXMBAIS-UHFFFAOYSA-N 440.346 4.435 10 20 IICD C[C@H](NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(N2CCOCC2)cc1 920881010 KYLTUZNLGFSNDR-NRFANRHFSA-N 446.547 4.472 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)NCCCS(=O)(=O)c1ccccc1 921236327 HIYWRIHIUQNTQA-UHFFFAOYSA-N 425.348 4.051 10 20 IICD COCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1817041697 GSEZKQJKHJHDHW-QFIPXVFZSA-N 449.555 4.160 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2c(-c3ccccc3)nc3sccn23)SC1=S 207771545 DUVPGCFVYJCYMP-KAMYIIQDSA-N 429.548 4.129 10 20 IICD CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 248088862 XIDSWZNDNVAOJD-IRLDBZIGSA-N 449.595 4.048 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)ccc21 481940515 ADHAVTCSOCQSBP-UHFFFAOYSA-N 435.568 4.013 10 20 IICD CN1CCCc2cc(CNC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)ccc21 725876823 VPASFIIQIJBGTL-UHFFFAOYSA-N 427.976 4.270 10 20 IICD Cn1ccnc1[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1F 726085762 FASKJIMXIXEVMX-JOCHJYFZSA-N 434.471 4.359 10 20 IICD CCCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1Cc1ccccc1 726561913 YZLFMHAVBOIHPT-UHFFFAOYSA-N 432.568 4.291 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2c(c1)C[C@@H](C)O2 727861692 ZXGRIKNBOVMWNL-AINDZBIGSA-N 443.546 4.442 10 20 IICD CC[C@](C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 730759842 RCOBZCFTSCWFMR-VWLOTQADSA-N 428.444 4.425 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnn(-c2ccccc2Cl)c1 741396927 DZCBZYAESYESIC-UHFFFAOYSA-N 425.920 4.026 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cnc3ccc(Br)cn23)C1 742371287 OGHWNKCEUCHURK-QGZVFWFLSA-N 449.780 4.210 10 20 IICD COCCCOc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743119232 FKBWFYOMYCKJKD-QGZVFWFLSA-N 449.498 4.494 10 20 IICD CCCn1ccc2ccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc21 743179022 LZHLDLPWKZVQQA-FQEVSTJZSA-N 433.556 4.075 10 20 IICD COc1ccc(Br)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 747852831 JRXGPWNHDFQMLE-UHFFFAOYSA-N 425.329 4.382 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 747855876 CEIKVYWNDJTCDL-UHFFFAOYSA-N 444.490 4.152 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 749600370 HJGSRCUFTODCBU-UHFFFAOYSA-N 430.552 4.357 10 20 IICD COc1ccc(Br)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 750313114 RONVNVQLWNUDFH-INIZCTEOSA-N 435.318 4.376 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cc4c(ccc5ccccc54)o3)cc2)C1 753107693 KVUVTZCMNAYDCP-HXUWFJFHSA-N 441.531 4.147 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 753637323 QFHHCFINQZAWAV-AWEZNQCLSA-N 435.505 4.141 10 20 IICD C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1cc(Br)cc(F)c1O 756575174 NLYWKZMTLYTNCT-GFCCVEGCSA-N 425.298 4.097 10 20 IICD COc1ccc(NC(=O)NCCCSc2nccs2)cc1OCc1ccncc1 758533038 REFCXRSIQHYHTQ-UHFFFAOYSA-N 430.555 4.430 10 20 IICD Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1Cl 758910100 HUADONUZBNGQQZ-POHAHGRESA-N 447.847 4.196 10 20 IICD CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 759578778 JVBQVWFXHZPDFZ-RQOTYCFOSA-N 433.460 4.433 10 20 IICD COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCCc1ccc(O)c(O)c1 762267453 NUNZQIBTBHJKAW-UHFFFAOYSA-N 436.892 4.079 10 20 IICD Cc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 764413253 XSJSYDUGCHHCES-UFWORHAWSA-N 439.518 4.212 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 771053630 OYRYEIRUDSOCII-MRXNPFEDSA-N 429.860 4.094 10 20 IICD COc1ccc(CNCc2cccc(Br)c2O)c(OCc2cccnc2)c1 775153017 QJCKCNCARPIJHT-UHFFFAOYSA-N 429.314 4.427 10 20 IICD COc1cc(CN(Cc2ccc(N3CCN(C)CC3)cc2)C2CC2)ccc1OC(F)F 775646279 GNRCJILVJBHUBT-UHFFFAOYSA-N 431.527 4.213 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccc(F)cc4Cl)C3)CC2)cc1 776133567 XNFRYVINBSJUNX-QFIPXVFZSA-N 447.938 4.240 10 20 IICD CC[C@@H](C)n1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 778290655 WOZYRNAWHKVKOW-IERDGZPVSA-N 443.592 4.224 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3cccnc3)c3cc4ccccc4o3)cc2)C1 779392878 OOIQBZVHAYPRPJ-BKMJKUGQSA-N 440.547 4.409 10 20 IICD Cc1cc(Br)cc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1O 779616343 QGDWTBJLUBNRGA-KRWDZBQOSA-N 430.302 4.087 10 20 IICD Cc1ccc(-n2nc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2C)cc1 782896030 KVKKBJZYZVBCIS-UHFFFAOYSA-N 446.551 4.495 10 20 IICD COc1ccc(OC(C)C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784108682 JYACEWJENKHFJH-UHFFFAOYSA-N 425.529 4.227 10 20 IICD Cc1ccc(Br)nc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 786631135 GWZTUQZRIBMXTQ-ZDUSSCGKSA-N 440.288 4.153 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1c(Cl)cccc1Cl 787891050 FLEFPQIYISCHAT-UHFFFAOYSA-N 434.367 4.259 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3c(F)cccc3OC(F)(F)F)SC2=S)cc1 790593338 ZIWAUINUDLWIFH-ZSOIEALJSA-N 442.415 4.229 10 20 IICD O=C(NCc1ccc2ncccc2c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 792115615 QHBFSRRQORQYDP-GOSISDBHSA-N 426.467 4.304 10 20 IICD COC(=O)[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(OC)c(Cl)c1 793100634 ZRZLIFZRJPSNNB-GOSISDBHSA-N 430.854 4.437 10 20 IICD O=C1/C(=C\c2ncc(I)s2)SC(=S)N1c1ccc(F)cc1 794696638 VLBFCKVJJJXLQA-WEVVVXLNSA-N 448.307 4.293 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1c(S)nc2ccccc2c1=O 799717435 FEUCTEYGXZIORA-QGZVFWFLSA-N 445.544 4.181 10 20 IICD CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 799887513 AVOOLWPCHUTEBF-QGZVFWFLSA-N 442.991 4.325 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3CN3CCCC3=O)cc2Cl)C1 800720424 SPNFMXNCDZUJBW-UYAOXDASSA-N 447.023 4.263 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 801968218 QUWGBVREENTZBX-HSZRJFAPSA-N 425.573 4.086 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 802609856 NGMWVRJGWSPZQK-UHFFFAOYSA-N 434.540 4.236 10 20 IICD Cc1coc(-c2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2C)n1 807513455 NYYBDWCHUOVWKW-UHFFFAOYSA-N 434.279 4.226 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807673954 CLIYJIIZUHLNNK-DLVCFXQMSA-N 447.501 4.401 10 20 IICD COCCS(=O)(=O)CCCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814771631 AYKDRFGHQIRWMJ-LFIBNONCSA-N 441.621 4.056 10 20 IICD CN(CCOc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914333494 BFUOWTVEOFINJD-OBGWFSINSA-N 446.619 4.267 10 20 IICD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 915083992 UHQCAZRDKIWZDQ-NHCUHLMSSA-N 449.595 4.385 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2ccccc2OC(F)F)c(C)n1-c1ccccc1 915363233 TZTTUHQTSIFFPG-UHFFFAOYSA-N 433.476 4.493 10 20 IICD O=C(CCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458270 YKTZNIJMYFBKDB-UHFFFAOYSA-N 426.866 4.444 10 20 IICD COC(=O)c1c(NC(=O)CCC(=O)N2CCc3sccc3C2)sc2c1CCCCC2 917674608 RHGUKSOZJDUYKD-UHFFFAOYSA-N 446.594 4.169 10 20 IICD Cc1cc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 918036895 GDCREIHYZYITQS-UHFFFAOYSA-N 436.899 4.052 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 919652277 ALPASEFHMYVQGD-UHFFFAOYSA-N 432.524 4.472 10 20 IICD CCCCCC[C@H](C)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919783777 MPVIWEAEMIFCEV-IBGZPJMESA-N 442.583 4.100 10 20 IICD CCOCCOc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1 920351105 PKKFBNMTHNGILX-UHFFFAOYSA-N 439.584 4.100 10 20 IICD CCOc1cc2c(cc1NC(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)O[C@@H](C)C2 920872538 MQBCXUWTOTVEEV-IRXDYDNUSA-N 425.529 4.128 10 20 IICD CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)c1ccc(OC)c(OC)c1 921061668 JTVDBHYGRIOBAN-UHFFFAOYSA-N 441.311 4.262 10 20 IICD COc1ccc(N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)Cc2ccccc2)cc1 11606469 JEMJNJHHSPHXLV-UHFFFAOYSA-N 436.508 4.366 10 20 IICD CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 71941066 XJQHRBYGBOFMKA-UHFFFAOYSA-N 438.572 4.202 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4ccc(Br)cc4)CC3)CC2)cc1 108432825 UPQRXMIXYUNWEO-UHFFFAOYSA-N 429.358 4.228 10 20 IICD COCCCCN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 726712970 HYIQPOTYFLCRAE-UHFFFAOYSA-N 425.573 4.302 10 20 IICD CSc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 727094621 SCQKSIQFDSRKDT-GXDHUFHOSA-N 435.621 4.485 10 20 IICD Cc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccc3c(c2)OCCO3)s1 727150299 NTPPNACTNRGMSF-UHFFFAOYSA-N 439.493 4.042 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 728978973 XABBLJNYPCFLHL-GFCCVEGCSA-N 444.329 4.457 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC[C@@H](CCO)C2)sc(C)c1-c1ccccc1 729545909 ZDTHKEWMKALXSZ-SFHVURJKSA-N 444.597 4.323 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2F)CC1 730132337 BVHUACQQTOHJGH-HSZRJFAPSA-N 439.579 4.190 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1ccc2c(c1)COC2 733730643 BRMLLWCTSGXOPJ-UHFFFAOYSA-N 443.369 4.465 10 20 IICD COC(=O)c1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F 743109784 CUZQQOOGLUTOJJ-AWEZNQCLSA-N 437.418 4.004 10 20 IICD COc1ccc(N2CCCN([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)cc1 743842907 MLVRTZUGPOWBHM-JOCHJYFZSA-N 445.510 4.004 10 20 IICD Cc1ccccc1[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 745904081 LEXSCHGWAYJHAR-XMSQKQJNSA-N 445.510 4.348 10 20 IICD COc1cccc(CN(CC(C)C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 746217551 DRYGKKWQNFIVGX-FQEVSTJZSA-N 425.573 4.461 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(C4CCCCC4)CC3)cc2F)C[C@@H](C)O1 747495382 MOUFPWRZHRYDFC-KDURUIRLSA-N 446.611 4.036 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N(C3CC3)[C@H]3CCCc4ccccc43)cc2)C1 751082005 NSLYEWULQJINGC-OFVILXPXSA-N 446.595 4.140 10 20 IICD COc1ccc(N2CCN(CCCNCc3cnc(-c4cccs4)s3)CC2)cc1 751503286 LYIRTKHTXCUOIW-UHFFFAOYSA-N 428.627 4.182 10 20 IICD COC(=O)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12)C1CC1 751952819 OPSKYFMYVKZDGA-UHFFFAOYSA-N 427.884 4.265 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(-c4ccncc4)cc3)CC2)cc1F 753940910 PUCWSZFWXIWQBF-SFHVURJKSA-N 434.515 4.489 10 20 IICD COc1cc(OC)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 755832779 RGTOLATXRGVZHC-UHFFFAOYSA-N 439.434 4.235 10 20 IICD C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)c(F)cc1O 756354518 DHIZVHKPZYTDCQ-WBMJQRKESA-N 429.355 4.079 10 20 IICD C[C@@H](NC[C@@](C)(O)c1ccccc1)c1cc(Br)cc(Br)c1O 756573779 RFOGHZUUCCEPCW-PIGZYNQJSA-N 429.152 4.476 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3c(-c4cnn(C)c4)nc4ccccn34)c2C)cc1 757557422 QUEIJDHVRSWZBO-UHFFFAOYSA-N 440.507 4.403 10 20 IICD COCCCN(C(=O)/C=C\c1cccnc1)c1cccc(NC(=O)/C=C/c2cccnc2)c1 760616992 SGOUAFOOBYRCLP-FAEGWCMCSA-N 442.519 4.211 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1-c1cccc(Cl)c1 765286293 JYMXZPANPAAIRM-HNNXBMFYSA-N 443.954 4.180 10 20 IICD C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 765361064 YCOHKJGOZWDBCM-MHECFPHRSA-N 447.982 4.040 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 766253808 ZWEIPKGCMQPGSU-HNNXBMFYSA-N 429.514 4.010 10 20 IICD COc1ccc(N2CCC(N[C@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)CC2)cc1 768274066 CRTUCEGDHIIPFX-IBGZPJMESA-N 447.501 4.074 10 20 IICD Cn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(-c2cccs2)n1 768385229 UBQAAPIAILVGOZ-UHFFFAOYSA-N 432.496 4.149 10 20 IICD COc1cccc(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1O 769497926 DXVIYEVQMDCQLL-UHFFFAOYSA-N 436.533 4.370 10 20 IICD COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1-n1nnnc1C1CC1 770604303 RJLPZJNVLMDTBZ-UHFFFAOYSA-N 449.515 4.059 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1NC(=O)c1ccccc1Cl 773739450 AGESOULASVDXAQ-GFCCVEGCSA-N 430.913 4.426 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(N(C)C)cc1 773858005 NSZRLJIJEOIHNC-KRWDZBQOSA-N 436.556 4.087 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCCSc1nccs1 774242301 UFOQSLCHWZTCEL-WFASDCNBSA-N 444.420 4.463 10 20 IICD CCC[C@@H](NCc1cc(O)n2ncc(C(=O)OCC)c2n1)c1cccc(C(F)(F)F)c1 775325808 YYOVNGJINNFUGI-QGZVFWFLSA-N 436.434 4.261 10 20 IICD COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 775673273 PRJKMSXQVRCVOO-UHFFFAOYSA-N 441.597 4.210 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1O 779044693 BRAOGNNEAINZOI-KUHUBIRLSA-N 432.362 4.086 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 780275339 UOZIWXZZWPXHDS-SQJMNOBHSA-N 427.589 4.282 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 780991039 WDJCONKOWGCGBZ-XMSQKQJNSA-N 440.540 4.118 10 20 IICD CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783483518 ZJSAPMKBWKIXJT-SFHVURJKSA-N 444.535 4.140 10 20 IICD Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 784892561 FDGIXGKNLOAEDN-CQSZACIVSA-N 431.462 4.211 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 790653814 YVCGUGMYSCBMEV-QGZVFWFLSA-N 431.558 4.230 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2Cl)C1 791064344 RSKJDXVBRZUDOE-QFBILLFUSA-N 447.000 4.154 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 798057835 WLCVPEYOTAPAPX-HNAYVOBHSA-N 438.330 4.324 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(Cl)c(Cl)cc3F)cc2)C1 799243262 VCOYDLKUNMFZBY-ZDUSSCGKSA-N 439.318 4.156 10 20 IICD COc1cnc2ccccc2c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 801661158 MHYLRSRSMMZDRE-UHFFFAOYSA-N 445.441 4.029 10 20 IICD CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)cc(Cl)c1O 806160157 QYGAMXIUIBFXMI-GOSISDBHSA-N 429.369 4.480 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807193791 HZINIRLMLHNCRF-WAIKUNEKSA-N 436.483 4.093 10 20 IICD C[C@@H](NCc1ccncc1OCCCN(C)C)c1cc(Br)cc(Cl)c1O 808718432 OIKUFZPXZITIRR-CYBMUJFWSA-N 442.785 4.384 10 20 IICD CC(C)Oc1ccc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918204955 WHVRYADVBWAJLL-KDURUIRLSA-N 443.563 4.268 10 20 IICD COc1cc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)[nH]c2c(OC)c1OC 918657411 BZECMPKPQWUGLI-UHFFFAOYSA-N 425.529 4.311 10 20 IICD O=C(CN1CCC[C@@H]1c1cccc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1 920087688 ADOOUIYTWQPYDE-RUZDIDTESA-N 447.554 4.269 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCS(=O)(=O)c2ccccc2)c1 1320184726 AWBMKIFUKWTBGJ-UHFFFAOYSA-N 430.957 4.341 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C(C)C)[nH]n3)C2)cc1 1844780664 PHDFYBRWAITZAL-UHFFFAOYSA-N 445.567 4.071 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccco2)cc1 1848232882 RHLKDFBZXHFETI-CFHGVRTOSA-N 429.520 4.216 10 20 IICD COc1cc(OC)cc(N(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 682439284 PDSGFPKWFLOYRY-UHFFFAOYSA-N 428.492 4.287 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 726561726 OCWTXZOYVANVKN-NHCUHLMSSA-N 429.358 4.346 10 20 IICD Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1-c1ccccc1F 726566139 ZDLRCSDTCZNNND-UHFFFAOYSA-N 444.457 4.320 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3F)SC2=S)cn1 726986646 VHYSPEQKGJFCHS-MLPAPPSSSA-N 425.304 4.398 10 20 IICD COc1ccc(O)c([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1 728908560 MMOSYKCCQHUEDZ-OAHLLOKOSA-N 449.529 4.047 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)ccc21 729040116 CHIYESGXMHYCLD-MRXNPFEDSA-N 438.528 4.107 10 20 IICD O=C(NCCOc1ccccc1C(F)(F)F)NCc1ccc(N2CCSCC2)cc1 730117070 ISBOEIPCDJTERQ-UHFFFAOYSA-N 439.503 4.137 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 730909503 PAYDRQLVYNZBON-NRFANRHFSA-N 430.593 4.218 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc2)CC1 731014918 CKTFKOOAMZOZIY-UHFFFAOYSA-N 427.932 4.191 10 20 IICD COCCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 732247583 IKYKSZOQPHWPAW-UHFFFAOYSA-N 439.556 4.010 10 20 IICD CCc1nc(CN2CCC(CNC(=O)NCc3ccc(N4CCCC4)cc3)CC2)cs1 732253608 KLCVVJOCPWFHIT-UHFFFAOYSA-N 441.645 4.017 10 20 IICD C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742953240 ZYIMETBPPJMOQV-VGSWGCGISA-N 439.556 4.380 10 20 IICD Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1-c1ccc2ncccc2c1 743432325 JEISOVWBYAADJZ-UHFFFAOYSA-N 439.475 4.265 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 743957868 DXCWGLOADPZAEE-UHFFFAOYSA-N 441.959 4.170 10 20 IICD CCSc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743976088 ZUSRGVVWZCXCSS-INIZCTEOSA-N 449.523 4.124 10 20 IICD C[C@H](NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 747983607 HVHADUHXZNGRGO-YADARESESA-N 441.547 4.114 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1O 750036895 RQLWMZFJTONDLJ-OAHLLOKOSA-N 440.931 4.177 10 20 IICD O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 751121536 YEIJGTZUBJBMIQ-CQSZACIVSA-N 447.887 4.017 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751239689 QYJNMPADRCLCGS-RGMRCXJASA-N 440.481 4.427 10 20 IICD C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751932364 ZCVXXQQBHGYMSW-OAHLLOKOSA-N 449.532 4.439 10 20 IICD CCOC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 752828768 AHCJJQDTFMIGIA-YADHBBJMSA-N 449.599 4.252 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(Br)cc2O)cc1 756471715 WVIKAFQNCAGWOH-AWEZNQCLSA-N 441.391 4.036 10 20 IICD CC(C)(COc1ncccc1C(F)(F)F)NC(=O)NCc1ccc(N2CC=CC2)cc1 758517536 PIRCTYZOAAYSLB-UHFFFAOYSA-N 434.462 4.133 10 20 IICD Cc1ccc(Br)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 763283960 VJGOMHCOWWSAJC-GASCZTMLSA-N 435.337 4.440 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cnc2ccsc2c1 765277207 QHZHOBMUVIWMMU-KRWDZBQOSA-N 448.571 4.403 10 20 IICD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 769659734 JYEOGDVUSSAXFC-VWLOTQADSA-N 446.595 4.108 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 773760626 JGFIUAOAQHDEET-APWZRJJASA-N 428.529 4.191 10 20 IICD COc1cc([C@H](NCc2cc(F)cc(C(C)=O)c2O)C(F)(F)F)cc(OC)c1OC 778992340 IWLDOHNKKWAKPM-IBGZPJMESA-N 431.382 4.153 10 20 IICD COc1cc(O)cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 781023984 GPSOQDSIHHNUAV-WJDWOHSUSA-N 434.564 4.082 10 20 IICD CCC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCN(C(=O)c2ccccc2)CC1 781150462 UOLWWGWQHBTGGD-OAQYLSRUSA-N 449.595 4.033 10 20 IICD CC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1Cl 782895783 JUCPUPUWRGVNBL-UHFFFAOYSA-N 443.931 4.304 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)c1F 782924611 BWCYGRXBPKHVSG-UHFFFAOYSA-N 437.474 4.284 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(N(C)C)cc1 786420073 IAZIGDPYOOLLQH-OAHLLOKOSA-N 429.948 4.401 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 787371973 YBGFUYNBIUTLCV-SFHVURJKSA-N 432.362 4.355 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)noc1-c1ccccc1F 788840654 IQHKLBFNADIGGF-UHFFFAOYSA-N 442.466 4.211 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc4c(s3)CCCCCC4)cc2)CC1 789484584 CYHRUGNHBBMZBN-UHFFFAOYSA-N 440.613 4.293 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 791251092 ZGAZRXJZLHKDDC-RBUKOAKNSA-N 430.495 4.457 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 796165385 KIHIABMHYYYZJC-UHFFFAOYSA-N 447.413 4.141 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 800762545 LBTIPHSLKQRERM-DEOSSOPVSA-N 432.568 4.276 10 20 IICD C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nc(-c2cccc(F)c2)no1 805163493 SPGANOZCKVDQNY-SECBINFHSA-N 425.247 4.449 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 807505183 IBVIMMUPZPWYSR-GGAORHGYSA-N 437.559 4.227 10 20 IICD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCc1cc(Cl)cc(Cl)c1O 807838136 JGPCUOLCLRXMHL-UHFFFAOYSA-N 437.304 4.410 10 20 IICD CSCCCN1C(=O)/C(=C\c2ccccc2I)SC1=S 814266905 GVJZNJNNIAODDC-FMIVXFBMSA-N 435.377 4.246 10 20 IICD CN(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 815860735 YHGWQVBKJPCGQL-IBGZPJMESA-N 433.346 4.042 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1n[nH]c2ccccc12 914532939 VVTDZLODSQXRSS-RVDMUPIBSA-N 428.564 4.245 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 916624807 RLICTACJTBYFAM-LJQANCHMSA-N 436.581 4.470 10 20 IICD CCOc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916632235 SEVPULACBOIAOS-UHFFFAOYSA-N 441.425 4.402 10 20 IICD COC(=O)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12)CC(F)(F)F 917463272 CUPGLVKTLWGMNV-UHFFFAOYSA-N 435.398 4.011 10 20 IICD COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 918041689 PHWOAZZDIONRQV-UHFFFAOYSA-N 434.540 4.169 10 20 IICD COc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C(F)(F)F)c1 918294728 UASWQYJJRUNOBM-UHFFFAOYSA-N 448.397 4.180 10 20 IICD COc1ccc(CCCN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918780714 NBYARJZJGOAAIP-RTBURBONSA-N 443.563 4.222 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 919860152 OIMMEJGTOGKUNW-RTWAWAEBSA-N 433.577 4.499 10 20 IICD Cc1cc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 919986750 BBWKLBYAHZYGHG-UHFFFAOYSA-N 430.957 4.222 10 20 IICD CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291365 OAMZMVUGTWFIMK-BLLLJJGKSA-N 434.924 4.216 10 20 IICD CCc1ncsc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844839082 BGSBODIHSJUTJN-UHFFFAOYSA-N 448.592 4.244 10 20 IICD CC(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1845501824 HPZGGYQEDADDJQ-UHFFFAOYSA-N 428.916 4.005 10 20 IICD O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726697913 HHZMKVGJQWRAFE-UHFFFAOYSA-N 444.482 4.427 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)c2C)c1 727408714 GZEIVCASEQBWQZ-GOSISDBHSA-N 439.581 4.144 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1 728838910 ACQJGAMMDGLSJV-UHFFFAOYSA-N 437.853 4.191 10 20 IICD COCCSc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 728950118 DJVRCFXOHYHLQB-OALUTQOASA-N 443.613 4.383 10 20 IICD Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 730118097 GVDNQNWGSJWHBU-NRFANRHFSA-N 433.474 4.337 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(Cl)c3N(C)C)cc2F)CC1 730134076 MHQBRBFZCDTORG-UHFFFAOYSA-N 433.959 4.009 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccc(C)cc4)c4c3CCCC4)CC2)cc1 730965130 XKGKCPLDPUPQMO-UHFFFAOYSA-N 444.579 4.421 10 20 IICD C[C@@H](NC(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)c1cccs1 731037277 ZYODMTHHFUQWKR-MRXNPFEDSA-N 429.586 4.403 10 20 IICD Cc1cc(C(=O)COC(=O)COC[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 733599207 YSOHWVVIUHUIRM-SFHVURJKSA-N 439.430 4.034 10 20 IICD COCCN(C(C)=O)c1nc(CN(Cc2ccco2)c2ccc(OC)c(F)c2)cs1 739926920 WQXDYIGJMPMRII-UHFFFAOYSA-N 433.505 4.090 10 20 IICD Cc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C(=O)N(C)C 741075353 VNNGFUKYLLYHOJ-UHFFFAOYSA-N 446.498 4.089 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743115466 UNTXJXJLWIKFCN-SFHVURJKSA-N 446.498 4.218 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CC[C@H]2CCC[C@H]2C1 743554514 HACKGXWJBBPQLO-SOLBZPMBSA-N 425.495 4.310 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1F 746975324 CFEFAEARZOGCGA-FQEVSTJZSA-N 448.583 4.213 10 20 IICD O=C(Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O)Nc1ccc(N=Nc2ccccc2)cc1 750959470 KPVBSXJFMMFFFW-UHFFFAOYSA-N 444.407 4.466 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)n1 751011242 LDNGWLCNTDSUNY-QGZVFWFLSA-N 435.528 4.327 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](c3ccccc3)c3ccc(F)cn3)CC2)cc1 753612752 TXSLQBWJYCMZSX-SANMLTNESA-N 434.559 4.121 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)c(F)c3)SC2=S)cn1 753996904 YPQYIFNXCFTLDP-NSIKDUERSA-N 431.436 4.389 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2cc3c(cc2O)CCCC3)N2CCOCC2)cc1OC 756360932 FDUNIDQQRCNUFO-FDDCHVKYSA-N 440.584 4.012 10 20 IICD C[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1O 756732675 JGRRNTKYFKBLJI-CQSZACIVSA-N 443.396 4.344 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758110442 RGHRFRPQGGQTHT-UHFFFAOYSA-N 437.927 4.283 10 20 IICD COCc1ccccc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 761696089 WUUDCOIKLVYZCK-UHFFFAOYSA-N 443.506 4.118 10 20 IICD Cc1sc(Br)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 764460518 MGVSLZBSOFXUJE-MRXNPFEDSA-N 438.391 4.101 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OCC(F)(F)F)cc1 765257528 ZATHHPDQDJEWNW-APWZRJJASA-N 435.490 4.180 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H]3CCCc4c3sc3ccccc43)cc2)CC1 765978775 ONSAPUWYAYBJCS-NRFANRHFSA-N 426.607 4.303 10 20 IICD CC(C)N(Cc1ccc(F)cc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769735765 PBDIQWVCRUBBSX-UHFFFAOYSA-N 448.541 4.444 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1nc(-c2ccc(F)cc2)cs1 773610711 KUHITQYOGXPJJC-UHFFFAOYSA-N 448.903 4.053 10 20 IICD COc1c([N+](=O)[O-])ccc(CN(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c1O 774910915 WBTVFUBRTWVDSE-UHFFFAOYSA-N 443.548 4.056 10 20 IICD Cc1ccc(-n2nc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2C)cc1 776040980 HEVKLWFCVXUKFT-UHFFFAOYSA-N 445.567 4.077 10 20 IICD COC(=O)c1c(CC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)[nH]c(C(C)=O)c1C 777823096 PNUWEAVKPXLFPV-KRWDZBQOSA-N 448.519 4.350 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1csc(N2CCCC2=O)n1 777827235 YDEKFIFZDZYMJK-QGZVFWFLSA-N 435.549 4.308 10 20 IICD COc1cccc(Cn2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1OC 779461543 KQOZURYAVARXKF-UHFFFAOYSA-N 449.555 4.211 10 20 IICD CCOc1cc(CN(C)c2ccc(OC)c(F)c2)ccc1OCC(=O)N1CCCCC1 780779546 LDUGPNXVCUAXEH-UHFFFAOYSA-N 430.520 4.261 10 20 IICD COc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(O)c1 794387641 NEDDKTOTJKISRS-UHFFFAOYSA-N 425.485 4.238 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCC3)nc1-c1ccc2c(c1)CCC(=O)N2 799187346 PXTKCVLHDJJKSU-UHFFFAOYSA-N 439.562 4.293 10 20 IICD O=C(NCCCc1c[nH]c2ccc(F)cc12)NCc1ccc(N2CCSCC2)cc1 799886973 ICYFYPLATFGYLX-UHFFFAOYSA-N 426.561 4.292 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 800763707 SMHCIQIZXJLGBC-DEOSSOPVSA-N 432.568 4.277 10 20 IICD COC(=O)c1sccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 800886137 BXWBKSLGIVIWES-UHFFFAOYSA-N 439.449 4.451 10 20 IICD COc1cc(C)c(Br)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 802838925 DJZXZKMYKWEXIZ-MRXNPFEDSA-N 434.330 4.293 10 20 IICD C[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(N2CCOCC2)cc1 806613930 DKTYEARMEKCCIP-AWEZNQCLSA-N 428.439 4.002 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 807766510 CSDUYUWTRCOHSX-FQEVSTJZSA-N 444.579 4.429 10 20 IICD COc1cc(O)c(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1OC 809780493 YSEMOAJJOZUADK-UHFFFAOYSA-N 428.529 4.387 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCN(c2ccccc2F)C1 813855524 PUCFZNRBFHZNEG-INIZCTEOSA-N 436.325 4.104 10 20 IICD C[C@@H](Cc1cnc2ccccc2n1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 815258320 UTZAKPWUMIFABC-INIZCTEOSA-N 440.494 4.195 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC[C@@H]1c1ccc(F)cc1)c2[N+](=O)[O-] 844146946 SZSPYTNSNVZERC-HXUWFJFHSA-N 444.418 4.487 10 20 IICD COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 914793168 BAUNTZIVZXGLJV-UHFFFAOYSA-N 442.465 4.230 10 20 IICD CC(C)c1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456639 KGYUVYANLZQTEU-UHFFFAOYSA-N 436.474 4.361 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)cc2)C1 917832924 IFJQGZNAQATJEL-NRFANRHFSA-N 429.520 4.111 10 20 IICD CCCOc1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918036672 AZTRSJQDHJFJEE-QGZVFWFLSA-N 444.963 4.152 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1Cc1ccccc1 919970192 SUQHYTQHUOEOKX-UHFFFAOYSA-N 446.595 4.023 10 20 IICD Fc1cc(CNCc2cccc3ccccc23)ccc1N1CCN(c2ncccn2)CC1 920180588 OZTMXGZWHCHIEK-UHFFFAOYSA-N 427.527 4.385 10 20 IICD Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1116202149 LGZUOMKPYZMADL-UHFFFAOYSA-N 437.931 4.282 10 20 IICD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(N5CCCC5)cc4)CC3)cc2NC1=O 1116443974 JYVMUHAWIGWDAH-SFHVURJKSA-N 433.552 4.101 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CCc3ccccc3)C(C)C)cc2F)CC1 1318298405 RJIWRCJYZZLQTJ-UHFFFAOYSA-N 426.580 4.130 10 20 IICD COc1ccccc1NC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 1321026144 XLDMVPZEEMIVGG-UHFFFAOYSA-N 448.542 4.451 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(c4cccc(OC)c4)CC3)ccc21 1322453014 RPAQETFBMKNION-UHFFFAOYSA-N 435.568 4.312 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3sc(C)nc3-c3cccs3)CC2)cc1 1328309685 TZXXWMLRFZNRIT-UHFFFAOYSA-N 427.595 4.470 10 20 IICD Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1788731429 PVDFVLPMLGYNAY-UHFFFAOYSA-N 439.899 4.449 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)ccc21 473551114 PXVJYFMURHUSSQ-VPTFNQTCSA-N 426.582 4.475 10 20 IICD Cc1cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)ccc1NC(=O)C1=S=CC=C1 545728278 ZIXGKBQBLMTZHN-UHFFFAOYSA-N 430.411 4.342 10 20 IICD Cc1cc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(C)n1-c1ccccn1 726166287 NYSIITZOBCPPOO-GOSISDBHSA-N 445.567 4.236 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c1 728948130 WUKPSDDJTKAOLG-OTWHNJEPSA-N 425.573 4.439 10 20 IICD O=C(Nc1nnc(Cc2cccc(F)c2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 730668401 GULQHXQWRLTJHF-GOSISDBHSA-N 442.516 4.187 10 20 IICD CCC(CC)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)N[C@@H](C)c1ccccc1 733648507 UQOBINZOWUOMSF-NRFANRHFSA-N 438.616 4.232 10 20 IICD COc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(SC)cc1OC 741300854 NDZAYMZURCSGHJ-RQZCQDPDSA-N 440.656 4.215 10 20 IICD CC(=O)NC[C@H]1CCCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 742615572 OHEIESRSGAJTMG-IEBWSBKVSA-N 447.526 4.115 10 20 IICD CC(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 742907152 JXMZTEQRMHFYCO-UVQBRAAOSA-N 440.681 4.330 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCC(=O)NCc1ccc(F)cc1 743256710 OZYMVXWSWZMVDP-UHFFFAOYSA-N 441.528 4.279 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cc2c1OCO2 743285021 RURYGRWIRZIDQO-DZGUVLCISA-N 425.531 4.183 10 20 IICD CCN(CC)C(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 743484562 GWPYHHGOTWLOHT-SIKLNZKXSA-N 431.527 4.456 10 20 IICD O=C(NCCCOc1ccccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743524899 CBOHYDCVRVDNCX-INIZCTEOSA-N 437.462 4.164 10 20 IICD Cc1cccc(O[C@H](C)CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 743554864 MUIUCJUJASBFFG-GUDVDZBRSA-N 429.536 4.014 10 20 IICD Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 743564910 QUYPKYFOGIZHPG-OPHFCASCSA-N 437.584 4.360 10 20 IICD COc1ccccc1[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 745902878 ADTDSVXSYRYDCC-QZTJIDSGSA-N 445.510 4.465 10 20 IICD COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c(OC)c1 752126756 URGWMSJIPFXVRC-SFHVURJKSA-N 425.510 4.172 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Br)cc2O)cc1 756471718 WVIKAFQNCAGWOH-CQSZACIVSA-N 441.391 4.036 10 20 IICD CCCCOc1cccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 759953707 AYOGGAAZCRWCHL-UHFFFAOYSA-N 443.544 4.245 10 20 IICD CCS(=O)(=O)c1cc(F)ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 760012995 DTMDXGMFDINYMS-UHFFFAOYSA-N 433.549 4.274 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 760029943 CZENHCXNOUFVID-UHFFFAOYSA-N 441.539 4.470 10 20 IICD C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(Cc2ccc(C(F)(F)F)cc2)C1=O 761163207 NKOGPILNPAIELO-INIZCTEOSA-N 447.457 4.067 10 20 IICD COc1ccc(N2CCC(N3C(=O)N[C@H](Cc4cc(Cl)cc(Cl)c4)C3=O)CC2)cc1 761222369 MMJNTMYCAFGJNJ-HXUWFJFHSA-N 448.350 4.134 10 20 IICD CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 761631650 HTYGSLWDFCIAAH-UHFFFAOYSA-N 439.899 4.392 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 761781392 XOCHVTDYKKIFRI-HNNXBMFYSA-N 437.471 4.353 10 20 IICD CC(C)(C)[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 763565052 JTLZGCCTKHTYPC-APWZRJJASA-N 425.520 4.150 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccn1 764527823 SJMPLNIMKHWCBM-UHFFFAOYSA-N 431.930 4.153 10 20 IICD C[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCCCCC2)cc1 765935824 OSYXITDJQYISBU-QGZVFWFLSA-N 447.567 4.279 10 20 IICD COc1ccc(N2CCC(NCCCOC3CCN(Cc4ccccc4)CC3)CC2)cc1 766454862 RZAHANSHBVWWKR-UHFFFAOYSA-N 437.628 4.325 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCN(Cc2ccccc2)CC1 768917449 ZQULHRUNTWQTSB-HSZRJFAPSA-N 442.003 4.038 10 20 IICD COc1cc(Br)cc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1O 769402068 SSNGIJCPDDCINI-MRXNPFEDSA-N 439.737 4.054 10 20 IICD C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119556 ILUHLHWLIBUTQA-MBSDFSHPSA-N 427.976 4.018 10 20 IICD C[C@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(N(C)C)cc1 776237498 AUUHTUZVXIZXLX-DOTOQJQBSA-N 428.964 4.259 10 20 IICD O=C(NCCCSc1nccs1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780683270 YSJVLGJGQMSCST-UHFFFAOYSA-N 431.489 4.328 10 20 IICD CC[C@@H]1C[C@@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782002796 SVODOLBPPICMOM-IOMROCGXSA-N 433.593 4.030 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2nc(O)[nH]c2c1 783124816 HKZNFICEZYBDSV-AWEZNQCLSA-N 428.452 4.500 10 20 IICD COc1cc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1OC 783485175 HJRAZUBAFJWRFP-HNNXBMFYSA-N 437.471 4.158 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)noc1-c1ccccc1F 788838239 FEOSYJXCGIKPIQ-UHFFFAOYSA-N 438.503 4.320 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 789835865 JSPSWLPAABKXJA-QGZVFWFLSA-N 433.508 4.056 10 20 IICD Cc1oc2c(CN3CCC[C@@H](CN4CCOCC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 799952907 QXNFPZARDRWIMZ-FQEVSTJZSA-N 448.563 4.018 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CSc1nc(-c2cccc(OC)c2)no1 801548640 KIBXASSKINDQKQ-UHFFFAOYSA-N 427.526 4.372 10 20 IICD CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801989569 CYOLGQYUZJSCPB-SFHVURJKSA-N 439.535 4.050 10 20 IICD CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 802581053 MENQXCNSSPQTDT-UHFFFAOYSA-N 449.536 4.267 10 20 IICD CN(c1ccc(CNC(=O)NCc2ccc(C[S@](C)=O)cc2)cc1)C1CCCCC1 805010658 AANDNMULVVWFGF-PMERELPUSA-N 427.614 4.333 10 20 IICD CCC[C@H]1CCc2nc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)sc2C1 807512707 FQFUISCRAZUGFQ-JTQLQIEISA-N 442.368 4.315 10 20 IICD Cc1cnn([C@@H]2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)c1 811636884 NLXZKXGVPMXCHU-YADHBBJMSA-N 428.496 4.186 10 20 IICD O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccc2c(c1)OCO2 916232550 PJGHCYMHJHUKHB-RUZDIDTESA-N 443.503 4.019 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 916437443 JZHSFUBFNOSFEJ-QHCPKHFHSA-N 445.007 4.011 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(NC(=O)c2ccccc2)c1 916681708 ZTLLLVKBBPEKFL-UHFFFAOYSA-N 448.498 4.236 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 917116939 HNJLCMLDMWJZQT-UHFFFAOYSA-N 439.515 4.013 10 20 IICD CCOC(=O)N[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1 917460608 FNBOZHVJPSAHRT-SFHVURJKSA-N 436.508 4.185 10 20 IICD Cc1cc(C(=O)CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)s1 918139862 GOHWZHGRUDNOKO-GASCZTMLSA-N 432.561 4.397 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(c2ccc(O)cc2)CC1 918285314 GKKCJPYUDHQOJI-UHFFFAOYSA-N 429.480 4.095 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1Cc2ccccc21 918631503 URVPFIHKMZHDLD-GYZOOYGHSA-N 428.604 4.186 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccs1 919969319 URURADNLVUILLL-UHFFFAOYSA-N 449.576 4.139 10 20 IICD C[C@H](Cc1cccc(Br)c1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 920811992 PZNZOWGDTHHRSJ-UZLBHIALSA-N 447.373 4.477 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(N2CCOCC2)cc1 920921351 ZKBBYSQJHLBDRW-QUCCMNQESA-N 434.540 4.315 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)cc2)CC1 1256348048 VPIBMUHGERHGQC-UHFFFAOYSA-N 433.596 4.001 10 20 IICD CCc1cccc(C)c1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 10877225 LUPFQSWXPAHVJW-UHFFFAOYSA-N 427.456 4.128 10 20 IICD CCc1cccc(NC(=S)NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 18918350 TXBZVHNJLKYTJX-UHFFFAOYSA-N 429.380 4.398 10 20 IICD CN(c1ccccc1)c1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cn1 435865043 NGERYURTGYGARF-LGMDPLHJSA-N 425.448 4.412 10 20 IICD Cc1c(CNC(=O)N[C@H](CCO)c2ccccc2Br)n(C)c2ccccc12 472283377 XMUHIRKTJLVXGO-GOSISDBHSA-N 430.346 4.172 10 20 IICD Cc1c(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 515902014 SALPYRKJNLVUAI-OAHLLOKOSA-N 431.458 4.341 10 20 IICD CN(CCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 726627297 PRIBIPJPRVJJEZ-QGOAFFKASA-N 429.523 4.028 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2cccc(Br)c2)c1C 727168719 WGPMZIPUGGYGGI-UHFFFAOYSA-N 429.318 4.096 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)cc2)CC1 731049650 IGXNIMVVXLOKBW-QHCPKHFHSA-N 435.547 4.384 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 731279031 UIXNANAKCVYCHS-SFHVURJKSA-N 447.601 4.106 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F 731363551 IVNKLAYAMNGGSN-KRWDZBQOSA-N 436.572 4.118 10 20 IICD CCOc1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1Cl 732737567 QETSQNORFSDUJK-UHFFFAOYSA-N 425.863 4.134 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)ccc1[N+](=O)[O-] 734740375 MLXMJCXSCCIYDC-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 735467176 SHDKIASRBMRFHD-HXUWFJFHSA-N 431.920 4.065 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F 737117953 VWDMCPXBZDINDW-UHFFFAOYSA-N 441.931 4.360 10 20 IICD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 737210085 YHLAZORRTUFHPF-UHFFFAOYSA-N 439.503 4.279 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 742371271 NCEOHKJCPMUKLO-MRXNPFEDSA-N 440.874 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccnc(N2CCCCC2)c1 745429906 YPXQCDIZZMFOJL-UHFFFAOYSA-N 447.377 4.272 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1 745870117 PAQXCVWTUXIFHD-UHFFFAOYSA-N 437.632 4.409 10 20 IICD C[C@@H](NC(=O)NCCCSc1nccs1)[C@H](OC1CCOCC1)c1ccccc1 747419979 NUGKAYJWBSHXHE-APWZRJJASA-N 435.615 4.250 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 750066354 IOAKQTUCUZYAPG-OAQYLSRUSA-N 427.501 4.106 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCC1CC=CC1 750379070 DUORYHZAXKDJFT-DHDCSXOGSA-N 438.368 4.160 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(C(F)(F)F)c3)SC2=S)cc1 755379961 NBTYVQDUMVZJAP-RIYZIHGNSA-N 426.416 4.349 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3C[C@@H](O)c3cccs3)cc2)CC1 756692473 UPKPUBPDNGMSAI-FCHUYYIVSA-N 443.613 4.019 10 20 IICD CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 758470826 GFQMMKZKESKABP-OAQYLSRUSA-N 445.611 4.161 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 759614183 WZTPNFBKIJSORS-WBVHZDCISA-N 435.362 4.241 10 20 IICD Cc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3cnn(C(C)C)c3n2)s1 762262163 SCRWSHXTWVPFLP-UHFFFAOYSA-N 436.537 4.433 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1csc(-c2ccc(Br)s2)n1 762268836 UJJUBOOELPZODT-UHFFFAOYSA-N 425.329 4.018 10 20 IICD C[C@@H](N[C@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817310 XZQMGDDPFJETOB-OPAMFIHVSA-N 428.939 4.489 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CCCc2sccc21 767306366 SWXNCHOQCHGQHT-GOSISDBHSA-N 439.503 4.480 10 20 IICD C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 767314169 VPZRMSVJLWIHAA-JTSKRJEESA-N 429.948 4.021 10 20 IICD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 767777921 FBTSFLKBKLBYQI-IBGZPJMESA-N 439.453 4.464 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 771134678 HVCOFLFPBCTQHU-WMZHIEFXSA-N 428.548 4.461 10 20 IICD C[C@H](NCCCC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)cc1Cl 772978324 FHCNUABGXCQYDJ-SFHVURJKSA-N 427.976 4.197 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCC(=O)OC(C)(C)C 774336427 ZAGKNHMGRGGGGR-UHFFFAOYSA-N 429.355 4.198 10 20 IICD Cc1cc(CC(=O)Nc2cc(-c3cccnc3)nn2CCO)c(C)n1-c1ccc(Cl)cc1 775117229 AYIHNPHIEILUJH-UHFFFAOYSA-N 449.942 4.180 10 20 IICD COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 775368626 CFHOAAXSUZKNIV-QWHCGFSZSA-N 442.497 4.110 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](CCOC)c1ccc(C)o1 779395851 ADIOFLGAVPBCLO-INIZCTEOSA-N 425.323 4.365 10 20 IICD CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 779481998 ATZGHKWSVLXSNR-SOFGYWHQSA-N 434.458 4.253 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 782425182 QEGVPLNKOFVDBO-UHFFFAOYSA-N 429.879 4.306 10 20 IICD CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 785865341 SLWXVBAAVBJYMH-UHFFFAOYSA-N 435.490 4.363 10 20 IICD C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 792920810 CYIFKJDPMHXPHQ-HNNXBMFYSA-N 435.490 4.280 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1c(S)nc2ccccc2c1=O 799717434 FEUCTEYGXZIORA-KRWDZBQOSA-N 445.544 4.181 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cc2)CC1 801014998 JKPZMRKXUYUFEA-VWLOTQADSA-N 444.620 4.369 10 20 IICD CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801909989 JUPZDCXWWVXXBM-UHFFFAOYSA-N 441.963 4.100 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2sc(C)nc2cc1OC 802610841 UVTKJDORFMMSQG-UHFFFAOYSA-N 427.526 4.086 10 20 IICD Cc1cc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)C)c(C)n1-c1ccccc1 802662226 LKLARANCMRKTGI-UHFFFAOYSA-N 434.588 4.100 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 803029615 AMORCHFICSJPTF-PGRDOPGGSA-N 435.545 4.443 10 20 IICD C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 805167375 DVIYEUBJBJIMRO-IPMKNSEASA-N 435.543 4.483 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1F 806771277 CDUPFBSMHUQOLF-RBUKOAKNSA-N 431.577 4.382 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811703650 YKENVJLEEGRHBY-AWEZNQCLSA-N 443.949 4.185 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815104667 QMXVPUPZVKFQGM-UHFFFAOYSA-N 448.445 4.398 10 20 IICD COc1ccc2c(c1)c1c(n2Cc2nc(-c3cn(Cc4ccccc4)nn3)no2)CCCC1 904772953 YSPDJIZBBWJCPS-UHFFFAOYSA-N 440.507 4.267 10 20 IICD C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCO)c2C1 914531431 RHYPYJMDZBCTIJ-CIJMEZBMSA-N 429.564 4.488 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1OC 914578316 USMBQLRRPTUENS-UHFFFAOYSA-N 434.514 4.256 10 20 IICD CC(C)n1ncc2cc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cnc21 916681002 FFBUKQWISUKVRO-IYBDPMFKSA-N 440.523 4.087 10 20 IICD c1ccc([C@H](CNCc2ccc(N3CCOCC3)cc2)N2CCc3sccc3C2)cc1 916834735 WUIQHKMJAMBCKM-VWLOTQADSA-N 433.621 4.474 10 20 IICD Cc1cc(C(=O)CN2CCC(CC(=O)N3CCCC3)CC2)c(C)n1-c1cccc(F)c1 917119968 NUGJNXWUCKLBQN-UHFFFAOYSA-N 425.548 4.140 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 919765445 AUVUHQFJQOADAW-UHFFFAOYSA-N 438.531 4.306 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OCC(F)(F)F)c1 919907164 BJKPQERXPJGNKD-UHFFFAOYSA-N 441.425 4.234 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 920482132 JXWOJXJVXXAALV-UHFFFAOYSA-N 437.370 4.254 10 20 IICD COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 1116102137 KAUBBYOGFGCGFK-UHFFFAOYSA-N 448.476 4.083 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCc1cnn(C)c1 1318058484 VAMUDRPDIAYKGP-FQEVSTJZSA-N 445.489 4.457 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(Cn3cccc3)cc2)c1 1338592963 VRFNULQGGUYSFA-UHFFFAOYSA-N 438.531 4.281 10 20 IICD O=C([C@@H]1C[C@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738941 YOYUHXKZHWRYJZ-NSHGMRRFSA-N 446.975 4.031 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 18215288 VONKVVYCQNADAV-UHFFFAOYSA-N 437.565 4.100 10 20 IICD Cc1cc(C(=O)NCCCS(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 195712210 WUWPJYMCDJKFPO-UHFFFAOYSA-N 430.957 4.341 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1F 236965594 BGYLOMNERCUGQR-OALUTQOASA-N 427.564 4.211 10 20 IICD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 248108836 JLOAAKPCTMCGMW-AZGAKELHSA-N 447.579 4.224 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(C4SCCS4)cc3)cc2F)CC1 303338974 VPTYWJDKLDQBFY-UHFFFAOYSA-N 445.629 4.376 10 20 IICD C[C@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(N2CCOCC2)cc1 726145412 DDAJVJIZSCRZOK-AWEZNQCLSA-N 429.492 4.416 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)CC2)cc1 726564010 XPZVRGZDBHBSAV-UHFFFAOYSA-N 430.552 4.077 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)cn1 727252470 DPNIHKIEKJRPHL-UHFFFAOYSA-N 440.550 4.406 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)CC2)cc1 730384518 OXRGYZILFOALTO-UHFFFAOYSA-N 437.569 4.227 10 20 IICD CCc1cc(CN2CCC(CC(=O)N3CCN(CC)CC3)CC2)c(O)c(C(C)(C)C)c1 731208562 DFEKSBPFHSXYBA-UHFFFAOYSA-N 429.649 4.018 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1)c1ccccc1 741081945 BFFHWGZUPCGFGG-RUZDIDTESA-N 446.595 4.047 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(NC(=O)C(C)C)ccc3Cl)CC2)cc1 741543027 AMIAOWBXNWTXNL-UHFFFAOYSA-N 429.948 4.296 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 741899519 QJGTUFLFLPGSLW-UHFFFAOYSA-N 432.499 4.442 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc(OCc4noc(C5CC5)n4)cc3)ccc21 743159599 VKJRGDHWMZANET-UHFFFAOYSA-N 433.512 4.230 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1c1ccccc1 743555066 PCNCARSGSCBKNB-IERDGZPVSA-N 433.474 4.445 10 20 IICD CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cc(Br)ccc1O 744425665 IUVDVGPBXDUPNV-UHFFFAOYSA-N 436.306 4.222 10 20 IICD Oc1ccc2cc(Br)ccc2c1CN1CCC(OCCN2CCCC2)CC1 744440274 DTBNWGKJSSJYRU-UHFFFAOYSA-N 433.390 4.385 10 20 IICD COCCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903334 GYTVLLXQDJNCBI-IBGZPJMESA-N 433.499 4.115 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCN(c2ccccc2)CC1 745903522 JUMIQNNETKVIQH-IBGZPJMESA-N 444.526 4.179 10 20 IICD C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751425542 JFGOQABTTASLJY-MAUKXSAKSA-N 442.562 4.273 10 20 IICD CSc1c(F)cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F 752873085 LGMSLVBJIDXVLS-UHFFFAOYSA-N 425.476 4.109 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)c3sc(N4CCCC4)nc3Cl)ccc21 754548353 CXEYRCKZRSGIDR-UHFFFAOYSA-N 437.908 4.424 10 20 IICD C[C@H](NC[C@@H](O)COc1ccccc1Br)c1cc(Br)ccc1O 756760437 OZOWMKKCROCYNL-WCQYABFASA-N 445.151 4.008 10 20 IICD COc1cc(N2CCN(C(=O)c3oc4c(C)ccc(C)c4c3C)CC2)cc(OC)c1OC 759226104 VKFJKMOMUSPIMH-UHFFFAOYSA-N 438.524 4.346 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cn2cc(Br)cc(C)c2n1 760146160 IGSNFPKKZWCPLI-UHFFFAOYSA-N 444.377 4.203 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 761965212 VQYRSOZHPJYOPZ-UHFFFAOYSA-N 431.496 4.033 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(N4CCOC4=O)cc3)cc2F)C[C@@H](C)O1 765118175 JYEKIBBXNDJULF-KSZLIROESA-N 427.520 4.247 10 20 IICD Cc1ccc(C)c(-n2ncc([C@@H](C)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C)c1 765245452 PQLPNUSKCXUXKL-OFNKIYASSA-N 445.611 4.350 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCc4ccc(OC(F)(F)F)cc43)cc2)C1 765256070 SMCDDACDIIYMPD-LAUBAEHRSA-N 433.474 4.064 10 20 IICD COc1cc(Br)cc(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)c1O 769532669 JXFOSNBYYPLBJG-KRWDZBQOSA-N 430.346 4.486 10 20 IICD C[C@@H](NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc(N(C)C)cc1 770586101 YNFMLHGHIVEVHM-OAHLLOKOSA-N 442.361 4.261 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cc(F)ccc1[N+](=O)[O-] 771370716 NWVBSFORTXSVDI-UHFFFAOYSA-N 448.498 4.351 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 771763238 CQVVEWMLKVZVOM-UHFFFAOYSA-N 438.406 4.366 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ccccc2OC)cc1 771855106 HECYNOJNPSQTPG-MHZLTWQESA-N 431.580 4.335 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl 773096177 BNLGEGOKZOIRCU-ROUUACIJSA-N 437.005 4.080 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 774923905 OZLFPRUODXVKSN-MRXNPFEDSA-N 435.490 4.387 10 20 IICD OCC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)cc2)CC1 781421324 PVSFKQNFEUYPTP-BIYCFNCWSA-N 433.640 4.286 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12)c1ccc(N(C)C)cc1 792359687 TZWVSFPSLOVJGH-SFHVURJKSA-N 445.567 4.107 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2cc(F)cc(Br)c2)CC1 795330101 WHRQFODTNXOJFC-UHFFFAOYSA-N 449.389 4.489 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)c1ccc(Br)s1 801550410 ZGCCIEYAPJYSKU-UHFFFAOYSA-N 439.375 4.117 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1 801993152 NTJZCPZJTRLDMU-JOCHJYFZSA-N 449.599 4.339 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C1(S(=O)(=O)c2ccccc2)CCCCC1 813409204 IESSIQTXUORGKZ-UHFFFAOYSA-N 426.582 4.080 10 20 IICD C[C@@H](CCc1ccco1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914439626 JXRXWCLRHPBZBS-DLRWLJPMSA-N 434.608 4.460 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3F)sc2C)cc1 914789492 BKBORLHEPQQUHO-UHFFFAOYSA-N 435.502 4.025 10 20 IICD O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccc(N2CCCC2)cc1 915082729 YVYIVCACSWNRFU-UHFFFAOYSA-N 427.957 4.201 10 20 IICD CC[C@H]1c2ccsc2CCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917020614 IMROAYSNGWRZML-FVJLSDCUSA-N 445.604 4.126 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 917514870 IYVSHYYUCCKTIY-UHFFFAOYSA-N 443.532 4.266 10 20 IICD COc1ccc(N2CCCN(C(=O)C(C)(C)c3ccc(Br)cc3)CC2)cc1 917822353 YZBXSFILMPSYOZ-UHFFFAOYSA-N 431.374 4.474 10 20 IICD Cc1ccccc1OCCCN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918080957 IHCNLTZTADHTOY-PMACEKPBSA-N 443.563 4.358 10 20 IICD C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(N2CCOCC2)cc1 920882686 WKDCSLUOFUIOTK-SFHVURJKSA-N 447.510 4.406 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 921076720 JCHZAHPURRLVML-LJQANCHMSA-N 430.543 4.479 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2c1 1116341281 YQJCOTPFXDYFGO-UHFFFAOYSA-N 447.457 4.270 10 20 IICD CCn1c(Cc2ccccc2Cl)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1341041249 TVZNDYPGEXXFKA-UHFFFAOYSA-N 429.927 4.017 10 20 IICD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)ccn1 1800513611 NWFDZZFNXICWKR-RHHYMUMYSA-N 442.563 4.363 10 20 IICD C[C@@H](NC(=O)NCCOc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cc1 726237684 CQSCZMAUKQJKSD-OAHLLOKOSA-N 438.355 4.269 10 20 IICD C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc2ccccc2[nH]1 726708941 SLLIETCVJJZVIR-CQSZACIVSA-N 429.471 4.194 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc21 728637162 INDSEWZGPBAUMK-HNNXBMFYSA-N 430.451 4.367 10 20 IICD C[C@H](NC(=O)N1CCC(c2ccc(F)c(F)c2)CC1)c1ccc(N2CCOCC2)cc1 729226962 SPEMUIJWPPTUAA-KRWDZBQOSA-N 429.511 4.452 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 729536375 ZZEDLZRGCVIRLY-OPAMFIHVSA-N 449.507 4.170 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCc2ccc3nc(O)[nH]c3c2)cc1 731989443 CYTFFBRLAUYFBF-UHFFFAOYSA-N 434.462 4.248 10 20 IICD CCN(CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccc(C(F)(F)F)cc1 734067837 SXBQSHYLAIJREJ-IBGZPJMESA-N 439.478 4.302 10 20 IICD O=C(c1c[nH]c2ccc(Br)cc12)N(Cc1ccccc1O)C[C@H]1CCCO1 735519111 OMCHEQCNHWIRGV-MRXNPFEDSA-N 429.314 4.457 10 20 IICD CC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccncc1 741584942 HCRWCOAVJTXIBL-MUBYSKIDSA-N 431.608 4.392 10 20 IICD CC(C)c1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1-c1ccccc1F 742048002 LPARDTHWSIDCLE-UHFFFAOYSA-N 439.560 4.013 10 20 IICD COc1ccc(Cl)cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752519 HECJMWOCDHTGED-IBGZPJMESA-N 447.963 4.410 10 20 IICD COc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743579606 RHOUXMOULHBKJP-HNAYVOBHSA-N 447.482 4.088 10 20 IICD CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NCc2ccccc2O)c(Cl)cc1Cl 748349892 KHEUCPOZLUEFLB-GFCCVEGCSA-N 445.368 4.096 10 20 IICD COc1ccc2cc(/C=C\C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2c1 749407607 UVXLAKLOSAVZQU-WTKPLQERSA-N 434.511 4.278 10 20 IICD COCCN(Cc1nc(-c2cccc(Br)c2)no1)c1ccc(OC)c(OC)c1 751481820 KFPQDNMSFHVRCS-UHFFFAOYSA-N 448.317 4.169 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(OC)c1 752125624 JYBVQHZLHDHQBZ-UHFFFAOYSA-N 425.510 4.093 10 20 IICD O=C(Nc1cccnc1-c1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 755061190 ANQGXKKTFLDHHQ-UHFFFAOYSA-N 427.460 4.215 10 20 IICD C[C@H]1CN(C(=O)c2ccc(CN[C@H](C)c3ccc(Br)cc3O)cc2)C[C@@H](C)O1 756480347 VGEARRCTFVHPKK-OWCLPIDISA-N 447.373 4.255 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C(F)F 758512289 WUXOWANBEIZHNT-GASCZTMLSA-N 438.494 4.159 10 20 IICD COc1ccc(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1Cl 760570340 NHZFICQLDXAZNF-UHFFFAOYSA-N 428.838 4.188 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 760821253 ZGKYAIJGQXRUMN-KRWDZBQOSA-N 433.574 4.054 10 20 IICD C[C@@H]1N(Cc2c(O)ccc3ccc(O)c(CN4CCOC(C)(C)[C@H]4C)c23)CCOC1(C)C 763210205 GLJDHZUOKRJFDI-HDICACEKSA-N 442.600 4.250 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCC(N(C)C)CC4)cn3)c2C)cc1 763758753 WQENYHMXSMJZBT-UHFFFAOYSA-N 447.583 4.280 10 20 IICD C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642048 PCHMNALTCAUMTL-OAHLLOKOSA-N 448.470 4.172 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(-c4nnc(N(C)C)o4)cc3)cc2)CC1 767873041 SKIVTEOXHNWIFS-UHFFFAOYSA-N 434.544 4.361 10 20 IICD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 768069317 QCVISLPCTWBCNA-UHFFFAOYSA-N 435.499 4.266 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Br)c(F)c1 768509126 PTMGFZFKLWYRGQ-YOEHRIQHSA-N 434.353 4.141 10 20 IICD CC[C@H](C)n1c(SCC(=O)NCc2cccc(OC)c2O)nnc1-c1ccccc1 769504414 YAJIEESHFIXYCN-HNNXBMFYSA-N 426.542 4.039 10 20 IICD Cc1cc2c(N3CCC[C@H]3C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ncnc2s1 770480186 JVVUAMUTJZEOLE-NRFANRHFSA-N 435.597 4.226 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(COCc2ccco2)c1 771878879 AAWZPAAFDXOEEP-UHFFFAOYSA-N 426.856 4.324 10 20 IICD CC(C)(C)[S@@](=O)Cc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 772043548 OHFLKBMEDTWIDX-LJAQVGFWSA-N 434.945 4.062 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2cncnc2)cc1F 775878970 GAZAEFFUKCNIHH-LJQANCHMSA-N 440.906 4.036 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(OC)c1Br 776022376 CYFFZEYXTRENDY-UHFFFAOYSA-N 432.318 4.164 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)CC(C)(C)C)cc1 778776974 UQLMUHJSZCDHQT-SFHVURJKSA-N 425.573 4.235 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 784024825 UYWZJCNISTZXJE-UHFFFAOYSA-N 434.540 4.388 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(CSC)cc1 785192751 OZJBQQWQYPRJFB-UHFFFAOYSA-N 437.359 4.005 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 785432363 AZKCHYMPYYYWFV-XMMPIXPASA-N 447.604 4.215 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O 786010465 LZNRXYRPNFNFBM-QFIPXVFZSA-N 447.539 4.480 10 20 IICD C[C@H](NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1ccc(N2CCOCC2)cc1 788715661 ZVNFLSCHEQXYMU-HNNXBMFYSA-N 441.482 4.085 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCC3)cc1)C1CCCCC1 789409366 RJCSGOFVZFPYPG-UHFFFAOYSA-N 426.586 4.046 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 790465881 JGXSHRJFKGIBOM-UHFFFAOYSA-N 439.556 4.324 10 20 IICD CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2 792317014 JTLFONFGNYBADL-OAQYLSRUSA-N 430.512 4.492 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 792881252 FQKACIWCQGUZFV-AQYVVDRMSA-N 427.976 4.294 10 20 IICD CN(C)C(=O)COc1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796265295 GRCYVLWHLDZTDK-UHFFFAOYSA-N 429.564 4.006 10 20 IICD COc1ccccc1-n1nccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 797397869 HTKSFMXGNHGCTG-YBFXNURJSA-N 437.502 4.015 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1F 800636026 DKKCNCIFTMGZOQ-OAHLLOKOSA-N 447.938 4.369 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncccc4c3)cc2Cl)C1 800636321 JFKUNZWBNPLETC-MRXNPFEDSA-N 436.943 4.379 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)s2)NC(=O)OC(C)(C)C)cc1 801162445 STDNOHJASIRAGL-QGZVFWFLSA-N 437.993 4.392 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 801627838 CGFQBIZAWUQZCX-UHFFFAOYSA-N 433.574 4.303 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1C 802609702 HXDDNFJAJVHHPJ-UHFFFAOYSA-N 441.597 4.021 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)cc2)CC1 805022949 JIEBZSUWQPEGFJ-JTHBVZDNSA-N 437.559 4.131 10 20 IICD CNC(=O)Cc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 913102793 YNZMTBIEDPSBED-QFIPXVFZSA-N 441.491 4.135 10 20 IICD CN(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C1CCCC1 914447779 XSEIUHRXDWKVAI-GDNBJRDFSA-N 439.400 4.051 10 20 IICD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 914793598 XTUNDBSDMUEXHZ-UHFFFAOYSA-N 441.437 4.429 10 20 IICD CN(C)Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 918561622 DBCLGOOXCRCZLC-AQTBWJFISA-N 445.635 4.430 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2ccc3c(c2)OCCO3)cc1 919653980 CSMLGWCEAUHGFW-UHFFFAOYSA-N 435.524 4.071 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)c1C 919859486 IEKRWOKXLLKRDU-UHFFFAOYSA-N 431.536 4.436 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1COc1ccccc1 919970511 IBPMGVXEZKOWKV-UHFFFAOYSA-N 434.511 4.296 10 20 IICD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 40945901 JAXHDIIXGWJYOF-UHFFFAOYSA-N 440.300 4.282 10 20 IICD COC(=O)Cc1csc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1 72023020 PVCZXCIKXXDPQI-UHFFFAOYSA-N 448.342 4.281 10 20 IICD C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 726243236 IEMCGYYOXKWSMU-DLBZAZTESA-N 446.389 4.277 10 20 IICD COCCOc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1 726696483 WWVBVFNWQCLWKZ-UHFFFAOYSA-N 449.498 4.412 10 20 IICD Cc1ccc(-c2nc(CCNC(=O)NCc3ccc(N4CCSCC4)cc3)co2)cc1 726706559 MWGKSQDZLACGLP-UHFFFAOYSA-N 436.581 4.245 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 729046796 JCLGBUMCVGUDQK-KUHUBIRLSA-N 435.927 4.391 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 730389771 CESUGJBSOKWUBW-LJQANCHMSA-N 437.500 4.166 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1F 731403172 FBJBCMMYCMZVHF-INIZCTEOSA-N 428.508 4.189 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1ccc(Cl)cc1Cl 732241500 KMVHBCLWYDYWKB-IBGZPJMESA-N 440.396 4.079 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccnc1Oc1cccc(C)c1C 734704299 YZHABCQGVSOIEX-UHFFFAOYSA-N 432.524 4.120 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 742245940 PYAQOONIMDUJKP-ZIAGYGMSSA-N 444.576 4.067 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1c1ccccc1 743555068 PCNCARSGSCBKNB-KKSFZXQISA-N 433.474 4.445 10 20 IICD COc1cccc(CN(CC(C)C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 746217552 DRYGKKWQNFIVGX-HXUWFJFHSA-N 425.573 4.461 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1C 746361826 LIOKSDROLPWBSM-LICLKQGHSA-N 431.510 4.400 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)n2)c[nH]1 747750495 UYRMAKQZFMFGHD-UHFFFAOYSA-N 425.557 4.085 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 748674858 OYVYCCPPIIYSHM-UHFFFAOYSA-N 427.551 4.300 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cc(C)c(C)cc4C)cs3)ccc21 748695254 QUMRRXYLYHOZEY-UHFFFAOYSA-N 441.578 4.445 10 20 IICD COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)cn1 748756252 YIZSOSOYPYGUEW-UHFFFAOYSA-N 441.491 4.397 10 20 IICD C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 751356267 RIHHRNJWPKGHRP-WBVHZDCISA-N 440.455 4.388 10 20 IICD Cc1cc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Br 751379792 ULWAIFNYZSVGIC-UHFFFAOYSA-N 449.364 4.107 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1ccco1 756337820 XLZFHCDETCKTQJ-QHCPKHFHSA-N 434.536 4.195 10 20 IICD Cc1cc(-c2csc(NC(=O)c3cccn4c(O)nnc34)n2)c(C)n1-c1ccc(F)cc1 757721826 QGQLUFCALXRFFC-UHFFFAOYSA-N 448.483 4.357 10 20 IICD O=C(NCCCSc1nccs1)NCCOc1ncc(C(F)(F)F)cc1Cl 759585603 USANWZBKFHMQIT-UHFFFAOYSA-N 440.900 4.071 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 759863153 WDFODOLCGAQVDY-UHFFFAOYSA-N 434.418 4.276 10 20 IICD C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 760375108 DSUMPXABAWKEQC-INIZCTEOSA-N 428.495 4.286 10 20 IICD CN1CC[C@H](CNC(=O)NCCCSc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 763027303 ADULVRQTOWEGPT-PBHICJAKSA-N 443.013 4.410 10 20 IICD Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 764865608 ZASGGCLSNNDHFQ-XMMPIXPASA-N 426.601 4.001 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 773744384 AQQSWJKZSWDSIN-AWEZNQCLSA-N 433.439 4.315 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 773760629 JGFIUAOAQHDEET-VQIMIIECSA-N 428.529 4.191 10 20 IICD CCOC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccc(OC)c(Br)c1 779177405 AFEGWBINHFZVKR-INIZCTEOSA-N 428.710 4.211 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1F 779569625 CYKSXRQFKADTDT-UHFFFAOYSA-N 435.490 4.143 10 20 IICD O=c1cc(CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)nc2sccn12 780884417 BDOZUZZXPTWBPF-DAXSKMNVSA-N 431.517 4.247 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784059216 GXVRTENXQVFFRL-UHFFFAOYSA-N 431.540 4.376 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2Cl)C1 800050097 MZUVCCXVZZZRFS-MRXNPFEDSA-N 441.959 4.156 10 20 IICD O=[N+]([O-])c1cc(CNC[C@H](O)c2cccc(Br)c2)ccc1N1CCCCC1 800288883 CCKADZFBBJXWAQ-FQEVSTJZSA-N 434.334 4.171 10 20 IICD Cc1cc(-c2nnc(N3CCN([C@@H](C)c4nccs4)CC3)n2C)c(C)n1-c1ccccc1 800766743 SZWDAGLUVWFHSU-IBGZPJMESA-N 447.612 4.229 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 807914198 DIJJWQLELYHVJL-FPOVZHCZSA-N 447.501 4.182 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 808355530 KHGKXNXNFCLTBA-LJQANCHMSA-N 431.536 4.460 10 20 IICD CC[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1O 810225819 NMLCTKXEAJXXLG-NRFANRHFSA-N 449.517 4.478 10 20 IICD C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc2c(cc1O)CCCC2 810254448 HGMFFZZZJJLBIS-KRWDZBQOSA-N 433.552 4.491 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc(OC)c1C 815590645 DIBIKODSFUVFOI-KRWDZBQOSA-N 433.508 4.327 10 20 IICD COc1ccc(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 914046486 MOCVEFDBOBOYTQ-NBVRZTHBSA-N 446.619 4.097 10 20 IICD COC(=O)c1c(NC(=O)CCn2ccnn2)sc(C)c1-c1ccc(Cl)cc1Cl 914527786 WQCZBKWWLJHWDB-UHFFFAOYSA-N 439.324 4.437 10 20 IICD CN(C)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 916041134 PNMVSVWGUXGKOP-UHFFFAOYSA-N 442.313 4.290 10 20 IICD O=[N+]([O-])c1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1N1CCCCC1 916835590 SINQNHVXYMERFW-UHFFFAOYSA-N 426.586 4.428 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cc3nc(O)c4cc(C)sc4n3)c2C)cc1 917268373 SIZXYUAZYVLVOF-UHFFFAOYSA-N 435.505 4.325 10 20 IICD COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Br 920880393 IEPSSQDYXJTMKW-INIZCTEOSA-N 447.373 4.104 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCOc1cc(Cl)ccc1Cl 1251206346 OCTDDGMRFYMQQQ-UHFFFAOYSA-N 439.339 4.030 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 21412681 IQWZCTQACVJLBK-UHFFFAOYSA-N 443.538 4.322 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 107717257 BGMICBXNYKCKPW-UHFFFAOYSA-N 426.992 4.404 10 20 IICD COc1ccc(N2CCC(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)CC2)cc1 110356015 QHQQMLQHROZAGW-UHFFFAOYSA-N 434.536 4.484 10 20 IICD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 116034534 QKCWDVXEPXTNBZ-KRWDZBQOSA-N 429.561 4.193 10 20 IICD COc1ccc(CN2CCCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)cc1 303204850 PJEKASNLYZYMPS-UHFFFAOYSA-N 442.563 4.323 10 20 IICD C[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccc(N2CCOCC2)cc1 727710529 OSTCPJFKWSKRIW-QGZVFWFLSA-N 434.540 4.362 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2)CC1 731048047 DWEWMRAENNCAHI-QHCPKHFHSA-N 429.511 4.484 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2sccc2NC(=O)c2ccncc2)cc1F 731347054 KUROVSJXINNKPD-UHFFFAOYSA-N 426.517 4.311 10 20 IICD O=[N+]([O-])c1cc(CNCc2ccc(OCCN3CCCC3)cc2)ccc1N1CCCCC1 732230890 TWTJBYONRWXPEK-UHFFFAOYSA-N 438.572 4.350 10 20 IICD CCOc1cc(CNCc2cccc(OC)c2O)cc(Br)c1OC(F)F 733900819 KMXOBQJHOZBNME-UHFFFAOYSA-N 432.261 4.453 10 20 IICD Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 734739446 CIORMUUWUUSQDJ-UHFFFAOYSA-N 435.531 4.222 10 20 IICD Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 734739669 HZXHZOKVLZAHBI-UHFFFAOYSA-N 442.570 4.191 10 20 IICD CC(C)n1ncc2c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc(C3CC3)nc21 735517993 PIQGNMABRPNNGW-LJQANCHMSA-N 434.540 4.417 10 20 IICD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735520073 VTTGTLVVOYZESW-QGZVFWFLSA-N 434.323 4.097 10 20 IICD CO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(Cl)cc1 743555406 XVWXAEXOIMYJAN-PONJGIIJSA-N 449.954 4.280 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 743807583 FDAYKHJYAKGOKT-IBGZPJMESA-N 434.330 4.375 10 20 IICD COc1ccc(Cl)cc1NCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 743861949 XEIOUASRELGDTK-IYBDPMFKSA-N 449.954 4.220 10 20 IICD COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1 746125652 CLOPWYUQSQDNAZ-QGZVFWFLSA-N 435.490 4.056 10 20 IICD C[C@H](CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1 751060714 OKZPREZJYWADGH-OAHLLOKOSA-N 430.551 4.130 10 20 IICD CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 751408123 YFMTULQNVKNZOD-QHCPKHFHSA-N 438.572 4.104 10 20 IICD CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 753043879 SQQMXIONIAAFCX-MEMLXQNLSA-N 439.579 4.021 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 756423717 QYHKGHOAPFAQSE-SFHVURJKSA-N 432.520 4.268 10 20 IICD CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 757621674 AIEFPOAOWAXXKV-AEFFLSMTSA-N 445.551 4.358 10 20 IICD COc1ccc(C[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 758494496 QLUKWXBSECCOGM-MRXNPFEDSA-N 436.474 4.046 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(SC(C)C)cc3)CC2)cc(OC)c1OC 759223025 ZSICUSJLDFOOJX-UHFFFAOYSA-N 430.570 4.175 10 20 IICD Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 759910819 PJCGOCZMZMLVKU-UHFFFAOYSA-N 440.559 4.401 10 20 IICD Cc1oc2c(CN3CCC(O)(C(F)(F)F)CC3)c(O)ccc2c(=O)c1-c1ccccc1 760286301 YUMDYMXOGFMELE-UHFFFAOYSA-N 433.426 4.363 10 20 IICD COc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765276591 LPNWBYXFPGAVDF-XMMPIXPASA-N 447.558 4.118 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2ccccc2n1 765276673 MXIYUHOTSRVRNK-LJQANCHMSA-N 442.542 4.341 10 20 IICD C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 765403069 QLLKHFRNALEICP-OAQYLSRUSA-N 441.591 4.378 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 765899295 VTRPTRVTOGLVRZ-KBXCAEBGSA-N 434.418 4.202 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(F)cc2Br)SC1=S 767718659 XETYJJVHLPLJTK-MDWZMJQESA-N 432.336 4.434 10 20 IICD C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 768713881 SWPUWZITNJKLFR-IBGZPJMESA-N 441.547 4.114 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CN[C@H](c1ccccc1)C(F)(F)F 769291285 LNWCUNZBYKBYHL-GOSISDBHSA-N 445.279 4.396 10 20 IICD COc1ccc(-c2nnc(NC(=O)NCc3ccc(N4CCSCC4)cc3)s2)cc1 775834040 JHVISZLCYIPGNC-UHFFFAOYSA-N 441.582 4.089 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](CCc3ccccc3)C(F)(F)F)CC2)cc1 778774235 FCVFPWUZNPFOQH-OAQYLSRUSA-N 435.490 4.481 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccccc2CN2CCC[C@@H]2CO)c1O 779050968 SILMYBVXFVXZLQ-OXJNMPFZSA-N 433.390 4.271 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccc(Br)cc1 779073773 QJOXEPPIJQJTBT-AZUAARDMSA-N 445.357 4.067 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccnn2Cc2ccccc2Br)cc1 779465832 KXTULPIUOCYKFR-UHFFFAOYSA-N 428.334 4.082 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3cccnc23)cc1 782424965 LLSPNBAHPMLYLV-UHFFFAOYSA-N 428.492 4.061 10 20 IICD CCOc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)ccc1OC 783484543 FFUDMXRLHZZQGB-QGZVFWFLSA-N 433.508 4.409 10 20 IICD Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 784109651 WVGPABLCTKCCMR-CNNODRBYSA-N 435.572 4.297 10 20 IICD CN(C)c1ccc([C@H](CNc2nccc(C(F)(F)F)n2)NC(=O)OC(C)(C)C)cc1 795227384 MMBOFZXMDVTCID-HNNXBMFYSA-N 425.455 4.239 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)C2CC2)cc1 797428653 QYYAJZHGXMSDEK-UHFFFAOYSA-N 444.572 4.413 10 20 IICD COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1NC(=O)OC(C)(C)C 797612696 JEQGSSOOFZLRDI-ZDUSSCGKSA-N 431.489 4.206 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@@H](OC)C[C@H]2C)sc(C)c1-c1ccccc1 799344807 IGFVJNAASDVMFO-CRAIPNDOSA-N 430.570 4.338 10 20 IICD CNC(=O)CNC(=O)c1cccc(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 800312745 QATBWCRFISUHEK-UHFFFAOYSA-N 425.573 4.075 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 808804330 BDZBVSYMQXUCCK-QGZVFWFLSA-N 441.557 4.428 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(Cc2ccccc2Br)CC1 814103295 NODQXAQJRSJLQE-UHFFFAOYSA-N 443.385 4.267 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 916447878 HILRIPSWAAVSJD-LJQANCHMSA-N 431.536 4.243 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918219689 NDPJIOYEUNRUFR-QZTJIDSGSA-N 429.536 4.180 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 918306748 FRTZYVGVUOJJBZ-UHFFFAOYSA-N 437.540 4.171 10 20 IICD CC1CCN(Cc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 918455854 FRDSATIIRCEEPP-UHFFFAOYSA-N 448.611 4.114 10 20 IICD Cc1cc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1cccc(Cl)c1 919981879 AXPPGTGLGUDSDW-QHCPKHFHSA-N 436.899 4.054 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3C)n2)cc1 1318195115 JCRCFDWKKWSUJM-UHFFFAOYSA-N 435.958 4.209 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cn(C)nc3-c3ccc(Cl)s3)CC2)cc1 1321813923 NHENEFBNVCWLOK-UHFFFAOYSA-N 430.961 4.163 10 20 IICD CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790776502 FKBHIZAZBSBZLQ-CQSZACIVSA-N 446.931 4.312 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)cc1 110465133 GADWCBUHPZYKKE-UHFFFAOYSA-N 448.894 4.315 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCCN(C)C 303185622 ZCMPGCCZXXPKDU-UHFFFAOYSA-N 439.531 4.112 10 20 IICD Cc1c(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)n(C)c2ccccc12 473271172 RJLOROOQSMEMNM-UHFFFAOYSA-N 425.941 4.401 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 729052028 DJWQFLFXEYKRJD-AWEZNQCLSA-N 435.471 4.031 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 730109009 AAFHHDZEKPXXEZ-IBGZPJMESA-N 426.319 4.482 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1F 732918330 FCNUTVSHEVMAMC-INIZCTEOSA-N 427.474 4.071 10 20 IICD COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(N4CCCCC4)=NC3=O)cs2)cc1 733781956 OARHQAZKFDMXJX-LDADJPATSA-N 442.566 4.293 10 20 IICD c1ccc(-c2cnc(SC[C@@H]3CN=C(N4CCOCC4)S3)n2Cc2ccco2)cc1 735414363 OZHLRESMXQAPOB-IBGZPJMESA-N 440.594 4.087 10 20 IICD COc1cc(N(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 741798916 NLHGHXLGMZKOQY-UHFFFAOYSA-N 427.328 4.114 10 20 IICD C[C@@H](CCc1cccn1C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 741992964 JDYXEGWBTZHEPB-LSVCFVEQSA-N 447.651 4.206 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N3CCn4c(CCc5ccccc5)nnc4C3)c2C)c1 742188582 WSQAAQSETOZBKA-UHFFFAOYSA-N 439.563 4.435 10 20 IICD CN(C)c1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1 742385215 STQGSLQHFCMCMO-HSZRJFAPSA-N 430.520 4.314 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC[C@H](C)Sc3ccccc3)cc2F)C[C@@H](C)O1 743555244 SZBBQLIFEWSEPZ-KSZLIROESA-N 431.577 4.419 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c(C2CC2)c1Br 743808557 XISXJRKHGCFZFP-UHFFFAOYSA-N 443.139 4.180 10 20 IICD CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 745837037 JIPPSUPGUUBRCF-DEOSSOPVSA-N 440.538 4.320 10 20 IICD CCCCCn1nc(C)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 748808264 PJNLAGFCEOHMLU-UHFFFAOYSA-N 446.463 4.318 10 20 IICD O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)Nc1ccc(N=Nc2ccccc2)cc1 752157948 ZVPOTTDLTWDVBH-SFHVURJKSA-N 444.538 4.120 10 20 IICD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 755740843 ABFULKNKILJUPR-IBGZPJMESA-N 434.544 4.262 10 20 IICD C[C@H](N[C@H]1CCCc2c1cnn2C)c1cc(Br)cc(Br)c1O 756400040 ADGSIJCFJFSGBJ-XPTSAGLGSA-N 429.156 4.379 10 20 IICD C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)cc(Cl)c1O 756510595 KMPTYOIJFOFTSG-LLVKDONJSA-N 432.767 4.204 10 20 IICD O=C(NCc1ccc(Br)cc1F)NCc1cccc(Br)c1O 764782477 ZVFDSDFPRIBEQQ-UHFFFAOYSA-N 432.087 4.056 10 20 IICD COC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 765288636 YZOMDEOTUIIMKB-FQEVSTJZSA-N 426.454 4.283 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 767247780 KHHMEGOPRWTDJM-UHFFFAOYSA-N 433.552 4.087 10 20 IICD Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccco3)Cc3ccccc3O)n2)cc1 768111019 WIMHHVCCWJCONA-UHFFFAOYSA-N 434.521 4.400 10 20 IICD Cc1cc(C(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)c(C)n1-c1ccccn1 772752625 DTCHZXAKVZLPDV-LJQANCHMSA-N 425.536 4.388 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 773740536 QGWDVINZUBRHSW-MRXNPFEDSA-N 433.533 4.432 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 773913198 KSMVEXWHUDCUFN-UHFFFAOYSA-N 449.517 4.025 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c2)CC1 781271753 PSIOAHSKLRPCDZ-UHFFFAOYSA-N 434.515 4.154 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 782780435 JXSJPKUQSLAOEM-UHFFFAOYSA-N 438.981 4.220 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 784025690 HAYSVXKMUOOGPT-UHFFFAOYSA-N 437.521 4.083 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 787463501 HTRAKGJCMSQADD-DLBZAZTESA-N 447.963 4.473 10 20 IICD CCCCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 789861063 PLENFWOQMIZQBD-QHCPKHFHSA-N 439.625 4.294 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1O 791880014 IZRXWOCSSNQOHZ-UHFFFAOYSA-N 435.196 4.384 10 20 IICD CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 792493774 MAQFPGPDUGZSFH-UHFFFAOYSA-N 436.961 4.001 10 20 IICD O=C1/C(=C\c2ccnn2-c2ccc(F)cc2)SC(=S)N1c1ccc2c(c1)OCO2 794861239 FNIWMYFXTASRJW-VCHYOVAHSA-N 425.466 4.146 10 20 IICD Fc1cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1N1CCOCC1 796516666 VMAVZWLMRIJHAE-JOCHJYFZSA-N 438.465 4.173 10 20 IICD CCn1ccnc1[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 797444858 JPDZFDGEMOYGOU-FQEVSTJZSA-N 447.530 4.410 10 20 IICD CCn1cc(-c2n[nH]cc2C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1 800571882 PECPBPIXGUNQGJ-HNNXBMFYSA-N 426.952 4.113 10 20 IICD CC1(C)CC[C@H](COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)O1 803273557 YEBYTWUYMQFCOI-LKKYZFDUSA-N 425.597 4.230 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C(C)C)oc3C)c2C)cc1 803911120 JWUIXTLYCMBJNT-UHFFFAOYSA-N 438.480 4.340 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(C)c(F)cc1Cl 807022849 TVBNDGAOCPALBK-UHFFFAOYSA-N 443.700 4.243 10 20 IICD CN(C)c1ccc([C@@H](CNc2nnc(-c3ccccn3)s2)NC(=O)OC(C)(C)C)cc1 808057507 ZOUHNUJQSMXQRH-GOSISDBHSA-N 440.573 4.344 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812425124 MOCPSSDFIAOBNI-LJQANCHMSA-N 432.528 4.014 10 20 IICD O=C(NCc1csc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916625892 RKWJIHXQYQEHSD-HNNXBMFYSA-N 425.348 4.107 10 20 IICD Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)cc1C 917608002 VGBCDYZYGXPALQ-CPNJWEJPSA-N 436.537 4.464 10 20 IICD CC(C)(C)C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 918117734 QPCOSZCWWRJUSO-GGAORHGYSA-N 436.600 4.365 10 20 IICD COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918221656 QTKUSLDZSGCZQU-HOTGVXAUSA-N 449.954 4.443 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 918311862 VXEMTHIBOFFTOM-UHFFFAOYSA-N 446.551 4.104 10 20 IICD Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 918455314 AAMYYMDULPKRMV-UHFFFAOYSA-N 444.373 4.262 10 20 IICD C[C@@H](NC(=O)CCCOc1ccccc1Br)c1ccc(N2CCOCC2)cc1 920882049 LBUPXXZUFXXXNL-QGZVFWFLSA-N 447.373 4.322 10 20 IICD C[C@H](NC(=O)CCCOc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 920882562 YJVNEVIQIXAHKG-KRWDZBQOSA-N 447.373 4.322 10 20 IICD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 921244710 MMEXOTUEFBDTAZ-XMSQKQJNSA-N 443.975 4.263 10 20 IICD COC(=O)C[C@](C)(NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccccn1 1116686085 LJAMYQSUNGYBDL-QHCPKHFHSA-N 425.916 4.351 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H]1C[C@H](C)c3c(C)ccc(O)c31)CC2 1254730862 YMPWWRZFKMSSTM-PXNSSMCTSA-N 438.568 4.221 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(F)F)CC3)cc1 1823438251 GFPJVRLINFHZGV-HNNXBMFYSA-N 444.507 4.042 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825779510 TWOGCFAIJBIPEW-KRWDZBQOSA-N 448.972 4.360 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c(C)n1-c1ccccn1 303674731 QCASMTIOSLPZHR-QGZVFWFLSA-N 426.467 4.099 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCC(F)(F)F)cc1 726236645 PFIOLPSJPBVESB-MRXNPFEDSA-N 437.462 4.025 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(C)n1-c1nccs1 726627896 SFTUYBHXYBVYBF-MHWRWJLKSA-N 440.575 4.055 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3c3nc4ccc(C)cc4[nH]3)CC2)cc1 726713139 KGIVKMANWNAEHL-QHCPKHFHSA-N 433.556 4.395 10 20 IICD CC(=O)N[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccc(C)cc1 728838917 ANXMYMLNABKSIF-OAQYLSRUSA-N 435.490 4.219 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(C)C)cc3F)cc2F)CC1 730383939 WGNLMSHTOCTFTD-UHFFFAOYSA-N 432.515 4.216 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2F)C[C@@H](C)O1 734066486 UNZZLVZDOWMCNG-JBYIUTFZSA-N 425.548 4.138 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](c3c(F)cccc3F)N(C)C)cc2)CC1 734668732 GQVWETOABXJYDE-QFIPXVFZSA-N 430.543 4.303 10 20 IICD CN(C)c1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)cc1 742392271 OSYLDZGBDUBNDY-HSZRJFAPSA-N 430.520 4.314 10 20 IICD COc1ccc(CCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743544450 XKUGKGNIDPQBIB-SFHVURJKSA-N 433.499 4.197 10 20 IICD O=C(NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1Cl 745435764 XIGMOXCPIFYHRD-UHFFFAOYSA-N 429.948 4.320 10 20 IICD CN(C)Cc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 745904102 LVZXZNOVOLRTTR-FQEVSTJZSA-N 446.542 4.160 10 20 IICD COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)cc1 746137852 RQNIQDNJNVSEFJ-KRWDZBQOSA-N 435.490 4.056 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2O)cc1OC 748353733 PHUXWEQVMSXQKC-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nccn3C)c2)cc1)C1CCCCC1 749635907 KLMBKGXFLPELFA-UHFFFAOYSA-N 445.567 4.111 10 20 IICD O=C(CSCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 752151622 ZHPRIWUPKMSQLO-LJQANCHMSA-N 433.957 4.169 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(Cl)c(F)c(Cl)c3)cc2)C1 755508515 FONWCLKDNQTYQM-CYBMUJFWSA-N 439.318 4.156 10 20 IICD COCC1(O)CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)CC1 759323711 IXMCHVVQQHWHLG-UHFFFAOYSA-N 425.356 4.057 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 762496580 LZQAMDUJXKWWPB-AWEZNQCLSA-N 431.558 4.069 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(C)cc1 763898957 DHMGYXITLHEZMP-UHFFFAOYSA-N 433.556 4.292 10 20 IICD COc1ccc([C@H](C)[C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765279494 GSSGDUWVEJOIRI-WOJBJXKFSA-N 449.574 4.233 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2ncc3ccccc32)cc1Cl 767688431 XYPIKLXOIHUQQB-UHFFFAOYSA-N 446.938 4.446 10 20 IICD O=C(Nc1ccccc1N1CCCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769652855 MGBITEMPBSSIHU-UHFFFAOYSA-N 443.550 4.107 10 20 IICD COc1ccc(Cl)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 769727143 LWWCSDWDVMXHDU-UHFFFAOYSA-N 438.914 4.169 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(C)[C@H](C)[C@H]2C)sc(C)c1-c1ccccc1 771459875 MLLJAIGYSATRCL-IAGOWNOFSA-N 443.613 4.253 10 20 IICD COc1cc(N(C)[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc(OC)c1OC 772777355 OVGIQKXLDLONDE-QGZVFWFLSA-N 426.513 4.480 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc(-c2ccccc2Br)o1 773749599 BDDRKVHBZYCCRR-CYBMUJFWSA-N 445.313 4.195 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1O 774942805 PFYRUPXFGSQTCH-UHFFFAOYSA-N 430.464 4.452 10 20 IICD CC[C@@H](Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)c1cc(Br)ccc1O 775531974 IWESGZORCKOFAV-QGZVFWFLSA-N 449.345 4.384 10 20 IICD O=[N+]([O-])c1ccc([C@@H](O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 776279917 YVWHNGHJPYRGIE-CTNGQTDRSA-N 425.510 4.463 10 20 IICD Oc1cc2c(cc1CN1CCN(c3nnc(C(F)(F)F)s3)CC1)oc1ccccc12 776779044 UTXJHNSVALOJDH-UHFFFAOYSA-N 434.443 4.484 10 20 IICD CCn1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)c2cc(Cl)ccc21 777873042 GLYWMYRKEXFSCD-SFHVURJKSA-N 440.927 4.202 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Cc1ccc(OC)c(OC)c1 781343043 AADIPJHFFYEMDD-CQSZACIVSA-N 436.346 4.399 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Br 783318162 VGBFYJNNMCJYAQ-UHFFFAOYSA-N 432.362 4.199 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(s3)CCCCCC4)cc2)CC1 786261975 HYRXQJSTLUOEHP-UHFFFAOYSA-N 425.598 4.006 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC(F)(F)F)cc1 790220099 RSAIQWLSWACPTB-AWEZNQCLSA-N 441.425 4.121 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc1-c1ccccc1 790639092 VYGDFPNZEXLTPT-UHFFFAOYSA-N 446.510 4.094 10 20 IICD CC[C@H](NCCCNC(=O)c1cc(OC)ccc1Br)c1ccc(C)cc1O 794809023 OXHWKRQSYZLADD-IBGZPJMESA-N 435.362 4.333 10 20 IICD COc1ccc(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)c(O)c1 797646680 GZKOXRXWMPFJQP-UHFFFAOYSA-N 435.303 4.004 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)cc1 802061125 KSBFPPHLNYQVPR-OAQYLSRUSA-N 449.599 4.121 10 20 IICD CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CCCOc3ccccc32)cc1)C1CCCCC1 803676167 ACUSHQUJSNKXFP-HSZRJFAPSA-N 435.568 4.102 10 20 IICD C[C@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(F)cc1F 805314245 DZIRRAYIBBDTPD-MRXNPFEDSA-N 430.495 4.252 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC=C(c2ccncc2)C1 806877973 KDEDLLLDZKPKHL-IBGZPJMESA-N 428.483 4.151 10 20 IICD Cc1ccc(Br)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513266 WZKJUQGNBNZVIY-UHFFFAOYSA-N 432.101 4.025 10 20 IICD CCN(C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@@H](C)c1cccnc1 807956379 MVIRLCSQJZMRMQ-MSOLQXFVSA-N 442.991 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 812878348 XMKVRAPTGLRKOM-KESTWPANSA-N 444.373 4.031 10 20 IICD Cc1cc(Br)c(O)c(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 815155986 QENGMEMZFMVKGV-KUHUBIRLSA-N 435.337 4.444 10 20 IICD O=C(c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1F)N1CCOCC1 864010844 NJQAUOBYDSIJIY-UHFFFAOYSA-N 445.538 4.473 10 20 IICD COC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 914037790 WMMSRFWZLKQPAR-FOWTUZBSSA-N 446.575 4.155 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 914507273 MSPRBKYOXBJBDQ-UHFFFAOYSA-N 443.613 4.024 10 20 IICD CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OCC 916566402 XHWPTHUPJSMVBJ-QFIPXVFZSA-N 426.557 4.371 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 917309942 NBZWHCFHDNEWEJ-UHFFFAOYSA-N 430.913 4.119 10 20 IICD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(N2CCOCC2)c(F)c1 917708635 LPBOXOSEPHMTFZ-UHFFFAOYSA-N 443.906 4.220 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1-c1ccc(F)cc1 917714802 OVITUITWPZDAKM-HOTGVXAUSA-N 440.494 4.003 10 20 IICD C[C@H](Cc1ccccc1F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 919782180 MSHLMGJTHSBYDN-OAHLLOKOSA-N 439.453 4.112 10 20 IICD COc1ccc(-c2nc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)cs2)cc1 920473515 VIDRHLSXSZJOSH-BOPFTXTBSA-N 431.608 4.114 10 20 IICD CC1CCN([C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)c2cccs2)CC1 1318419186 VDJBWYQNNOJERB-HSZRJFAPSA-N 430.637 4.202 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)cc1 1336533718 KUPAROUVZDVFFS-UHFFFAOYSA-N 446.429 4.117 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OCCOc1ccccc1 24192803 IWNLRTOMJOEKBM-UHFFFAOYSA-N 446.547 4.253 10 20 IICD CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(NC(=O)C4=S=CC=C4)cc3)cc(C)nc21 504613590 SGPOFZBHMCGIGJ-HNNXBMFYSA-N 433.537 4.179 10 20 IICD O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1cnc(N2CCCC2)nc1 611743963 BYSRLQKLFYNUEV-PDGQHHTCSA-N 427.533 4.460 10 20 IICD CN(CCCNC(=S)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccccc1 726475137 HEGXOURCOLMZFL-UHFFFAOYSA-N 446.620 4.472 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(SC(C)(C)C)cc3)CC2)cc1 726854280 JCCIBMYQBBCPCO-UHFFFAOYSA-N 441.597 4.310 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 727246814 QJMYTEMZRUILSP-UHFFFAOYSA-N 434.514 4.462 10 20 IICD COC(=O)COc1c(C)cc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc1C 727863554 FEWKUSYCFBIWSR-BOPFTXTBSA-N 447.603 4.361 10 20 IICD COc1ccc(N2CCCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)CC2)cc1 728195930 MANAYNGLEBWVNN-UHFFFAOYSA-N 432.520 4.050 10 20 IICD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)cc1 731016203 GHYIPEKEDCHBIC-DEOSSOPVSA-N 433.596 4.400 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(Nc2ccccn2)n1 742799701 MSTKPFRSZJOXFH-AWEZNQCLSA-N 445.495 4.282 10 20 IICD COc1ccc([C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)cc1 745903832 IWZFIDFLGKEXDG-MOPGFXCFSA-N 445.510 4.465 10 20 IICD CCc1nnsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 746273143 MNLRPCKKYCUVHY-UHFFFAOYSA-N 448.342 4.310 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2c(Br)cccc2C1 749415828 MAVLPVYCFIJYEF-UHFFFAOYSA-N 446.414 4.270 10 20 IICD Cc1nsc2ncn(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c(=O)c12 752883711 PYEJTUSSIVYTEY-UHFFFAOYSA-N 444.463 4.053 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)CCc2nccs2)sc(C)c1-c1ccccc1 753279294 UUBUYCJBYJVPBQ-UHFFFAOYSA-N 443.594 4.470 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc4ccccc4o3)n2)s1 753978739 UKCFRNHIWFLZGV-UHFFFAOYSA-N 433.536 4.055 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1-n1nc(C)nc1C 759979330 LWEIPBOFOHWMHC-UHFFFAOYSA-N 444.333 4.406 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)cc1F 762954839 MEQBQQRTMUVPEZ-UHFFFAOYSA-N 429.826 4.443 10 20 IICD Cc1cnc(C2CCN(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)s1 763970937 JCBTXDYPVZIKHQ-UHFFFAOYSA-N 445.544 4.045 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3cccc(N4CCOCC4)c3)cc2F)C[C@@H](C)O1 765126656 LNZUMMCQOIINOK-VAMGGRTRSA-N 427.564 4.127 10 20 IICD C[C@H]1C[C@H](CCNC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1 765536871 UDXOURDBVXWCAF-WMZOPIPTSA-N 446.389 4.255 10 20 IICD CC(C)N1CCN(c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)CC1 768017707 QWBSIARKMDGCBG-UHFFFAOYSA-N 427.492 4.037 10 20 IICD Cc1cc(C(=O)NCCc2cn3c(n2)SCC3)c(C)n1-c1cccc(Br)c1 768647663 MUXYRSXDFUAWRQ-UHFFFAOYSA-N 445.386 4.131 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768915322 KFQTUIWSLDUQQF-NRFANRHFSA-N 447.023 4.228 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1)c1ccccc1 769244771 OTWFCSMJMPVFGY-NRFANRHFSA-N 436.556 4.227 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl 773096178 BNLGEGOKZOIRCU-ZWKOTPCHSA-N 437.005 4.080 10 20 IICD C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc(Cl)c(Cl)cc1O 774250148 FBSMFKNTBPHPMQ-HNNXBMFYSA-N 436.383 4.375 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)C(C)C 774386569 RJEGIVOPVISDAD-LJQANCHMSA-N 433.346 4.017 10 20 IICD CCOCCOc1ccc(Br)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O 775058681 WXOOFKZWYSYHMX-UHFFFAOYSA-N 441.278 4.099 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3c(F)cc(Cl)cc3F)cc2F)CC1 775384787 GNPZGKXBGXYGLR-UHFFFAOYSA-N 426.870 4.221 10 20 IICD C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(N(C)C)cc1 775409479 GKCKLNJHQRCFOP-OSPHWJPCSA-N 429.520 4.186 10 20 IICD CS(=O)(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 783136262 JTHXZROTNYTGAA-UHFFFAOYSA-N 437.481 4.051 10 20 IICD CCOC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783483304 RTUPANGAMVCBTK-QGZVFWFLSA-N 431.492 4.178 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C2CCCCC2)cc1 784062029 VIEGRZJWRXZHOU-UHFFFAOYSA-N 448.567 4.199 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(N2CCNC2=O)ccc1C 786241694 IFHXIAXNCWXEBL-UHFFFAOYSA-N 447.333 4.047 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 789371060 JRPXAKJLIVNDDE-UHFFFAOYSA-N 442.563 4.178 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccc(C)cc3)c3ccccn3)CC2)cc1 792067610 WJIVLANQMHUGLG-VWLOTQADSA-N 430.552 4.456 10 20 IICD COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(Br)c1 795114237 BYGSXQRWSYQKGN-UHFFFAOYSA-N 440.359 4.297 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 798088207 JWEALAIXMYJLKF-MBSDFSHPSA-N 445.585 4.158 10 20 IICD CCn1cc(-c2nn(C)cc2C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1 800048766 BUTUHLMJTCQZFE-MRXNPFEDSA-N 440.979 4.123 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccnc(OCc4ccccc4)c3)CC2)cc1 800593836 GOJDMKPMOLYQNZ-UHFFFAOYSA-N 432.524 4.460 10 20 IICD CNC(=O)CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)CC1 802674663 UOVAFZFMDCPVEG-UHFFFAOYSA-N 448.615 4.361 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 809711920 TYAVTJFEOGQYIJ-OAQYLSRUSA-N 438.572 4.026 10 20 IICD C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)Cc1ccc(N2CCCCC2)cc1 857758271 BPPQLVYAKOGJTJ-FQEVSTJZSA-N 434.584 4.263 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1 914759287 XLCPSFIUOPXRAD-UHFFFAOYSA-N 435.915 4.422 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 916483528 PDKQFAONOXXHLZ-QGZVFWFLSA-N 429.586 4.126 10 20 IICD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1 917117719 SQIDEEJDPYIFSE-UHFFFAOYSA-N 448.588 4.499 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 918212832 UYGIHWBYUBSKCE-UHFFFAOYSA-N 435.490 4.319 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1 918418510 DCBGWJOBKIVZEB-UHFFFAOYSA-N 442.523 4.216 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C)n1-c1ccc(Cl)cc1 918584107 IHJRRYXVCJYFJJ-KRWDZBQOSA-N 438.959 4.298 10 20 IICD Cc1sc2ncnc(SCC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 920881899 RIBKNBDCODBGRX-OAHLLOKOSA-N 442.610 4.114 10 20 IICD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 1116505069 KIHHPDFCUKMDDC-QGZVFWFLSA-N 439.947 4.449 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 1320150334 QKGUSUSPEWOXST-SFHVURJKSA-N 433.932 4.100 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C)c(N4C(=O)CCC4=O)c3)ccc21 484330348 DEDBBFFWOKGQAL-UHFFFAOYSA-N 433.508 4.119 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(-c2ccc(F)c(Cl)c2)nn1 541160683 BQIZJEZSSIVALF-KPKJPENVSA-N 427.892 4.392 10 20 IICD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1-c1ccccc1 725806324 QYWDTUQSNAAQPQ-UHFFFAOYSA-N 447.554 4.078 10 20 IICD COc1cccc(-c2n[nH]cc2CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726608333 YDQATBPHNIUCMC-UHFFFAOYSA-N 428.483 4.445 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cc(OC)ccc2OC)C1=O 726624775 AGRCDDMBKVDGEX-VCHYOVAHSA-N 446.506 4.417 10 20 IICD COc1ccc(N(Cc2cccs2)C[C@H](O)COc2ccc(NC(C)=O)cc2)cc1 727140349 XPRDPFZEMHERSZ-FQEVSTJZSA-N 426.538 4.162 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 727600931 IQTXEWIZYDACOZ-UHFFFAOYSA-N 439.453 4.416 10 20 IICD CCCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1ccccc1O 727831252 QWMHRZODLSIKAL-RUZDIDTESA-N 426.557 4.279 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 728979286 DYBLAROQTQSGDH-KRWDZBQOSA-N 431.492 4.427 10 20 IICD CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 732526633 UBWRSRIEAVHKNF-UHFFFAOYSA-N 425.348 4.249 10 20 IICD Cc1ccc(OCc2cccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)cn1 734015321 GWQUMVLUMBIVCS-UHFFFAOYSA-N 445.563 4.108 10 20 IICD CCc1nc(COc2ccc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2)no1 734433954 ODWQXPSSBPURIJ-UHFFFAOYSA-N 434.540 4.377 10 20 IICD CSc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nc1 734827714 GCKJFLQPFDTVCF-GXDHUFHOSA-N 435.621 4.485 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 741678508 RWRIKLQNSQXAQR-XMMPIXPASA-N 439.600 4.346 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)ns3)cc2F)C[C@@H](C)O1 742245911 PSLQWNDZNWDAEC-IYBDPMFKSA-N 425.529 4.493 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 745357439 KCIFKYQXRFCNEI-RUZDIDTESA-N 438.616 4.055 10 20 IICD COc1ccccc1C(C)(C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745803324 XLKLQFXNSOXMQC-INIZCTEOSA-N 433.499 4.500 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 745826972 ZZPJKYKCZOJHMT-GOSISDBHSA-N 432.362 4.355 10 20 IICD CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2s1 749731503 QWUWQRDRBUPIKX-UHFFFAOYSA-N 434.612 4.287 10 20 IICD CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 749779793 QQIZRYVUKMVVJE-WJOKGBTCSA-N 434.521 4.437 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)cc2)CC1 750284452 CTBCDILXEHQACD-DEOSSOPVSA-N 429.605 4.183 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 751823185 MPYWVDBEDNXTSB-JOCHJYFZSA-N 436.512 4.227 10 20 IICD CCN(CC)c1ccc(CN[C@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)cc1 753619973 UMZYMCLCKJHZEV-XMMPIXPASA-N 443.035 4.214 10 20 IICD COc1ccc(O)c([C@H](C)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)c1 756571438 FBPVWEGZZGRCJT-KRWDZBQOSA-N 437.540 4.006 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cncc(-c4ccc(N(C)C)cc4)c3)CC2)cc1 760191461 DNCNVKAOFWYMPA-UHFFFAOYSA-N 430.552 4.222 10 20 IICD Cc1ccc2c(c1)[C@@H](NC(=O)CCCN1C(=O)/C(=C/c3cccs3)SC1=S)CO2 763755571 OXWWEYUHITVCLE-GYXHFJGISA-N 444.603 4.288 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 765623830 OVGWDPFVVULZGQ-HXUWFJFHSA-N 436.600 4.271 10 20 IICD COc1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 766160980 HVWVBHWVSISADQ-PDGQHHTCSA-N 446.619 4.363 10 20 IICD C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1ccc(N2CCOCC2)cc1 769061157 DQWNVKOZNXTDSC-QTLGCAHFSA-N 445.567 4.009 10 20 IICD COCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 774701417 RLYYCNHLDQSRFR-UHFFFAOYSA-N 426.466 4.359 10 20 IICD COc1cc(O)c(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1OC 775648498 ALECLZFWXNZXGJ-UHFFFAOYSA-N 436.508 4.097 10 20 IICD O=C1/C(=C/c2cccc(Br)c2OC(F)F)SC(=S)N1Cc1ccon1 776727375 XGVLZAXBFLBMBJ-WDZFZDKYSA-N 447.282 4.440 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)ccc1F 783487083 UKDIAHIXPHEWEU-OAHLLOKOSA-N 434.471 4.099 10 20 IICD Cc1ccccc1-c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n(C)n1 784111433 IQEGHHUONXVHRH-UHFFFAOYSA-N 431.540 4.140 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 786874705 XOXGCIDQAYPVQW-UHFFFAOYSA-N 436.530 4.392 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 788141701 FMKMOWDWDIANDO-OAQYLSRUSA-N 439.987 4.337 10 20 IICD CCN(CC)c1ccc(CNCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1F 790611605 SPRJZUCWGRZCBU-RUZDIDTESA-N 438.547 4.187 10 20 IICD CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc(Br)cc(C)c2O)n1 792197241 RMPNZXLSPOOOGH-HNNXBMFYSA-N 425.348 4.433 10 20 IICD O=C(OCCCCC1CCOCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 798659294 NYAGJJTUAQJZOF-UHFFFAOYSA-N 439.555 4.008 10 20 IICD CC(C)N(CCc1nccs1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 803677147 GWWKGHDMLCMIOY-UHFFFAOYSA-N 442.629 4.008 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2c(c1)CCCCC2=O 810160139 VNRCSLKNWHREGV-UHFFFAOYSA-N 446.469 4.381 10 20 IICD CC[C@H](NC[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1O 810255988 SIUIOQNAYVTQIT-LAUBAEHRSA-N 427.463 4.463 10 20 IICD CC(C)c1scnc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 810447005 HUDFVBRRQHLZEW-KRWDZBQOSA-N 432.590 4.328 10 20 IICD Cc1cc(CC(=O)N[C@H](C)c2noc(COC(C)C)n2)c(C)n1-c1ccc(Cl)cc1 812378303 FUIOBWBZEWUJKH-OAHLLOKOSA-N 430.936 4.475 10 20 IICD C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1OCCc2sccc21 814108155 HLKBFGKOKKDJNF-XOBRGWDASA-N 436.524 4.385 10 20 IICD Cc1ccc2oc(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nc2n1 863971918 ISPBMRYCYOUJNH-UHFFFAOYSA-N 429.457 4.037 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2C)cc1 915269270 SLRURSDMQRLIND-GOSISDBHSA-N 437.584 4.213 10 20 IICD O=C(NC[C@@H](CO)Cc1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915774235 NZDKFMWMQBZKHD-SFHVURJKSA-N 434.471 4.147 10 20 IICD Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)n1 916488165 STUZUCVJBZNBSB-DEOSSOPVSA-N 448.567 4.128 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)n2)cc1 917906929 NJEQGYGVBLLBPF-UHFFFAOYSA-N 443.550 4.284 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc2oc3ccccc3c2c1 918437454 HKOHJORDOMSTQH-UHFFFAOYSA-N 445.544 4.394 10 20 IICD COc1cc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)ccc1C 919858915 GGAWTNPRFOIPPF-PDGQHHTCSA-N 446.619 4.363 10 20 IICD CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cc1 1800716708 WUJMZVOPTAUSBS-REPLKXPHSA-N 442.943 4.269 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3F)n[nH]2)cc1 1815515992 JUTUEHHXSCYIAT-URVUXULASA-N 449.530 4.481 10 20 IICD COc1cccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccccc2)c1 23555699 IHEDJONOOAPEHG-UHFFFAOYSA-N 433.489 4.329 10 20 IICD C[C@@H](NC(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 725864318 JQTIRLKCFAODEW-LJQANCHMSA-N 425.548 4.388 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1 729880366 ZFLJTFLWJGTZEZ-UHFFFAOYSA-N 443.416 4.442 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2)CC1 731048046 DWEWMRAENNCAHI-HSZRJFAPSA-N 429.511 4.484 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 731051429 MHNNUOZJALBLTN-UHFFFAOYSA-N 427.238 4.187 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3cccc4cnccc34)c2C)cc1 731163479 GUOHLMZKVWLQSO-UHFFFAOYSA-N 428.540 4.242 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)C2CC2)cc1 735193974 PUINCWHTIOINOF-SFHVURJKSA-N 444.526 4.307 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCCCSc3nccs3)cc2)cc1 735315387 LMTCWMAJXDTQGS-UHFFFAOYSA-N 447.607 4.229 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4ccoc4)n3)cc2F)C[C@@H](C)O1 737511681 JTMLPNOQPVUNCO-GASCZTMLSA-N 429.517 4.015 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3csc(-c4ccoc4)n3)cc2F)C[C@H](C)O1 737511683 JTMLPNOQPVUNCO-GJZGRUSLSA-N 429.517 4.015 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3OCC3CC3)cc2F)C[C@@H](C)O1 740072119 JLGFPTAQXYTBKD-HDICACEKSA-N 441.547 4.228 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)C2(c3ccccc3F)CC2)NC(=O)OC(C)(C)C)cc1 742751709 WGVKBJHCOGSIFW-OAQYLSRUSA-N 441.547 4.306 10 20 IICD CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 742800480 SHPBNBNMWBFYJP-MRXNPFEDSA-N 433.455 4.259 10 20 IICD O=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743077389 FGTNQHFLDDJDPV-MRXNPFEDSA-N 427.455 4.264 10 20 IICD CCOc1ccc(N(C)CC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 744403972 CKWISXRPIJDWLD-UHFFFAOYSA-N 427.526 4.301 10 20 IICD CC[C@@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1 744424473 MESJZUCISNOEOE-XMMPIXPASA-N 433.533 4.080 10 20 IICD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 745646957 CPXKQFSXXADJBN-JTHBVZDNSA-N 425.548 4.448 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC[C@@H]1c1ccccc1 745800999 UVEAYYVTUPFQJX-OAQYLSRUSA-N 431.483 4.040 10 20 IICD CCOCCOCc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C 746036236 NBEJHYBZLCMEAC-UHFFFAOYSA-N 441.572 4.049 10 20 IICD Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n(-c2ccccc2)n1 746344872 KWDUVGZNCUKBNP-DVECYGJZSA-N 448.567 4.208 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 747481237 CIOCUJUJKZBZOZ-UHFFFAOYSA-N 446.503 4.327 10 20 IICD CC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 752295605 GSXYKSXHJMBDOB-RXVVDRJESA-N 447.501 4.217 10 20 IICD Cc1nc(-c2ccccc2)sc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 752920273 UGEZOTZKKDGVNV-LJQANCHMSA-N 449.580 4.142 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)CC2)cc1F 753737686 IMZMHFLTANOPGO-UHFFFAOYSA-N 447.482 4.283 10 20 IICD C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)c(F)cc1O 756354515 DHIZVHKPZYTDCQ-LRDDRELGSA-N 429.355 4.079 10 20 IICD C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1cc(Br)cc(Br)c1O 756769615 GVCRVEUTWZJQAF-AAEUAGOBSA-N 441.167 4.242 10 20 IICD C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cc(Br)cc(Br)c1O 756788531 VYIGXHISOMJJIB-PWSUYJOCSA-N 435.156 4.254 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)cc1N1CCOC1=O 756839159 DFLIYULGONXCFL-SNVBAGLBSA-N 425.254 4.432 10 20 IICD O=C(CCN1CCOCC1)Nc1cc(NCc2cc(-c3ccccc3)ccc2O)ccc1F 760441813 HOCBWXNSBZMXFE-UHFFFAOYSA-N 449.526 4.471 10 20 IICD CCOC(=O)c1sc2ncnc(N(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1C 762177301 MKWLGSDMPGFKPQ-INIZCTEOSA-N 427.526 4.068 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 763060320 ZUKNKYJSWWIHEZ-BMFZPTHFSA-N 431.421 4.066 10 20 IICD COc1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Br 765246534 URWIUTCXPFCJSP-YJBOKZPZSA-N 446.389 4.010 10 20 IICD CCOCCOCc1cccc(NC(=O)NCc2cccc(Br)c2O)c1C 765298940 RBWBNCDZQYDJAT-UHFFFAOYSA-N 437.334 4.338 10 20 IICD C[C@@H](Oc1ccccc1Br)C(=O)NCc1cccc(Br)c1O 765746100 DPENWCQQXFZMPZ-SNVBAGLBSA-N 429.108 4.001 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 767892588 JLGUUAIBKOKTDO-UHFFFAOYSA-N 426.948 4.083 10 20 IICD C[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 768713925 UFXMRHNOUCSHLG-IBGZPJMESA-N 441.547 4.114 10 20 IICD Cc1cn(-c2ccccc2)nc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 769932628 GQWSJZFLOQZPNB-UHFFFAOYSA-N 426.467 4.181 10 20 IICD COc1cc(Br)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O 770378080 GNGLDRPDBFAURM-DOMZBBRYSA-N 429.355 4.041 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(N(C)C)cc1 773083680 HFHQNZNLFZMTIH-MRXNPFEDSA-N 441.528 4.184 10 20 IICD COc1ccc(C(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 775837521 UFBVUKSIQAXQND-LJQANCHMSA-N 447.579 4.326 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC(F)F)c2cccnc12 775922743 VCNFLNZVFUGALN-UHFFFAOYSA-N 446.429 4.134 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(N(C)C)cc1 776238691 KMQXAADRFHOTDZ-MRXNPFEDSA-N 448.489 4.000 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4cc(F)ccc43)cc2F)C[C@@H](C)O1 776896195 LSVDZQRMNQGHIR-VWKPWSFCSA-N 445.510 4.292 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1 777875466 ORLGDWBVSIOVRJ-NBVRZTHBSA-N 426.563 4.481 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3cccnc3)c3cc4ccccc4o3)cc2)C1 779392879 OOIQBZVHAYPRPJ-GJZUVCINSA-N 440.547 4.409 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(CCN(C)C)cc1)c1ccc(N)cc1 783481766 DTOQCETXSHCKIN-LJQANCHMSA-N 430.552 4.106 10 20 IICD COc1ccc(O)c(CN(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)c1 785990343 HRYIATZIRFJEQL-SFHVURJKSA-N 436.346 4.353 10 20 IICD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2O1 785994087 LSVXTJFUCJZWTR-DEOSSOPVSA-N 425.529 4.026 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 786537076 YZEWYCALVKTVGZ-UHFFFAOYSA-N 445.976 4.303 10 20 IICD C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788932520 OKGMPHHGSUGCCD-MSOLQXFVSA-N 427.976 4.207 10 20 IICD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)sc2C1 789748278 QOCIWOAAJCXGRR-KRWDZBQOSA-N 442.629 4.490 10 20 IICD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1[N+](=O)[O-] 790639548 PGIYTEKCTZFYRM-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 792606016 LHEXPBRWHLADIZ-ACCUITESSA-N 426.513 4.055 10 20 IICD CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 794274876 LOCOMTUYPUTOJW-LUQQZNFBSA-N 426.513 4.273 10 20 IICD CSc1cc(O)ccc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 794873513 FNLQYSISMYSKRS-UHFFFAOYSA-N 428.329 4.052 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(Cl)c1O 797039850 LFNAPHKVLHIBDX-GXTWGEPZSA-N 430.774 4.139 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)c(O)c1 797389215 VITRWIHRZDGSJU-UHFFFAOYSA-N 442.924 4.460 10 20 IICD O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 797575729 KDVVCWOXDWVWHK-IMFGXOCKSA-N 445.357 4.401 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CCCNC(=O)C3CCC3)cc2Cl)C1 799995633 QYAGVMPLIVITAW-QGZVFWFLSA-N 435.012 4.024 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 806432728 ANIYCICBLVSGOR-NRFANRHFSA-N 439.560 4.001 10 20 IICD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)sc2C1 806830306 CLDUOYJHYCAQTD-MRXNPFEDSA-N 428.602 4.005 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 807100115 KDMMTOSMSKLKRK-HNNXBMFYSA-N 435.490 4.006 10 20 IICD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2C)c1 807512468 WFMXFCZONQDEPQ-UHFFFAOYSA-N 447.322 4.065 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 807837948 GNEYDOLYNQZXHV-UHFFFAOYSA-N 432.307 4.065 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 809144847 SFZCZUYPEZAOAI-UDWIEESQSA-N 442.562 4.214 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)cc2F)C[C@@H](C)O1 810167989 RZKJZVZFKDEHMJ-HZPDHXFCSA-N 444.934 4.010 10 20 IICD COc1cc(Br)cc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1O 814302444 FGGGUCFMFCSLQF-ZDUSSCGKSA-N 435.318 4.361 10 20 IICD COCC1(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1 818020211 FXZCTDBUROXRBR-DTQAZKPQSA-N 438.640 4.053 10 20 IICD CC(=O)Nc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cs1 915388719 QTVALZPWNXCFSA-UHFFFAOYSA-N 449.891 4.341 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 916497439 JJFNGSJLBTWVDB-JTSKRJEESA-N 437.540 4.193 10 20 IICD O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(N2CCSCC2)cc1 917387254 ZBELVWOJFZXCMI-UHFFFAOYSA-N 425.529 4.283 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)cc1 918429400 IOQRNJVHWYCJTB-UHFFFAOYSA-N 425.476 4.400 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C)n1-c1cccc(Cl)c1 919982222 RQUNQMCHELGNJI-KRWDZBQOSA-N 438.959 4.298 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920870725 BISWADZVGGNPMP-SFHVURJKSA-N 438.572 4.324 10 20 IICD Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790776831 WVJHYLXNNRSBSP-UHFFFAOYSA-N 439.899 4.449 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C=O)s3)C2)cc1 1843018245 JDSDZGKAXQPCTK-UHFFFAOYSA-N 447.560 4.099 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 16911877 BKYXNSVRYYSQIY-LDADJPATSA-N 429.519 4.263 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C1CCN(c2ccc3nncn3n2)CC1 255091260 UZWOELYLOVFWNY-UHFFFAOYSA-N 426.484 4.395 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 302054851 QWAWTSAGYFFFNB-UHFFFAOYSA-N 428.536 4.340 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)ccc21 728639869 WCQXQZHJJPTZCL-LJQANCHMSA-N 434.536 4.035 10 20 IICD Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 731016044 CSCOSXQGQZCBNN-UHFFFAOYSA-N 445.567 4.038 10 20 IICD Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731132227 VLXNEPYEWPGFTP-UHFFFAOYSA-N 444.373 4.249 10 20 IICD Cn1cccc1[C@@H]1CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 734237477 WRKUCXZKDGBCRZ-SKQHNDAPSA-N 445.635 4.432 10 20 IICD CC(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(=O)OC(C)(C)C 734690802 YLTIEIGYUMAMJZ-LJQANCHMSA-N 431.533 4.246 10 20 IICD O=C(CCc1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 735926844 GPJYCACKQLLDKZ-UHFFFAOYSA-N 446.547 4.385 10 20 IICD CCOC(=O)Nc1ccc2c(CN(C)c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1 741795740 OHENCVKEFMQGTI-UHFFFAOYSA-N 442.468 4.024 10 20 IICD Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799723 NASKIISLOOBICG-HNNXBMFYSA-N 431.439 4.172 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-n2nccn2)cc1C(F)(F)F 743112948 XUZJSRJMGVRANJ-UHFFFAOYSA-N 431.418 4.192 10 20 IICD C[C@@H](c1cccnc1)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 743723170 NFGOEAMNCHRBMM-VMOJBDSFSA-N 431.608 4.344 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 743871218 XETZEBGAZLXQIJ-OAHLLOKOSA-N 444.373 4.205 10 20 IICD Cc1ccc([C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 745665148 QLLMCKLWESERHS-HUUCEWRRSA-N 431.444 4.037 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3coc4ccccc34)SC2=S)c1 746522586 LVDAQNXNOJAYAJ-ZDLGFXPLSA-N 444.559 4.089 10 20 IICD CC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 749415873 OLJFPCOONXISJZ-UHFFFAOYSA-N 428.621 4.292 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 759555883 CVUWCQVBHQDZAF-HNNXBMFYSA-N 429.514 4.010 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)cc1 764599872 NGNNOPUZVYAMRL-DFBJGRDBSA-N 427.564 4.159 10 20 IICD CCOc1ccccc1[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765277657 SRIBHFDAQOTLCC-LJQANCHMSA-N 435.547 4.192 10 20 IICD C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 765287084 NJVBRBLFSBKMKI-QGZVFWFLSA-N 447.982 4.128 10 20 IICD C[C@H](NCCc1ccc(OCCN(C)C)cc1)c1ccc(N2CCOCC2)cc1Cl 765801176 PZRFQHJLYKEUHU-IBGZPJMESA-N 432.008 4.010 10 20 IICD Cc1cc(Cl)c(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1Cl 765928141 UVIJIRGJUCFSMD-UHFFFAOYSA-N 432.101 4.025 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](CCc3ccccc3)Cc3ccccc3)cc2)CC1 765980141 PQMLTAUSJPEYCX-SANMLTNESA-N 448.632 4.255 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c(OC)cc2O)c(OC)c1 768266989 ZHEKTOREGUQBFU-QHCPKHFHSA-N 436.464 4.198 10 20 IICD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 770465046 CZAFYOOWNSEGDC-UHFFFAOYSA-N 448.523 4.203 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(N(C)C)cc1 773630479 UHVXELKYVHJANH-HNNXBMFYSA-N 449.382 4.288 10 20 IICD CO[C@H](C)c1nc(CNCc2cc(Br)cc(Br)c2O)cs1 776229757 CTYIMSJCRGXRMD-MRVPVSSYSA-N 436.169 4.371 10 20 IICD Cc1cc(-c2csc(NC(=O)c3cccc(C(N)=O)n3)n2)c(C)n1-c1ccc(F)cc1 782112383 PREACNDSHATYRG-UHFFFAOYSA-N 435.484 4.103 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 783314319 LWBTVKLTQZYRAP-UHFFFAOYSA-N 436.325 4.030 10 20 IICD COC(=O)CCc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783486190 MIOSXBNKOJRHLT-GOSISDBHSA-N 445.519 4.107 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 784031024 WEZMRLCMKPHJJW-UHFFFAOYSA-N 431.483 4.038 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H](c2cccs2)C2CC2)cc1 785788237 LTJFQUNRDIXOAP-JOCHJYFZSA-N 437.565 4.203 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC2(CCC2)c2ccccc21 791020853 WHEJSEMQNUTQGI-UHFFFAOYSA-N 440.546 4.337 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1ccc(OC)c(OC)c1 791246318 MOEGBHSPLKLHSC-UHFFFAOYSA-N 442.556 4.025 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 801976579 DDKHDDQFUMKBBJ-UHFFFAOYSA-N 427.520 4.148 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 801981805 TZPWAQWRVVCFCX-QHCPKHFHSA-N 425.573 4.086 10 20 IICD CC[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)cc(Cl)c1O 806146062 JKZILBIYKUTUKX-CQSZACIVSA-N 431.332 4.004 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCCN(C(=O)OC(C)(C)C)c3ccccc32)c1O 809786068 NUQJJQHWAZPNGE-UHFFFAOYSA-N 429.473 4.461 10 20 IICD Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)c1 812438179 KLMRIAOXUACYFK-NRFANRHFSA-N 436.556 4.385 10 20 IICD Cc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)cc1C 812441743 XXVXHHHTLPACOC-QFIPXVFZSA-N 436.556 4.385 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2C(F)(F)F)on1 812479520 FYUNJNWKWQCHSZ-UHFFFAOYSA-N 431.414 4.127 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 813241559 HPQDDQPLWWANON-IBGZPJMESA-N 437.588 4.354 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCc2ccc(N3CCCC3)cc2)(C(F)(F)F)C1 813409456 KAWULPUHDCBCAC-OAQYLSRUSA-N 441.494 4.093 10 20 IICD CCc1sc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Br 815730970 VSDGBMWEOBZYHG-UHFFFAOYSA-N 441.366 4.103 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1sc(Br)nc1C 816941085 WAIPVFLEKLDHHA-UHFFFAOYSA-N 434.153 4.344 10 20 IICD Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)n2n1 914454877 FGEBKJMXPVUGQU-UHFFFAOYSA-N 445.567 4.475 10 20 IICD COc1ccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1OC 915717782 LTBWOBWGHCXCKE-UHFFFAOYSA-N 432.480 4.417 10 20 IICD O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916710008 DKJHQIYZJKBUDL-QFIPXVFZSA-N 437.540 4.231 10 20 IICD Cc1cc(CC(=O)NCCS(=O)(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 917119292 XZSIZMLEFZOVAN-UHFFFAOYSA-N 444.984 4.021 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)F 918207393 WUZCYHLWEUJEQQ-MRXNPFEDSA-N 433.499 4.057 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)CC2)cc1F 1320252782 KWHLMRQMJAEMGV-UHFFFAOYSA-N 448.420 4.001 10 20 IICD CC(=O)N[C@@H](CC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C)c1cccs1 11942848 FAVJPRKIEQZVIF-FQEVSTJZSA-N 442.512 4.288 10 20 IICD CCn1c(S[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1C1CC1 17769589 DVJNFUOVDUWAJK-CYBMUJFWSA-N 446.532 4.070 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C)Cc1cccs1 69809992 IZMVFQAUYGWBCH-UHFFFAOYSA-N 429.567 4.153 10 20 IICD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1 108835545 JYKRPULYPBMVPQ-LJQANCHMSA-N 441.597 4.492 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c12 115949495 HTNNNJPHVLQFJG-INIZCTEOSA-N 434.540 4.380 10 20 IICD Cc1ccc(-c2nc(C)sc2CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 248006108 AQVVTABGCQKKTL-UHFFFAOYSA-N 435.593 4.465 10 20 IICD C[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 303282143 USCVEXWVAJLDEG-GOSISDBHSA-N 432.561 4.027 10 20 IICD CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 303865909 MONYVYIUAREGEY-UHFFFAOYSA-N 448.611 4.133 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccn(-c4ccc(OC)cc4)n3)ccc21 486672069 AGELXTWXAODCJU-UHFFFAOYSA-N 432.524 4.029 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 728950566 TYSKOSNEBNCZSG-HTAPYJJXSA-N 429.948 4.021 10 20 IICD O=C(NCCCc1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731284144 RBSOTPHCDDZCFB-FQEVSTJZSA-N 447.373 4.478 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCN3CC3CCCCC3)CC2)cc1 731502610 NGJAMZPNUNXDAN-HSZRJFAPSA-N 428.621 4.008 10 20 IICD COc1ccc(OCc2nc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cs2)cc1 733325627 OEMRGDRGUZUZQB-SFHVURJKSA-N 439.581 4.418 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 734471368 NTEHNXMNIKHJEA-UHFFFAOYSA-N 436.600 4.332 10 20 IICD CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 741670614 CGYXFTHLQQZYAJ-UHFFFAOYSA-N 444.963 4.027 10 20 IICD C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749347 GEVZVJQKULLPHM-HTAPYJJXSA-N 443.563 4.453 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c(nc1O)CCCCC2 742800327 ILHCNVLAJZUEJG-MRXNPFEDSA-N 431.483 4.056 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743080482 YHPNMMMLFPNJMO-MRXNPFEDSA-N 448.470 4.046 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)c1 743283830 FZTYPYKGPGLSHM-APSNUPSMSA-N 435.910 4.492 10 20 IICD Cc1nnc(SCC(=O)N(Cc2ccco2)Cc2ccccc2O)n1Cc1ccccc1 743431685 ZNSNNCJUXGKDRV-UHFFFAOYSA-N 448.548 4.255 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccn(-c2ccccc2)n1 745728250 GJKGQVNMJHUCDW-UHFFFAOYSA-N 429.318 4.072 10 20 IICD COc1ccc(Br)c(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c1 747700302 ZCOVVIOHZVCEFH-RIYZIHGNSA-N 437.340 4.267 10 20 IICD Cc1ccc(-c2noc(CCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)n2)cc1F 751301400 ASPGDRMPJUNJLK-UHFFFAOYSA-N 442.454 4.465 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)cc1F 753737304 FFDVNFKVHZICSK-UHFFFAOYSA-N 441.528 4.141 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1F 753737681 IFFBSRGNBCIFKX-UHFFFAOYSA-N 443.906 4.424 10 20 IICD CCOC(=O)c1c(NC(=O)Cc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(F)cc1 754527347 MNZGPFFWGQDMAM-UHFFFAOYSA-N 440.496 4.319 10 20 IICD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 756968829 IVSDHMVSHCLFDM-HXUWFJFHSA-N 439.600 4.380 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)cc(OC)c1OC 759220934 NBUBKYZDJJMAJY-UHFFFAOYSA-N 442.531 4.012 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2cc(Br)cs2)n1 763278873 GJHIUPNRPXATSK-SECBINFHSA-N 439.356 4.406 10 20 IICD COC1(c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)CCCC1 763357435 JJJYUHXMUBBKFO-OWBHPGMISA-N 435.596 4.381 10 20 IICD Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)n1-c1ccc(C(C)C)cc1 764074968 LSQWSKJLFXIQOP-FNZWTVRRSA-N 436.644 4.316 10 20 IICD C[C@@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773051041 WINXGXFCGYMAFL-NTKDMRAZSA-N 442.003 4.061 10 20 IICD C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 775834249 MMLKKISVIRRHPH-QGZVFWFLSA-N 434.515 4.433 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 779337108 WYIFMDRBNABLLI-SBUREZEXSA-N 445.991 4.124 10 20 IICD CCOC(=O)/C(=C/c1cnn(Cc2ccc(F)cc2)c1)c1nccn1Cc1ccccc1 780188205 YYBHDZMDCQIQSN-OEAKJJBVSA-N 430.483 4.419 10 20 IICD CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C 780347294 MRBZLCBHOLIEQX-NBGIEHNGSA-N 445.604 4.002 10 20 IICD CC(C)n1ncc2c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc(-c3ccccc3)nc21 782081646 RRQPXMXFMUHRBD-UHFFFAOYSA-N 431.448 4.130 10 20 IICD Cc1nnc([C@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 782676872 NHMUZMKTWKYQTM-AVMBBCFPSA-N 439.609 4.194 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(NC(N)=O)cc1 783268423 SATJHEJTFSXUIJ-OAHLLOKOSA-N 430.468 4.409 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)c[nH]1 783694019 UFJKOUYEUZQGQY-MLPAPPSSSA-N 428.413 4.106 10 20 IICD Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 787557590 PBLRIEXJOCIYDW-UHFFFAOYSA-N 438.553 4.154 10 20 IICD COCCN(Cc1scnc1C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 787606880 LWSPWHZUACCJKR-UHFFFAOYSA-N 437.525 4.481 10 20 IICD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cs1 788466335 WOFRGVVYQDDHLG-MRXNPFEDSA-N 436.581 4.020 10 20 IICD CCc1ccc([C@@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)CCO2)cc1 790199259 XXKNOBYZOWUEFE-QHCPKHFHSA-N 425.598 4.085 10 20 IICD CCCCn1ncc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1C(C)C 792503043 WMCBCPUIFZFORL-UHFFFAOYSA-N 444.599 4.409 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccc(N(C)C)cc1 793063131 XQIKNCYFCZDSPG-PZJWPPBQSA-N 438.572 4.162 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796279630 PLCFTBGZBHDPCK-LJQANCHMSA-N 435.593 4.008 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)c(F)c3F)cc2Cl)C1 800636249 HVLPYVAUBDYNON-LBPRGKRZSA-N 439.865 4.249 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCOCC4)C3)cc2Cl)C1 800711677 KNRMQQPMGVGVAQ-MJGOQNOKSA-N 435.996 4.104 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 801546127 IDQMXWVHSXXBRC-UHFFFAOYSA-N 432.586 4.053 10 20 IICD CC[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1O 806140486 XWMRDOVXRQJAIL-AWEZNQCLSA-N 449.322 4.301 10 20 IICD COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 806458465 YMZBXXGNSKGLJC-AVRDEDQJSA-N 441.547 4.354 10 20 IICD CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 807846427 FSWZDHKHWRVZEV-SFHVURJKSA-N 446.389 4.235 10 20 IICD O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809195864 ZDDQVOXAKWPMOJ-IFMALSPDSA-N 432.520 4.042 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S 915852570 XUXCZABHRHBUAM-JYRVWZFOSA-N 432.336 4.434 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)s1 916110638 YMBKNAZQJNECFV-UHFFFAOYSA-N 433.989 4.023 10 20 IICD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nccs1 916127448 VTNMFLAAUFGBNL-UHFFFAOYSA-N 429.523 4.143 10 20 IICD O=C(c1cccc(F)c1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 917449435 GVMXPYOIGYZMJS-UHFFFAOYSA-N 443.316 4.405 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2F)C[C@@H](C)O1 917710694 DDUJARYGIJHQSK-ZIAGYGMSSA-N 427.432 4.024 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)c(F)cc2N1 917873221 XABCAQZNPYSDHZ-UHFFFAOYSA-N 443.525 4.123 10 20 IICD CCCNC(=O)c1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 919657300 UGDPKMMKWARBQZ-UHFFFAOYSA-N 448.567 4.397 10 20 IICD O=C(NCc1ccc(F)cc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 919786056 GAFBRVYBOCIJPM-KRWDZBQOSA-N 437.309 4.185 10 20 IICD CCN(CC)C(=O)c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 919913294 VBYKUIBGOOUPDE-IBGZPJMESA-N 425.529 4.087 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1nc2cc(Cl)ccc2s1 920420365 AZZJFLAGPMZGIP-UHFFFAOYSA-N 430.961 4.128 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)cc2F)CC1 1317895758 YYNNSGUJXBZHOM-LTGZKZEYSA-N 441.597 4.021 10 20 IICD Cn1nc(-c2ccco2)cc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1343873149 WIEBJWMGZRVYFH-CQSZACIVSA-N 431.443 4.072 10 20 IICD CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(N2CCCCC2)cc1 11193268 BZTHCZMIIKIQLS-UHFFFAOYSA-N 434.584 4.264 10 20 IICD Cc1cccn2cc(COc3ccc(CNCc4ccc(N5CCOCC5)cc4)cc3)nc12 237894095 RCIJZVAOWUBGRB-UHFFFAOYSA-N 442.563 4.348 10 20 IICD CC(C)(C)c1ccc(C(=O)NCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 302001093 YRGNSZFAWYPVOQ-JOCHJYFZSA-N 438.568 4.017 10 20 IICD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486075736 PYLXEMSGHBTBLO-DYESRHJHSA-N 427.589 4.062 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)ccc21 568042776 SBYHNQVPLDPNPR-UHFFFAOYSA-N 438.503 4.216 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 725866102 CHAVPMSSFPWXPK-IRLDBZIGSA-N 447.501 4.269 10 20 IICD Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1-c1ccc(F)cc1 726568128 WZLCVFHPMNAMPR-UHFFFAOYSA-N 444.457 4.320 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 726726057 LWBVZFOHQQUXRC-UHFFFAOYSA-N 429.520 4.086 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)cc1 727226811 ADVSJJNOATVXRJ-UHFFFAOYSA-N 445.947 4.006 10 20 IICD CCN1CCN(c2ccc(CNCc3sc4nc(C)nc(C)c4c3C)cc2F)CC1 730108030 CENBWEOMZSJYNA-UHFFFAOYSA-N 427.593 4.187 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cn3)SC2=S)cc1 733813544 UTLLCWVGYSTJHR-OQLLNIDSSA-N 449.351 4.427 10 20 IICD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 738109704 JXRCHSBGCCFJQW-OAHLLOKOSA-N 442.585 4.386 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 742423534 OKQMTOLINZSEES-KRWDZBQOSA-N 436.466 4.474 10 20 IICD COc1ccccc1C[C@H](C)N(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 743555337 WEFDVUOARBOASR-FHWLQOOXSA-N 443.563 4.221 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccccc1O)c1cccc(Br)c1 748346470 XXSLVXJDGZSHRO-UHFFFAOYSA-N 425.282 4.337 10 20 IICD O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1C[C@H]1CCCO1 750302592 MNHIDCOOQVAJKE-WZONZLPQSA-N 436.512 4.331 10 20 IICD Cn1c(=O)c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc2ccccc21 750866879 IPBOSMYXTNMVFO-GOSISDBHSA-N 432.549 4.268 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)c(OC)cc3C)SC2=S)cc1 751292350 VKNZAMUMCSTMOG-DEDYPNTBSA-N 429.563 4.465 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(CCC(F)(F)F)c1 753894875 XVPDMOWTWWJLEX-UHFFFAOYSA-N 425.426 4.479 10 20 IICD Cc1noc(C)c1CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 756161686 IEFDOMKADXOBAN-LFIBNONCSA-N 436.580 4.120 10 20 IICD Cc1ccc([C@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(O)c1 756456778 INGABIWGUBUDAZ-KRWDZBQOSA-N 428.529 4.169 10 20 IICD CC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccccc1OCC(=O)N1CCCC1 761198571 QPUJEWWDBWUQNR-LJQANCHMSA-N 432.948 4.296 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)c1ccc2c(c1)OCCO2 761751786 BRFSLSHVKFMOAN-UHFFFAOYSA-N 434.330 4.252 10 20 IICD COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 764365995 RZGMQMSSFKUYSR-XMMPIXPASA-N 425.573 4.339 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765442230 AVBDHMACOTYRDW-UHFFFAOYSA-N 447.501 4.499 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c2ncccc12 766497816 WODHCAHYPDEYIJ-UHFFFAOYSA-N 430.442 4.206 10 20 IICD CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cc(Cl)cc(Cl)c2O)C(C)C)cc1 769353929 WRGSJQUATZWWFB-GOSISDBHSA-N 441.355 4.308 10 20 IICD CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1OCC(=O)N1CCCCC1 771934858 CVNWWMWQKUSYDM-UHFFFAOYSA-N 439.600 4.175 10 20 IICD CCN1CCN(CCCCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 772691699 BYSSPCNLIXJVOD-UHFFFAOYSA-N 436.604 4.316 10 20 IICD COc1ccc(CCn2c(C)cc(C(=O)COC(=O)/C=C/c3ccc(O)c(O)c3)c2C)cc1 772767677 DKJGYPYQLBGMSY-YRNVUSSQSA-N 449.503 4.207 10 20 IICD CSc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-] 777173569 ZMQDRZBMRAMESQ-OAHLLOKOSA-N 435.933 4.070 10 20 IICD COC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1ccc(Br)cc1 779176097 ZQRBVIBAMJRSGQ-OAHLLOKOSA-N 443.135 4.230 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 779510609 LAZBWXLLRMDZIJ-WJXUGBSRSA-N 425.872 4.221 10 20 IICD C[C@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1 787064706 LSZOQHUYVRXWFR-STQMWFEESA-N 428.480 4.120 10 20 IICD CN(C)c1ccc(CN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 795055215 HDSOKLTXXHLNBX-UHFFFAOYSA-N 434.989 4.151 10 20 IICD Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cccc(Br)c2O)cc1 797759420 ASEYNTFHOLSEDG-KRWDZBQOSA-N 449.345 4.345 10 20 IICD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803662258 AEZRFMWFDJKRNX-LBPRGKRZSA-N 426.319 4.034 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3C)SC2=S)c1 806548490 DUASJGKFQBAEEK-ZDLGFXPLSA-N 431.535 4.435 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)cc1F 806772088 JHHIXAPJMPEMTQ-INIZCTEOSA-N 428.556 4.207 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(Br)c1 807513703 SWMKSFGSCNGBKK-UHFFFAOYSA-N 432.101 4.025 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 808094774 ZHGPIMNPYXHIOF-MRXNPFEDSA-N 442.339 4.106 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 808526046 KQRSXOYCNFYXSX-UHFFFAOYSA-N 445.566 4.020 10 20 IICD CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C(F)(F)F)cc1O 810236382 DPPBZJZQAHOTGP-KRWDZBQOSA-N 446.466 4.331 10 20 IICD Cc1cnn([C@@H]2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)c1 811636882 NLXZKXGVPMXCHU-FGZHOGPDSA-N 428.496 4.186 10 20 IICD O=C(c1cccc(CN[C@H](CCc2ccccc2)c2ccccc2O)c1)N1CCOCC1 815565147 DQUWHNLEJVRGAP-RUZDIDTESA-N 430.548 4.328 10 20 IICD Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1cc(C)n(-c3cccc(C(C)C)c3)c1C)C2 816563738 IQQDQICWCXZIFR-NRFANRHFSA-N 434.584 4.002 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3c3ccc(C)cc3)CC2)cc1 916196314 AMJMCYUVAMYDDA-VWLOTQADSA-N 436.600 4.062 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccc(Cl)cc2)C2CC2)c1 917478254 VVYQVTLEWJQCOR-UHFFFAOYSA-N 428.960 4.245 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2F)C[C@H](C)O1 917711165 LRKLDHJZYMWCRC-KBPBESRZSA-N 426.410 4.268 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@H]1C1CCCC1 918074903 QRTNAPHWTCCVQE-FQEVSTJZSA-N 425.495 4.406 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c(C)n1-c1cccc(F)c1 920718971 AHOBPDLBUTVIFI-GOSISDBHSA-N 442.531 4.244 10 20 IICD CC(=O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1786279439 MXQFSZRUMGTAQN-UHFFFAOYSA-N 444.915 4.114 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CN4CCCC4=O)o3)c2C)cc1C 58302990 QFFHPUJKCQMBRY-UHFFFAOYSA-N 438.553 4.191 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H](C)Oc3ccc(C)cc3Br)CC2)cc1 108431483 WHNPZZQTKAWLPX-KRWDZBQOSA-N 447.373 4.272 10 20 IICD FC(F)COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 237784123 AHZUAECUDALFFV-UHFFFAOYSA-N 430.417 4.476 10 20 IICD Cc1c(CNC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)n(C)c2ccccc12 471993059 SDMQGPTTYFPACF-UHFFFAOYSA-N 448.611 4.357 10 20 IICD Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1-c1ccccc1 726566159 ZSJQZRFYTKSJMH-UHFFFAOYSA-N 426.467 4.181 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)CC1 731016573 MZQZWKFRYROJLG-FMIVXFBMSA-N 445.607 4.491 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1F 731403723 TWZITFFTZRUGNK-QGZVFWFLSA-N 426.536 4.359 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1 732114299 AQKGEJGOTSGMFL-XMMPIXPASA-N 446.551 4.094 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)nc1 733636979 TVSIUSJATZFJJT-UHFFFAOYSA-N 436.487 4.480 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)n2)s1 734740689 PTGUEGWYHKOQAH-UHFFFAOYSA-N 433.580 4.144 10 20 IICD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 734867633 RWHFEXUQDSOURR-LJQANCHMSA-N 433.955 4.261 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCSC[C@H]1c1ccc(Cl)cc1 734942378 NGVAQRNUIMMBJF-NRFANRHFSA-N 431.989 4.176 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1 735194470 FJJVFIIOPPMLIT-UHFFFAOYSA-N 438.572 4.140 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@]12CCCc1ccccc12 743313599 WHDRZTRPZJMBAW-LADGPHEKSA-N 444.497 4.452 10 20 IICD Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 743315770 BJWVIVVVAJDGDC-PZJWPPBQSA-N 436.600 4.083 10 20 IICD Cc1ccc(F)c(NC(=S)NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 743554920 QFNJILIKXQJSOF-UHFFFAOYSA-N 433.343 4.283 10 20 IICD CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CCCN2C 743630936 JRLOPZJOZWKQLD-UHFFFAOYSA-N 432.568 4.293 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 747542187 YHZJBVMIWDLTOC-RUZDIDTESA-N 429.311 4.085 10 20 IICD O=C(NCc1ccccc1O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 748345128 JGPUYIHWOOIIQS-UHFFFAOYSA-N 426.314 4.149 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)c2C)c1 750120756 MVUNGTPLTLHGDO-SFHVURJKSA-N 433.516 4.088 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 750862113 SNQYPEYRRAZIPV-UHFFFAOYSA-N 448.519 4.471 10 20 IICD Cc1ccccc1[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 751152331 OWAGNHKBCAAVQK-INIZCTEOSA-N 440.455 4.308 10 20 IICD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753635593 FXWOSUTYSYSGOI-GFCCVEGCSA-N 434.323 4.319 10 20 IICD COc1ccc(N2CCN([C@@H](C)c3nc(Cc4ccc(Cl)cc4)no3)CC2)cc1F 753857905 RADGPIOMYGXQFG-HNNXBMFYSA-N 430.911 4.345 10 20 IICD O=C(NCCCSc1nccs1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 759586020 WSJIYBAVXFRGSN-AWEZNQCLSA-N 442.557 4.195 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)c2)CC1 760855880 UXJIHXGHUWSIDW-UHFFFAOYSA-N 447.333 4.140 10 20 IICD COc1cc(Cl)cc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)c1O 761197684 BIOXFFCVMAYJKG-ZDUSSCGKSA-N 425.754 4.433 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)cnc1-n1cccn1 763256718 AZKCTODBWPPMDU-UHFFFAOYSA-N 430.306 4.180 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc4c3OCC4)SC2=S)cn1 764884082 BGFHCJWRRSPPPE-RIYZIHGNSA-N 449.351 4.193 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1cccc(Br)c1O 765542766 PMLDHURXVNZJTE-PIGZYNQJSA-N 427.726 4.384 10 20 IICD C[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 765680212 GPOKQMDEJNMHRZ-FOIQADDNSA-N 428.882 4.277 10 20 IICD C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1F 766632681 ZXHXNCGQDHASQC-LLVKDONJSA-N 436.370 4.139 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1)c1ccc(N)cc1 773656637 VCHZEOMANQISHY-AWEZNQCLSA-N 428.414 4.416 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C3CC3)ccc21 776546581 BTWHRKSMSRELOP-QFIPXVFZSA-N 443.588 4.280 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 777238882 JBAPGZVLHOXFFS-UHFFFAOYSA-N 443.551 4.458 10 20 IICD Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)c(C)n1-c1ccccn1 777501595 VXZMYLVQNZRCFF-VXKWHMMOSA-N 442.563 4.397 10 20 IICD COCCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)ccc21 779331074 IGYKOLJADUIQFE-UHFFFAOYSA-N 435.499 4.411 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Cl)c(OC(F)F)c1 780696381 YDYKXVYFGMWDQT-UHFFFAOYSA-N 443.853 4.363 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C)(NC(=O)OC(C)(C)C)CC3)ccc21 781775615 ICOLLQCZEZIPEK-UHFFFAOYSA-N 443.588 4.424 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3cc(F)ccc3Br)CC2)cc1 783919704 JWUNYXNWRVHRTM-UHFFFAOYSA-N 435.337 4.268 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc(-c2cccc(F)c2)no1 787409419 YBLAXMRCVAZKDD-UHFFFAOYSA-N 449.280 4.076 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc2nc(S)oc2c1 791247432 YVMHGAAEMGDHJC-UHFFFAOYSA-N 427.526 4.119 10 20 IICD COc1cc(O)c(CN[C@H](C)CCc2ccc(I)cc2)cc1OC 793328407 MVVYTILOIAQNDF-CYBMUJFWSA-N 441.309 4.125 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800148084 HJPRWFZMZAHDGW-HNNXBMFYSA-N 435.977 4.013 10 20 IICD Cc1cc(-c2nnc(N3CCC(OC[C@@H]4CCCCO4)CC3)n2C)c(C)n1-c1ccccc1 800731697 PJYKAAMFQXVLHE-QHCPKHFHSA-N 449.599 4.444 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC2)cc1 802757701 IEQQVDUYUCYFCK-OAQYLSRUSA-N 434.588 4.168 10 20 IICD CCCCC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 803297327 RCJFODQHVFIEJD-RDPSFJRHSA-N 437.584 4.138 10 20 IICD CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 808526431 PRAOACPCUQKKBL-UHFFFAOYSA-N 436.580 4.103 10 20 IICD C[C@H]1CN(c2ccc(CNCc3cn4ccc(Br)cc4n3)cc2F)C[C@@H](C)O1 810131641 NMDYGUGYXBCWGD-GASCZTMLSA-N 447.352 4.139 10 20 IICD CC1(C)CCCc2sc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)nc21 810415784 IZUOZPIZKKDNMT-UHFFFAOYSA-N 428.341 4.024 10 20 IICD C[C@@H](NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 812015125 MYCWBIHTKKSJSE-RFLWCCGPSA-N 445.563 4.358 10 20 IICD CCCOc1cccc(CC(=O)Nc2ccc(N3CCC(O)CC3)cc2OCCC)c1 819518999 MEQWKVIULLCWMF-UHFFFAOYSA-N 426.557 4.407 10 20 IICD Cc1cc(-c2csc(NC(=O)CS(=O)(=O)CC(C)C)n2)c(C)n1-c1ccc(F)cc1 915815174 ZIEGSPISAIWGGN-UHFFFAOYSA-N 449.573 4.366 10 20 IICD O=C(CCCOc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458575 PRUIVDRSNJLYCA-UHFFFAOYSA-N 440.437 4.157 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C[C@@H](C)O1 916694470 CCAMQYLNJNVHGC-SVFBPWRDSA-N 439.556 4.219 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4ccccc4)nc3)CC2)cc1 918037545 VFMPLZCYXGNHSZ-UHFFFAOYSA-N 432.524 4.413 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 919790964 VEYYUDBGCXBLNS-UHFFFAOYSA-N 446.389 4.063 10 20 IICD C[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 920882728 XEMHMZBTYAZKRZ-INIZCTEOSA-N 431.374 4.441 10 20 IICD C[C@H](NC(=O)N1CC(Cc2ccccc2C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 1319076268 DXEMYHGXZSRUMI-KRWDZBQOSA-N 447.501 4.487 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(nc1O)CCC(C)(C)C2 1319997292 PSPJTIMDKNVKDX-UHFFFAOYSA-N 433.346 4.433 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(F)cccc3F)c2C)cc1 11030438 RJNZLJQJEUMGPQ-UHFFFAOYSA-N 427.403 4.199 10 20 IICD C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933354 XEWKTSVTHLUTCQ-AWEZNQCLSA-N 442.865 4.279 10 20 IICD CC(C)(C)c1ccc(SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 302939665 BILWYMPNBNTZIU-UHFFFAOYSA-N 430.589 4.493 10 20 IICD COC(=O)CCCc1nnc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1 303750512 AEJMBVDJIKJYNO-UHFFFAOYSA-N 432.933 4.347 10 20 IICD COCCCOc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1 445747667 BQNBOADMOJDBIA-UHFFFAOYSA-N 435.505 4.035 10 20 IICD Cc1c(CNC(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)n(C)c2ccccc12 471911241 PDOOVHDYAXUHKC-HXUWFJFHSA-N 434.584 4.186 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485900642 WMQHVKIYBUABGP-UHFFFAOYSA-N 433.464 4.279 10 20 IICD COc1cc(CNCc2cccc(Br)c2O)ccc1OCc1ccncc1 725845880 MISYLWSGKZRBHE-UHFFFAOYSA-N 429.314 4.427 10 20 IICD FC(F)Oc1ccc(N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 726595137 VXEWKXSSGKCUSL-UHFFFAOYSA-N 436.466 4.498 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2ccc(Cl)cc2)CCC1 726979399 WHTPSXNQEHEBJS-UHFFFAOYSA-N 431.939 4.237 10 20 IICD CCOC(=O)N(C)C1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 726979531 KIOKYNYCOZPBKK-UHFFFAOYSA-N 430.593 4.218 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)/C=C/c3cccc(OC4CCCC4)c3)cc2)C1 727665913 XDOINGDHMQGPIA-GLBTYYSXSA-N 447.579 4.039 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(F)F)c(F)c3)cc2F)CC1 730133629 CJJZYCMVLHGWEU-UHFFFAOYSA-N 440.441 4.030 10 20 IICD CN(CCN(C)c1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 730910499 KWPAWFWJOGTCGS-UHFFFAOYSA-N 432.515 4.035 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCN(C(=O)CCC4CCCC4)CC3)cc2)CC1 731048055 FHWBFZCTEKKIBY-UHFFFAOYSA-N 440.632 4.247 10 20 IICD O=[S@](CCN(Cc1ccccc1O)C[C@@H]1CCCO1)c1cc(Cl)ccc1Cl 735492524 IKQRLWGYWLHQSZ-CBZJRKILSA-N 428.381 4.488 10 20 IICD CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 737099280 FDHHCVZLVFNFLT-UHFFFAOYSA-N 442.563 4.178 10 20 IICD COc1ccc(/C=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742755150 WCHFQEJBASDIIP-KYIYGJGQSA-N 439.556 4.157 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccnc(Oc2ccccc2)c1 743161311 MIXVKEBUJDXCOW-UHFFFAOYSA-N 436.487 4.296 10 20 IICD CSCC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1nnc2ccccn12 745389940 BITFKHTWYZAAOQ-FQEVSTJZSA-N 440.617 4.210 10 20 IICD CCOc1cc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)ccc1OC 745820246 OJAMHHORMJOZQA-UHFFFAOYSA-N 437.334 4.294 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Oc1ccccc1OC 745901296 GPZZSJBKXHOEAT-AWEZNQCLSA-N 437.334 4.162 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1C 746340287 DDDORBHQQXBSCV-LICLKQGHSA-N 431.510 4.400 10 20 IICD Cc1cc(C[C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n(-c2ccccc2)n1 746344871 KWDUVGZNCUKBNP-CYFREDJKSA-N 448.567 4.208 10 20 IICD COc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 746739134 POACZLIDSDLNSA-AWEZNQCLSA-N 434.334 4.177 10 20 IICD Cc1cc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1 749244635 MMPWEHCSHBYONE-UHFFFAOYSA-N 430.957 4.222 10 20 IICD CC(C)Oc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1Cl 751404726 IDHVYOZJTOVWLV-FQEVSTJZSA-N 431.964 4.410 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2c1 751980481 LJVTUNUUHXBMRS-UHFFFAOYSA-N 445.563 4.260 10 20 IICD Cc1cnc([C@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)s1 754420639 XLIBXFZPPZPSIW-LHSJRXKWSA-N 445.544 4.295 10 20 IICD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 754465542 KNFIQVSRAARJKM-UHFFFAOYSA-N 447.539 4.230 10 20 IICD Cc1nc(N2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)sc1C 754495554 CNQUTYNBOIIEAU-UHFFFAOYSA-N 448.552 4.463 10 20 IICD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 755025439 XBAXWNDLEYAAHN-UHFFFAOYSA-N 445.387 4.148 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)cc2SC)SC1=S 755034837 UYVYUTCMYLKYFU-MDWZMJQESA-N 446.413 4.325 10 20 IICD C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1cc(F)cc(F)c1O 756757738 DBHDIRSHAYELOH-GFCCVEGCSA-N 427.289 4.120 10 20 IICD O=C(NCCCSc1nccs1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 759602714 YPIYERZMHZIWFI-HNNXBMFYSA-N 439.912 4.028 10 20 IICD Cc1cc(Br)cn2cc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)nc12 760882813 DGFABPYEDVEKCM-OAHLLOKOSA-N 447.352 4.232 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 762229350 USXDJZAVVXWUJZ-CQSZACIVSA-N 437.418 4.004 10 20 IICD C[C@H](CC(=O)NCCCSc1nccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763386016 IKGYCJFELIUXKS-CVEARBPZSA-N 427.636 4.415 10 20 IICD O=C(c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1F)N1CCCC1 763391168 ZCNJVCOPHGIVMO-UHFFFAOYSA-N 437.543 4.048 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2cnn(C(C)C)c2n1 771067719 VKUQCZAPCKETKL-SFHVURJKSA-N 441.963 4.074 10 20 IICD C[C@]1(c2cccc(Br)c2)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O 772124575 NWGODCVQCKAWGD-MRXNPFEDSA-N 429.101 4.310 10 20 IICD O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 774169120 ONADIZJCLABACI-OALUTQOASA-N 435.475 4.135 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 775372477 BWDDUHGXLPWSLY-HUUCEWRRSA-N 439.537 4.392 10 20 IICD O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 779513074 RSZOKZYVPMYRNS-MPNRVQBSSA-N 435.307 4.438 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc(OC)c1OC 786147981 WQFWNJJLQAJHNL-INIZCTEOSA-N 439.512 4.051 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 786669971 HVPQUEWTUNLEHL-UHFFFAOYSA-N 449.502 4.317 10 20 IICD COc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 786759569 IRWGQYFYDBPWKD-SJORKVTESA-N 443.975 4.079 10 20 IICD CCOC(CCN[C@H](C)c1cc(Br)cc(Br)c1O)OCC 786970495 QEPARRJFISLHSW-SNVBAGLBSA-N 425.161 4.357 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1 791880638 KUPFSMWRJRGSNG-UHFFFAOYSA-N 435.196 4.384 10 20 IICD COc1cccc(C(=O)CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 794238497 LMZHBGDCHFSMEN-ROUUACIJSA-N 442.531 4.117 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cccc1N1C(=O)CNC1=O 794276087 PMLNYAWFMFQWCJ-UHFFFAOYSA-N 436.899 4.364 10 20 IICD OC1CCN(c2ccc(CNCc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc2F)CC1 796282737 YGSKERULVYPBRP-UHFFFAOYSA-N 448.464 4.281 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)cc2)CC1 805022948 JIEBZSUWQPEGFJ-GMAHTHKFSA-N 437.559 4.131 10 20 IICD Cc1ccc([C@H](C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 807240469 MORLJFDDEVEBAZ-HXUWFJFHSA-N 433.552 4.103 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(Cl)c(Cl)cc1F 807511057 DZHNESWXNRENAW-UHFFFAOYSA-N 426.058 4.400 10 20 IICD C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1ccc(N(C)C)cc1 808747204 DSVCJNKYQYDGAP-QGZVFWFLSA-N 432.561 4.246 10 20 IICD CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1O 810212873 GDNJTUIQWYGSQF-FZKQIMNGSA-N 430.492 4.463 10 20 IICD CCc1cc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c(O)c(C(C)(C)C)c1 813157352 KZFWYZXSNYKITB-UHFFFAOYSA-N 436.643 4.257 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCN(C)CC3)cc2)cc1 877841897 PAYWICOCCQUIKM-RUZDIDTESA-N 428.536 4.218 10 20 IICD CC(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C 916677428 PUGKCCFVFHNMOS-HUUCEWRRSA-N 428.508 4.028 10 20 IICD COc1ccc(N2CCCN(Cn3c(C4CC4)nn(-c4ccccc4)c3=S)CC2)cc1 917487444 OHRVFOVWTNIVET-UHFFFAOYSA-N 435.597 4.459 10 20 IICD COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CCCCC1 918090327 XCQMZHNZGVVKRR-XMMPIXPASA-N 436.600 4.322 10 20 IICD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918117569 GMNZPULUUZAUCG-KRWDZBQOSA-N 449.382 4.037 10 20 IICD O=C(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Nc1ccc(Cl)cc1 919800207 NNQADLWLCBUECI-UHFFFAOYSA-N 435.871 4.449 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1)c1cc(O)nc(O)c1 1788428042 UUWKLIFONUTDOW-UHFFFAOYSA-N 448.504 4.097 10 20 IICD Cc1csc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1794356580 SJGOUNARRQFMSR-MUJYYYPQSA-N 448.972 4.006 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3cccs3)c2C)c1 23550893 NGOKQGNNGRSBNN-UHFFFAOYSA-N 442.562 4.033 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 23745040 ZJCBUWWDQQVFMF-JOCHJYFZSA-N 429.564 4.417 10 20 IICD CCN(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc2ccccc2s1 96971083 WDFBETPANVXBPW-SFHVURJKSA-N 425.554 4.036 10 20 IICD Cc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)s2)c(C)c1 116174934 YRXLQXDWNCKNPF-IBGZPJMESA-N 448.592 4.059 10 20 IICD Cc1cc(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)c(C)n1-c1ccccn1 302960312 MAFXYABENRPCLT-UHFFFAOYSA-N 442.519 4.272 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3CNC(=O)c3ccccc3)ccc21 471437315 SBLHYXZQFDNOBO-HSZRJFAPSA-N 447.579 4.329 10 20 IICD CN(CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 725812846 FYBCVTIHFOLNOQ-UHFFFAOYSA-N 438.547 4.070 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(OC)cc3C(F)(F)F)CC2)cc1 726616165 ZRSKPFUCBXZKGV-UHFFFAOYSA-N 437.462 4.145 10 20 IICD O=C1C[C@@H](N2CC[C@@H](N3CCCCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 730817352 QIYMITIRRYCFKY-DHIUTWEWSA-N 431.540 4.294 10 20 IICD COc1cc(OC)c2cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)[nH]c2c1OC 731016757 XTEPPHVLNCQAEH-UHFFFAOYSA-N 437.540 4.360 10 20 IICD Cc1oc2c(CN3CC[S@](=O)[C@@H](C)[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1Cl 736601891 YWHGNUMOKMHQBK-IYHDKUBDSA-N 445.968 4.469 10 20 IICD Cc1oc2c(CN3CC[S@](=O)[C@H](C)[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1Cl 736601893 YWHGNUMOKMHQBK-XHOCJMFXSA-N 445.968 4.469 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1F 737383113 WTJNGITUSFLSDX-UHFFFAOYSA-N 431.514 4.197 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(CCc4ccccc4)ccc3O)c2)CC1 740128339 PYENNKZWYPXZRP-UHFFFAOYSA-N 443.547 4.131 10 20 IICD CC[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c2ccccc2O1 741998733 SOIUHWPMIFRMKA-CQSZACIVSA-N 442.427 4.188 10 20 IICD CCOc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1OC 743413517 FPVIZJJHVDFYAQ-UHFFFAOYSA-N 439.556 4.118 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 748703555 QXGGINWDRMYJMT-UHFFFAOYSA-N 428.536 4.030 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 748715542 AXQIIZPJIUZNGL-UHFFFAOYSA-N 447.988 4.367 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nnc(-c4cccc(Cl)c4)o3)cs2)cc1 751932034 RPDWOZVBOWBKPN-UHFFFAOYSA-N 426.885 4.377 10 20 IICD C/C(=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)F 753309093 KVLBOIGUHRURQY-VKAVYKQESA-N 430.495 4.216 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 753365799 XJSRESLFZBGGIZ-DEOSSOPVSA-N 432.609 4.321 10 20 IICD COc1cc(NC2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc(OC)c1 754363200 OCAFCUJZFVXCBS-UHFFFAOYSA-N 438.572 4.090 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(Br)c(F)cc1O 756770861 XZDWNPGXVDEBMM-QWHCGFSZSA-N 430.339 4.197 10 20 IICD COc1ccc(C(C)(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 757612309 FQJRJZISQNTEQG-IRXDYDNUSA-N 444.547 4.051 10 20 IICD Cc1cc(C(=O)CN2CC[C@@H](C)S(=O)(=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 760001099 YGIVTDWRKJKPPW-CQSZACIVSA-N 443.396 4.093 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3ncc(C(C)(C)C)o3)cc2F)C[C@@H](C)O1 761883149 VNUSMVYMQUEQSJ-HUUCEWRRSA-N 435.565 4.133 10 20 IICD COC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 762228616 JTVKUSJMAVAYOV-UHFFFAOYSA-N 437.418 4.004 10 20 IICD CC(=O)NCCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 763744049 QDSPIUZQVYOLGB-LJQANCHMSA-N 432.520 4.201 10 20 IICD Cc1cccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)c1 764913289 KQHQDVIBFLGCLJ-NLFFAJNJSA-N 444.019 4.209 10 20 IICD CC(=O)N1CCc2c(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cccc21 769247919 KLOWTOPRDJVWDW-UHFFFAOYSA-N 432.524 4.489 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 769292891 VPWIRMZITMDZBP-HZPDHXFCSA-N 441.366 4.197 10 20 IICD CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cs1 769503186 SSMIALHCBLLCQE-AWEZNQCLSA-N 440.407 4.027 10 20 IICD C[C@H](NC(=O)c1cnc(Cc2ccccc2F)s1)c1ccc(N2CCOCC2)cc1 771951323 HSPPRMRALWYTEE-INIZCTEOSA-N 425.529 4.201 10 20 IICD C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N(C)C)cc1 773610469 JRISBHYAQDPKOC-INIZCTEOSA-N 432.515 4.383 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775138173 OLQFLHQROVYOBG-BBTUJRGHSA-N 448.523 4.019 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCC3=CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 777513127 NCKNDJZFMDCNHG-UHFFFAOYSA-N 442.604 4.289 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1F 782425196 RXAIWYLROKOFEO-UHFFFAOYSA-N 439.487 4.051 10 20 IICD Cc1ccc(-n2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cn2)c(C)c1 786422208 FFXFNZBUORMUPC-UHFFFAOYSA-N 446.551 4.495 10 20 IICD COc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 786771978 ZPXKTQGZIDCOJH-IAGOWNOFSA-N 443.975 4.079 10 20 IICD C[C@H](NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 789015143 AUCODHKMBHWMEV-LSDHHAIUSA-N 445.446 4.024 10 20 IICD CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1cc(OC)ccc1O 793690630 WXRWJVSNQNRXSA-UHFFFAOYSA-N 431.286 4.311 10 20 IICD O=S(=O)(c1c(Cl)cc(F)cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 797827122 VPBVXNQKSXEWHA-AWEZNQCLSA-N 434.316 4.208 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)NCCCSc2nccs2)c1=O 808870747 MUTBXBUKMPIDLF-UHFFFAOYSA-N 432.546 4.105 10 20 IICD COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1ccccc1O 812165101 ABMPIYCBEGEDJQ-UHFFFAOYSA-N 434.496 4.106 10 20 IICD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc(C)n(-c3ccc(Cl)cc3)c1C)C2 818951049 RHSHUVHINPATNZ-SFTDATJTSA-N 429.992 4.461 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 863988979 HTIRWXRWVIDRBY-UHFFFAOYSA-N 443.613 4.089 10 20 IICD O=C(Nc1ccc(-c2nc(-c3ccccc3Br)no2)cc1)C1=S=CC=C1 904964552 MXCZKWBRXXJKHL-UHFFFAOYSA-N 426.295 4.382 10 20 IICD C[C@H]1C[C@@H](C)CN(CCCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 919657049 PQNSNEVINUHQGH-OYRHEFFESA-N 426.605 4.425 10 20 IICD O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1ccc(N2CCOCC2)cc1 919859572 AIFMEMHLAHGIQC-UHFFFAOYSA-N 427.957 4.159 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1Br 919895884 YANFQMLWUYGSDU-UHFFFAOYSA-N 444.373 4.242 10 20 IICD CCCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)[C@H]1CCc2ccccc2C1 919951934 WZPRXMZAGBTAPJ-SANMLTNESA-N 436.596 4.197 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cncs2)C3)cc1 1800513602 ONUMZUGYELHBMN-NUZGMZIFSA-N 434.565 4.116 10 20 IICD O=C(CCCOc1ccccc1Br)NCc1ccc(N2CCSCC2)cc1 71964006 SZCUFJIBINQZHZ-UHFFFAOYSA-N 449.414 4.478 10 20 IICD CCc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccccc1Cl 97576306 BOFPGMJPYLGTTP-KRWDZBQOSA-N 440.931 4.010 10 20 IICD CN(Cc1ccccc1O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 726276368 RQNLKSFLFFDEPS-UHFFFAOYSA-N 433.346 4.045 10 20 IICD O=C1/C(=C\c2ccc(-n3ccnc3)cc2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801907 PKLCIRAYJFPSOV-KGENOOAVSA-N 449.557 4.087 10 20 IICD CC(C)(C)n1ncc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)c1=O 742423764 SKEDQFYTDSTCRD-ZDUSSCGKSA-N 426.895 4.334 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1c(F)cc(F)cc1F 743220935 PXRPLMYEYJZBEJ-UHFFFAOYSA-N 433.352 4.281 10 20 IICD COc1ccc(OCCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743561634 MFQBYPLWPLVFMW-QGZVFWFLSA-N 449.498 4.034 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 745788569 MLYKGYNBFYNPBU-UHFFFAOYSA-N 449.345 4.393 10 20 IICD C[C@@H](NC(=S)NCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 747647813 BSPXRENJDUOZKC-OAHLLOKOSA-N 434.403 4.011 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)cc1 748032171 CIJUWDMJTXKXQV-UHFFFAOYSA-N 439.737 4.169 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 753270178 QYNSUIGCFNKKMQ-JOCHJYFZSA-N 440.540 4.063 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1 753894806 WBSQQNCOVHDMAG-UHFFFAOYSA-N 438.572 4.106 10 20 IICD COCCOCCCCN[C@H](C)c1cc(Br)cc(Br)c1O 756517988 SBKMNWGLMSBBFO-LLVKDONJSA-N 425.161 4.011 10 20 IICD COc1cc(N2CCN(C(=O)/C(C)=C/c3ccccc3Cl)CC2)cc(OC)c1OC 759236450 BZSQIKKFAIMQFF-DTQAZKPQSA-N 430.932 4.118 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3COc4ccc(Cl)cc43)cc2F)C[C@@H](C)O1 762061736 QWQROLXTBAENHU-KSMMKXTCSA-N 433.911 4.026 10 20 IICD C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 765361056 YCOHKJGOZWDBCM-HOYKHHGWSA-N 447.982 4.040 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 765643059 DVVIMRVWJNYFEM-DVECYGJZSA-N 445.554 4.136 10 20 IICD Cc1noc(C)c1COc1ccc(CC(=O)NCc2cccc(Br)c2O)cc1 765733330 XLKQQZREVGLLOB-UHFFFAOYSA-N 445.313 4.197 10 20 IICD COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 765994836 RZDXMAOMCQRTLS-OXQOHEQNSA-N 431.964 4.026 10 20 IICD COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 766238047 OFTMLMXZVVHKCO-SJLPKXTDSA-N 433.499 4.272 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(-c3ncccc3F)n2)cc1 768302167 NJCZKIGPUDKFHP-GOSISDBHSA-N 440.544 4.232 10 20 IICD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCc1ccc(O)c(O)c1 768900343 GEUKZAOBZYWRGY-UHFFFAOYSA-N 434.323 4.109 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1SC(F)F 768916307 PACMIYDFPZCUAB-AWEZNQCLSA-N 427.904 4.150 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1ccc(Cl)c(Cl)c1 777366847 JZHRVVKWWFNRBL-UHFFFAOYSA-N 445.350 4.254 10 20 IICD Cc1ccc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1NS(C)(=O)=O 777822700 JWYQDFWGCLPZBK-SFHVURJKSA-N 438.549 4.476 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1O 779047707 FGUIOFIBFFNHGJ-AWEZNQCLSA-N 432.362 4.338 10 20 IICD COC[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C[C@H](C)O1 783969780 XKORXTKWWUSTJQ-GOEBONIOSA-N 443.927 4.363 10 20 IICD COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 784508324 WKPNBFIYKKEFAZ-UHFFFAOYSA-N 433.420 4.390 10 20 IICD Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(N2CCOCC2)cc1 790489450 BRAXQAJXLKFGMI-UHFFFAOYSA-N 445.441 4.435 10 20 IICD Cc1cc(C(=O)N(CCCO)Cc2ccccn2)c(C)n1-c1ccccc1Br 794353704 JLCVYFMJBXZEOD-UHFFFAOYSA-N 442.357 4.276 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cc(Br)cc(F)c1O 797039772 AYZMZFAGBMWGQF-JTQLQIEISA-N 432.311 4.020 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCC[C@H](C(=O)N(C)C)C3)cc2Cl)C1 799993915 LRVNWJZRTQPUBK-NEWSRXKRSA-N 435.012 4.023 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C2CC2)cc1 806806308 NGRNZMZQMGSPKO-UHFFFAOYSA-N 425.508 4.008 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 807512092 KQWAZZPQPRMHIH-UHFFFAOYSA-N 441.286 4.414 10 20 IICD CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 807915912 LEJXXVZGHSWQCF-JOCHJYFZSA-N 425.573 4.013 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 808479556 WSDFUVMVNBZANP-CQSZACIVSA-N 443.491 4.264 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc(-c4csc5cc(C)ccc45)n3)CC2)cc1 809464506 GPLLFPMZKLFWFF-UHFFFAOYSA-N 448.548 4.160 10 20 IICD CCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812038075 GHAMFIPPHPCWMI-UHFFFAOYSA-N 430.556 4.026 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C4CC4)n3)cc2Cl)C1 815635463 DASQIEXRRNPYAN-OAHLLOKOSA-N 426.948 4.104 10 20 IICD Cc1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c(C)n1-c1ccc(Br)cc1 818377828 SDVGAYDELAECEA-UHFFFAOYSA-N 441.329 4.277 10 20 IICD Cc1cc(C)c(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)c1 914489232 JKDMVKMOQUDJNR-UHFFFAOYSA-N 428.444 4.225 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccnc1Oc1ccccc1 916680970 PPFIJYOIDAHPDP-UHFFFAOYSA-N 436.487 4.296 10 20 IICD COc1ccc(N2CCCN(CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)CC2)cc1 917087033 UGQHGHGANPVPLO-MRXNPFEDSA-N 436.383 4.392 10 20 IICD COc1cc(-c2ccccc2)sc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 917836682 RGAGMWZYSNRTOM-IBGZPJMESA-N 449.576 4.055 10 20 IICD COc1ccc(OC2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 918214513 ZKICDILQOVZFJX-UHFFFAOYSA-N 441.597 4.001 10 20 IICD Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1I 918539277 AOQVTKLRIAASBM-UHFFFAOYSA-N 434.321 4.470 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(N2CCOCC2)cc1 920870774 DKFNZVKNOADYKV-MRXNPFEDSA-N 430.499 4.284 10 20 IICD CC(C)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1846079896 ZOKVSCQQBOJCTJ-WKILWMFISA-N 434.964 4.031 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4ccccc4F)n(C4CC4)c3=S)CC2)cc1 69005050 YODCCSSDKYUKPG-UHFFFAOYSA-N 439.560 4.343 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cc1 108577564 CRODVKBGWOLGRT-UHFFFAOYSA-N 435.549 4.362 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1F 733645697 APQNPRQNQZIGSU-UHFFFAOYSA-N 426.580 4.478 10 20 IICD CCCN(CCc1cccc(F)c1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 733649648 XUQHQRZZIBITPL-UHFFFAOYSA-N 444.570 4.271 10 20 IICD Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 736195504 HVOYKGGLXXJJDC-UHFFFAOYSA-N 439.943 4.442 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F 740000473 DBHBXZDEQWTEDE-UHFFFAOYSA-N 433.593 4.136 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccnc(N3CCCCC3)n2)c1C 740314986 KEGKYCMTYNXIHX-UHFFFAOYSA-N 432.524 4.223 10 20 IICD Cc1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 743554365 CANITBCROMWCKS-GUDVDZBRSA-N 429.536 4.014 10 20 IICD O=C(NCc1ccc(OC(F)F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745308178 PMAGHXZXNJWIDA-OAHLLOKOSA-N 441.425 4.358 10 20 IICD COc1ccc(C[C@@H](NC(=O)NCc2cccc(OC)c2O)c2ccccc2)cc1OC 745798611 ACGSOVYIRCHUAK-HXUWFJFHSA-N 436.508 4.201 10 20 IICD O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1cccc(CN2CCSCC2)c1 748511020 AHHAEVGPDGPLSN-UHFFFAOYSA-N 434.537 4.121 10 20 IICD CC(=O)c1cc(F)cc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1O 750823748 VLAQYDNVXKYHCE-UHFFFAOYSA-N 442.512 4.167 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1cc(F)ccc1F)C1CCCC1 751785218 BLVZFDLBRUOSRV-UHFFFAOYSA-N 429.511 4.456 10 20 IICD Cc1ccc([C@@H](NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)C2CC2)cc1 751944081 AIBTVPOPRPJBLW-HSZRJFAPSA-N 435.549 4.049 10 20 IICD CCc1nnc(O)c(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1CC 754605807 MIGBVBMNFZWBNN-UHFFFAOYSA-N 425.577 4.075 10 20 IICD COc1cc(Br)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 756337833 XRGVSICJWFEDEZ-KRWDZBQOSA-N 436.346 4.353 10 20 IICD CCN1CCN(Cc2ccccc2CN[C@@H](C)c2ccc(Br)cc2O)CC1 756430962 AJGPEAPWFOKQNP-KRWDZBQOSA-N 432.406 4.143 10 20 IICD C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cc(F)cc(F)c1O 756599342 ZMRGJCYCIWHNNO-ZDUSSCGKSA-N 434.464 4.112 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H]1C[C@@H](C)c3c(F)ccc(O)c31)CC2 756707395 ORQXQIFLLAILIU-BEFAXECRSA-N 442.531 4.052 10 20 IICD COc1cc(Cl)cc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1O 761203603 WPEMNXRAFWDNJA-UHFFFAOYSA-N 428.960 4.457 10 20 IICD CCOC1CC(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)(N2CCOCC2)C1 767734840 CYGJFITWKLTUNA-UHFFFAOYSA-N 432.649 4.347 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(F)cc1F 774918644 KPHZJMKZDFVUAZ-MRXNPFEDSA-N 441.478 4.030 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1F 775052127 SPHKIERRHJGAEE-UHFFFAOYSA-N 426.878 4.190 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1)c1ccc(N)cc1 783482550 ICTMRJLYJKZPKW-GOSISDBHSA-N 437.503 4.459 10 20 IICD O=C(OCc1ccc2ccccc2n1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 785407132 DPDFKNRLGDWRPH-UHFFFAOYSA-N 440.502 4.160 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3ccc(Br)c(Cl)c3)CC2)cc1 786867170 STZDLRCGARHTBS-UHFFFAOYSA-N 437.765 4.439 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 788932209 MBEDHQJTNZCNCH-RUZDIDTESA-N 445.538 4.142 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 788974816 IGCIVJLWTLRLFP-UHFFFAOYSA-N 444.579 4.260 10 20 IICD CO[C@H]1CCOc2c(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cccc21 790957436 JHXCPANFPCGGEL-HXOBKFHXSA-N 445.519 4.472 10 20 IICD O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 793202078 FCIHKCRGTUWQGQ-UHFFFAOYSA-N 441.468 4.243 10 20 IICD C[C@@H](CCc1ccc(I)cc1)NC(=O)N(C)Cc1ccccc1O 793353049 QFWRXQNGQMTFCU-AWEZNQCLSA-N 438.309 4.160 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(C)c(N4C(=O)CNC4=O)c3)c2C)c1 794265114 GNDHOSAAXUEYAT-UHFFFAOYSA-N 430.508 4.328 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 795611972 VKDIQDFUGOXMDT-UHFFFAOYSA-N 425.875 4.181 10 20 IICD C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C[C@@H](C)O2 797541184 CABUYUMNOAVSOE-GGUMNFRJSA-N 436.512 4.226 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 798089719 RGPIDWGIYLMXIB-SIKLNZKXSA-N 431.939 4.043 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ncnn3-c3ccccc3)cc2Cl)C1 799982953 RGLKWVMXZFZCGB-KRWDZBQOSA-N 438.963 4.156 10 20 IICD Cc1cc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CC(C)C)c(C)n1-c1ccccc1 802676403 QAQXBNGXMZYHFW-UHFFFAOYSA-N 448.571 4.087 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(=O)c2cc(Br)ccc2[nH]1 813682361 CLGUEPLXVDIMOI-UHFFFAOYSA-N 442.096 4.233 10 20 IICD O=C(COC(=O)c1ccoc1C1(O)CCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 815450777 OTVPENWPDHVSGE-UHFFFAOYSA-N 449.463 4.489 10 20 IICD Cc1cc(C(=O)N2CCC(OC(=O)N(C)C)CC2)c(C)n1-c1cccc(Br)c1 818687872 HBCUCECWGBHEMI-UHFFFAOYSA-N 448.361 4.159 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4c(s3)CCc3ccccc3-4)cc2C[C@@H]1C 831884884 UGQQUMJUXVVNSG-ZDUSSCGKSA-N 439.562 4.007 10 20 IICD O=C(NCC[C@H]1C(=O)Nc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915731053 SERDMTGKYFHZMX-HXUWFJFHSA-N 427.464 4.283 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4c3OCCCO4)SC2=S)cc1 917643191 UXIIQOXBSJIMMR-QGOAFFKASA-N 441.530 4.430 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2)cs1 918140700 OECHMETVFVTRCG-ZIAGYGMSSA-N 428.533 4.129 10 20 IICD COc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918222800 XHKUQHMJKMJNES-BSRJHKFKSA-N 441.547 4.495 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 920868458 FLBZDKOFZQEUEQ-INIZCTEOSA-N 432.362 4.188 10 20 IICD COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cn1 1317770971 BFXSVGKTZSMYTI-UHFFFAOYSA-N 444.846 4.108 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc2Cl)C1 1321717524 WUIOGLCCJBDGBI-CQSZACIVSA-N 441.881 4.073 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC4CCC4)CCO3)C2)cc1 1781752710 RBHOWJHREHHVLO-MHZLTWQESA-N 449.595 4.118 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3Cl)C2)cc1 1844405207 OHXQKLLGVZEDKG-UHFFFAOYSA-N 448.954 4.273 10 20 IICD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 10963524 XEOVDUKWDOAEED-IBGZPJMESA-N 443.613 4.026 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N3CCCC3)cc2)nnc1-c1cccs1 28046955 OGQMZRNHYOEDTO-UHFFFAOYSA-N 427.599 4.035 10 20 IICD O=C1COc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)cc2N1 29071872 JHRKUIJMNKOQGO-SFHVURJKSA-N 449.532 4.035 10 20 IICD CCc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccccc1Cl 97576307 BOFPGMJPYLGTTP-QGZVFWFLSA-N 440.931 4.010 10 20 IICD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C)n(-c2ccccn2)c1C 106072534 ZVEDTHOGSZVHIE-UHFFFAOYSA-N 444.457 4.397 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 236855952 OSMUDRZCCFTRLV-UHFFFAOYSA-N 439.434 4.139 10 20 IICD CCN(CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 726610211 JRGYWHSXRRUOPY-UHFFFAOYSA-N 446.542 4.473 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(Br)c(F)c3)CC2)cc1 726615067 ZEQBBEDZSQZXLL-UHFFFAOYSA-N 436.325 4.065 10 20 IICD C[C@H]1CCC[C@@](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)(N(C)C)C1 726707745 GNFSUZOMTWFATM-GAJHUEQPSA-N 438.563 4.067 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)n1-c1nccs1 727177167 XBWLGDLICFTNFQ-YBEGLDIGSA-N 434.656 4.340 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCc1ccncc1 728159993 DDLGSLMSMHGXQP-SAPNQHFASA-N 432.592 4.301 10 20 IICD Cc1cccc2c1CCN(C(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)C2 729226717 LRRTZLIGBCBGDG-UHFFFAOYSA-N 433.474 4.118 10 20 IICD Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CC2 730191159 JIXDAOJFKXDMBP-HXUWFJFHSA-N 426.428 4.096 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1F 731408795 WGHCMLXSVBDCES-UHFFFAOYSA-N 429.389 4.085 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 732560319 NYCMPZYDOPYTMP-NRFANRHFSA-N 444.579 4.325 10 20 IICD O=C(NCCCSc1nccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 733973552 OXXSZOVXQWEBHO-UHFFFAOYSA-N 430.521 4.072 10 20 IICD CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 734867516 OXLFPGDXBJXZPI-QFIPXVFZSA-N 429.992 4.369 10 20 IICD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 741709633 ONRWXTCUDRCVQI-QGZVFWFLSA-N 426.517 4.053 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)cc1 742497410 IAPPZPMASFJMNN-LJQANCHMSA-N 437.613 4.413 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)NC(=O)OC(C)(C)C)cc1 742752301 FVMWOXDPJCKWNH-HXUWFJFHSA-N 447.963 4.167 10 20 IICD Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C(=O)N(C)C 743186225 OZFHLEIYIVYXGM-KRWDZBQOSA-N 446.498 4.089 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2F)C[C@@H](C)O1 743554857 MTPJEPSNWDOLDU-KNKQGSTJSA-N 425.548 4.214 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccccc2F)C1 745903601 HSKIWZAJTFWDDX-KKSFZXQISA-N 449.473 4.179 10 20 IICD CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751298918 FFMAFHNLAVZWRM-UHFFFAOYSA-N 427.508 4.425 10 20 IICD CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c([N+](=O)[O-])cc1OC 754538964 FOHNXNMCQFCVDX-UHFFFAOYSA-N 446.415 4.030 10 20 IICD CCNC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756432183 IGVOCEONHWUCSN-LBPRGKRZSA-N 441.753 4.174 10 20 IICD O=C(NCCOc1cccc(C(F)(F)F)n1)N(Cc1ccco1)Cc1ccccc1O 759624481 ZDRLBBODPBUXKN-UHFFFAOYSA-N 435.402 4.190 10 20 IICD O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)N(Cc1ccco1)Cc1ccccc1O 761821549 PEOOVNRCGVUHHH-FQEVSTJZSA-N 437.471 4.032 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H](CC(C)C)c3nc(-c4nc[nH]n4)no3)c2C)c1 765151153 XKQDWAOSVSGVHI-HXUWFJFHSA-N 447.543 4.396 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1cccc(F)c1)c1ccccn1 765657218 GHCYSPSMOYPTIO-QHCPKHFHSA-N 436.556 4.363 10 20 IICD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 765841423 PRWQEIHFPLYKDC-HNNXBMFYSA-N 447.251 4.080 10 20 IICD COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(OCc2cccnc2)c1 767680892 KMRJDILYODYCDE-UHFFFAOYSA-N 447.579 4.168 10 20 IICD O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 767920632 QXVNMWHMSFQQFW-KRWDZBQOSA-N 427.455 4.469 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768916302 PAAVJMIGBQSHRO-LJQANCHMSA-N 441.963 4.074 10 20 IICD Cc1noc(C)c1CSCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 769652317 FOEIWIGFXGZSJV-UHFFFAOYSA-N 430.501 4.497 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(SC)cc3OC)cc2F)CC1 772655568 JLZLAEHXMCLCRL-UHFFFAOYSA-N 432.565 4.020 10 20 IICD C[C@@H](NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)c(F)c1 773017516 SAMGRCOBQKXTCA-CYBMUJFWSA-N 447.860 4.459 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(Cl)cc1Cl 774662953 MDSMDWUSMKAHTF-UHFFFAOYSA-N 434.367 4.259 10 20 IICD COCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1 778759175 ZMJSTPONCVXALR-APWZRJJASA-N 437.487 4.235 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccc(CN3CCN(C)CC3)cc2)c1O 779003622 LITRBAIYRPELKW-KRWDZBQOSA-N 432.406 4.061 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1F 790611239 VXFOXZKIDHUFKQ-VWLOTQADSA-N 438.547 4.187 10 20 IICD C[C@H](Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(N2CCOCC2)cc1Cl 797144654 XUMCCZNOXFYFKJ-HNNXBMFYSA-N 437.918 4.465 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 799204458 ODQNJZSXQFWYAS-WQRHYEAKSA-N 431.535 4.122 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(N4CCNC4=O)ccc3F)cc2Cl)C1 800049994 LKPULFVSXSHSDA-OAHLLOKOSA-N 444.938 4.175 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc(N(C)C)cc1 800627569 RKPICAAOBZFHOC-LBPRGKRZSA-N 443.853 4.163 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 801549408 NEICXNYGCXREAV-UHFFFAOYSA-N 430.508 4.489 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2nnn(Cc3ccccc3F)c2C)cc1F 801808622 QASBCMTYLJNSNA-UHFFFAOYSA-N 428.487 4.081 10 20 IICD C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1cc(Br)cc(F)c1O 802316100 JFRBMKIALIDIRV-RFAUZJTJSA-N 433.115 4.441 10 20 IICD C[C@@H]1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1Cc1ccccc1 804175391 VQPRCPUNFINVIH-VQIMIIECSA-N 429.467 4.110 10 20 IICD Cc1cc(C(=O)N[C@H](c2nncn2C)C(C)C)c(C)n1-c1cccc(Br)c1 804261795 VSQZWIDQWHFTSE-SFHVURJKSA-N 430.350 4.112 10 20 IICD O=c1c(Cl)c(/C=C\c2ccc(N3CCOCC3)cc2)nc2ccc(Br)cn12 806564253 NLEQDHWMTQCNNT-CLTKARDFSA-N 446.732 4.117 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCn4c(C5CCCC5)nnc4[C@@H]3C)cc2)CC1 806766381 TUCYWAODSPVLSE-IBGZPJMESA-N 436.604 4.458 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(N(C)C)cc1 807460712 KZSIQOIPVSOSIU-UUOWRZLLSA-N 433.527 4.169 10 20 IICD O=C(Nc1cccc(C2CCC2)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 812964173 HOHGAICMFSPMPG-UHFFFAOYSA-N 443.494 4.279 10 20 IICD O=C(Cc1cc(Cl)cc2c1OCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 857457362 UUXFDSMRCFHYRR-QGZVFWFLSA-N 436.886 4.204 10 20 IICD CCCn1c2ccccc2c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nc21 913234677 JVZHJXPJYCTFCL-UHFFFAOYSA-N 448.596 4.206 10 20 IICD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 914440268 VIZIZYCTTKRIKJ-UHFFFAOYSA-N 435.597 4.190 10 20 IICD CCCCOc1ccc(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 916393590 BQXUTAIZLVFIGP-UHFFFAOYSA-N 425.573 4.086 10 20 IICD C[C@H](COc1ccccc1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 917776121 JVNQHVFHIBKJRU-QLENYVDCSA-N 446.619 4.313 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3cc(OC)c(OC)cc3C)CC2)cc1 918066260 QYJIERQABQBAOA-SFHVURJKSA-N 427.545 4.004 10 20 IICD COc1ccc(Br)c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 918084758 IVSDEVLRQXQRQS-UHFFFAOYSA-N 432.362 4.398 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 918127494 SNDFRWYWNICYKJ-YADHBBJMSA-N 429.561 4.098 10 20 IICD Cc1ncc(-c2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)o1 918293744 FOZDKVXALKXQLN-UHFFFAOYSA-N 431.448 4.116 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2nc3ccccc3s2)CC1 919790689 XZEMCJWTHCHKIU-UHFFFAOYSA-N 436.581 4.222 10 20 IICD Cc1sc(-n2cccc2)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 1319088620 DDMQQQCMHZYFOH-UHFFFAOYSA-N 427.545 4.186 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 1322376389 CNBVHBLRSAQZHA-UHFFFAOYSA-N 429.567 4.172 10 20 IICD Cc1c(F)cccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788425498 VKTSTHSJBRHJSP-UHFFFAOYSA-N 435.455 4.002 10 20 IICD Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1808082490 RAKMEBFBUPRQMN-UHFFFAOYSA-N 448.972 4.280 10 20 IICD COc1ccc(OC)c(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 10192087 TXMHOOSITGKURW-UHFFFAOYSA-N 426.444 4.046 10 20 IICD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)NC1CCCCC1 10732551 LBYFNOFFNWNWPZ-CYBMUJFWSA-N 439.895 4.110 10 20 IICD Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)c1C 18215378 MRTBDWWSQNUXNJ-UHFFFAOYSA-N 437.565 4.100 10 20 IICD NC(=O)c1ccc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 21729493 IWBPPZVLCYGDOZ-GOSISDBHSA-N 438.509 4.029 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)cc1 726713048 JMLKDDFRTJAPLB-UHFFFAOYSA-N 435.524 4.375 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc21 728459725 BTQPWCQJVKELRC-FQEVSTJZSA-N 449.551 4.066 10 20 IICD Cc1cc(C(=O)NCc2cc(F)ccc2N2CCOCC2)c(C)n1-c1ccc(F)cc1 740846566 JVLQRZCBIAVINC-UHFFFAOYSA-N 425.479 4.139 10 20 IICD Cc1cc(C(=O)Nc2ccc(CNC(N)=O)cc2)c(C)n1-c1ccccc1Br 742384815 UFQYFHASLYETHS-UHFFFAOYSA-N 441.329 4.277 10 20 IICD Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1-c1cccc2cccnc12 743429642 WCOCRYBWEVRGER-UHFFFAOYSA-N 439.475 4.265 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2nc[nH]c2c1 743940874 MELWKANRHAWUGC-YBEGLDIGSA-N 428.564 4.245 10 20 IICD CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 744379015 QCNXXFJQDJYMPD-KGLIPLIRSA-N 438.505 4.116 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)cc1 747496289 VHVAJPHIYDPCGG-UHFFFAOYSA-N 432.952 4.023 10 20 IICD CN(C)c1cccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 748290156 OUJPVGBYDDCUJO-QGOAFFKASA-N 445.635 4.112 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OC2CCC2)c(F)c1 748948862 NMJYHSVLHAHGHM-UHFFFAOYSA-N 431.483 4.179 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 756864277 VHNBKPGJPBONNG-STQMWFEESA-N 429.355 4.053 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 761974219 VGJPGLYCTCWGFE-GFCCVEGCSA-N 430.555 4.025 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OCC(F)(F)F)cn2)cc1 764823039 LDZIHFVMWQKWIX-UHFFFAOYSA-N 435.368 4.293 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 765079280 MNAKKFSHAIUMSD-PEGYKEAPSA-N 426.504 4.130 10 20 IICD COc1ccc(CC[C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765283241 YEKQLKWVTZADGA-FQEVSTJZSA-N 449.574 4.062 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 765324298 MGMWSHAJOLQTCN-DENIHFKCSA-N 445.510 4.476 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 765899301 VTRPTRVTOGLVRZ-RDTXWAMCSA-N 434.418 4.202 10 20 IICD COc1ccc(N2CCC(Nc3ccccc3OCC(=O)Nc3cccnc3)CC2)cc1 768274602 AXPQLWGDOYCXEK-UHFFFAOYSA-N 432.524 4.189 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(Cc2cccnc2)CC1 771420461 HRCLYMLZPREOAP-HXUWFJFHSA-N 444.526 4.316 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4cnn(C)c4Br)no3)ccc21 771560197 KOVSMHJZTYEOKJ-UHFFFAOYSA-N 430.306 4.118 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 772141584 FSTYVQWLOCOHGE-IBGZPJMESA-N 447.461 4.403 10 20 IICD Cn1ccnc1[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 775190427 WBMKRDQPHDNMNP-LLVKDONJSA-N 429.156 4.030 10 20 IICD C[C@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 775253738 DLFRHJBWEVBYRM-FQEVSTJZSA-N 443.547 4.044 10 20 IICD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCCc2ccc(O)c(O)c2)c1C 775355395 MDDPGDIOZLQWKC-UHFFFAOYSA-N 445.317 4.027 10 20 IICD C[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 775403285 JDUREGJVOHOJFP-SFHVURJKSA-N 437.565 4.069 10 20 IICD CC[C@@]1(C)Oc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2O1 785864930 QCQXZQAFEHNCNK-DEOSSOPVSA-N 425.529 4.114 10 20 IICD O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)Nc1ccc(N=Nc2ccccc2)cc1 786586129 VCZCBKBXHMDDBF-QGZVFWFLSA-N 448.401 4.137 10 20 IICD Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 786999026 MJJPJJLRNXLZRX-NQIIRXRSSA-N 425.548 4.183 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)cc1 792965966 JZLMZWRRJYVDAR-UHFFFAOYSA-N 438.528 4.088 10 20 IICD COc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(O)c1 794379656 UTKKTRDDUQOLRV-JYFHCDHNSA-N 444.531 4.197 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 800848555 ZVYFYNSOECFYBC-IRXDYDNUSA-N 440.494 4.003 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 802609606 GREPEFPUQRLYIS-UHFFFAOYSA-N 436.512 4.080 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807673956 CLIYJIIZUHLNNK-PAXLWEDBSA-N 447.501 4.401 10 20 IICD CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 808525708 GGRYOTOSRFRUAX-UHFFFAOYSA-N 436.580 4.103 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H](c4ccccc4)OC3=O)cc2Cl)C1 809802631 CZHOLYRLFSOPBE-GTCCEBARSA-N 426.944 4.497 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC12CCC2 813794140 JJXSBBDUBWOIES-GOSISDBHSA-N 443.588 4.392 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)N(C)[C@H](C)C2)sc(C)c1-c1ccccc1 815178814 JFDAKEYXZPZIGA-CALCHBBNSA-N 443.613 4.253 10 20 IICD Cc1c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cccc1-c1ncco1 815371098 ILKXJNIEAMRBKK-UHFFFAOYSA-N 432.524 4.237 10 20 IICD CC(=O)NCC(=O)Nc1nc(-c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cs1 842486282 DNJTXUXQCYLXAV-UHFFFAOYSA-N 436.459 4.311 10 20 IICD O=C(CSc1nnc(O)n1C[C@@H]1CCCO1)Nc1ccc(N=Nc2ccccc2)cc1 844263074 VLLGVVRITMGNHX-SFHVURJKSA-N 438.513 4.309 10 20 IICD Cc1ccc(N=Nc2cc(C)ccc2NC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 915128517 NGCOYYVBWUWCDT-UHFFFAOYSA-N 437.525 4.373 10 20 IICD Cc1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c(C)n1-c1cccc(C(C)C)c1 917075315 LCPQJHKXUCYFNW-UHFFFAOYSA-N 426.542 4.085 10 20 IICD COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3O)C2)c2ccccc12 917309841 HHCSVIDQDUCZIB-IBGZPJMESA-N 432.520 4.065 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c(F)cc2N1 917847224 CEUPLNQSORNGKC-UHFFFAOYSA-N 437.905 4.288 10 20 IICD C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918225005 ZHMPLWHSELYOIF-OAHLLOKOSA-N 428.533 4.175 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)c1 918305980 QOLAYPIDQAGOLT-UHFFFAOYSA-N 433.508 4.151 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(N2CCCCC2)c1 919823648 UGMUJTNYKLDJEU-UHFFFAOYSA-N 441.597 4.412 10 20 IICD C[C@H](NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 920871694 NJPPNJPLEYYZNN-INIZCTEOSA-N 437.462 4.025 10 20 IICD Cc1ccccc1-n1c(C)cc(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)c1C 1326917856 NOSTWNLUVNHKHO-UHFFFAOYSA-N 436.537 4.370 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 1330039297 CBGBJSJWVLUGMW-UHFFFAOYSA-N 432.405 4.174 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)c1 1338915292 IAWWHCQDUUOUPU-KBXCAEBGSA-N 447.373 4.430 10 20 IICD O=C(/C=C/C1CC1)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1786160729 ILMSHKSVZHWVGO-RUDMXATFSA-N 426.900 4.465 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)Cc2ccc(F)cc2)C3)cc1 1845398237 NUGDZMSAJJHSIB-UHFFFAOYSA-N 445.538 4.293 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NC(=O)Nc1ccccc1 21729086 UNPYODAVQQXWJP-IBGZPJMESA-N 436.537 4.170 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)SC1=S 40006448 BJSHUBGYCSKENX-PDGQHHTCSA-N 431.510 4.471 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COc3cccc(S(C)(=O)=O)c3)c2C)c1 107674876 DBTXSZGFYGTCDD-UHFFFAOYSA-N 429.563 4.481 10 20 IICD O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 250089679 TVKRYLWVRZYMER-YMPZKCBVSA-N 428.504 4.142 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)ccc21 486531254 HETNQSHYGMOLAI-QHCPKHFHSA-N 428.479 4.396 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(I)cn3)ccc21 525051867 GPGCWBKEBFWWEB-UHFFFAOYSA-N 449.292 4.156 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)sc2C)cc1 727241763 FATCTVSABSFHPH-UHFFFAOYSA-N 426.523 4.114 10 20 IICD CCCCN(C)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 730680000 HNZPXKICRMVSGE-UHFFFAOYSA-N 435.524 4.389 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)C[C@H]2CCCOC2)sc(C)c1-c1ccccc1 730808043 GIOJKEYOKIXOCY-QGZVFWFLSA-N 430.570 4.197 10 20 IICD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1SC 731016155 OLKIATKCEZPSHN-UHFFFAOYSA-N 429.542 4.492 10 20 IICD C[C@H]1CN(Cc2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)C[C@H](C)O1 735927388 QVNNQXULVRKJMJ-PMACEKPBSA-N 434.536 4.437 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](OC)c3ccc(Cl)cc3)CC2)cc1 736402966 NILZJQOPABRLLI-AOMKIAJQSA-N 431.964 4.393 10 20 IICD COC(=O)CCCc1nnc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)s1 739829380 GUESDSCTLUIPTA-UHFFFAOYSA-N 432.933 4.347 10 20 IICD CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 742922020 QGYIJJVEECFOLN-LKKYZFDUSA-N 426.654 4.084 10 20 IICD COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743687312 PYWXZXBQXLCHMH-IAGOWNOFSA-N 449.498 4.032 10 20 IICD COc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1Br 746740719 RBAUTGFKXPSQEK-INIZCTEOSA-N 435.318 4.376 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1Cl 748091778 JJBSXQVZTCFBPW-UHFFFAOYSA-N 425.894 4.362 10 20 IICD C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 751356260 RIHHRNJWPKGHRP-DOTOQJQBSA-N 440.455 4.388 10 20 IICD Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751929681 AYJBVOPGQDSTQU-CYBMUJFWSA-N 429.929 4.462 10 20 IICD Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753635596 FXWOSUTYSYSGOI-LBPRGKRZSA-N 434.323 4.319 10 20 IICD Cc1ncc2c(n1)CC[C@@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)C2 756396540 OLEAVQPNEDVTOI-TVQRCGJNSA-N 441.167 4.224 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1 756770143 TVLINLJJSFLPLJ-UTKZUKDTSA-N 446.588 4.431 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)cc1 756961493 OUEHSMPEEOTGQZ-UHFFFAOYSA-N 435.471 4.205 10 20 IICD COc1cc(C)nc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 757690047 ZLJZLBCIJOQTRM-GZTJUZNOSA-N 448.591 4.185 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 758417240 XDSYQQOZHGHZKR-CYUIRQCWSA-N 429.519 4.041 10 20 IICD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 759194215 KFXTXJHIKDRHGV-HNNXBMFYSA-N 444.438 4.005 10 20 IICD Cc1cc(CC(=O)N2CCC(N3CCCCC3=O)CC2)c(C)n1-c1ccc(Cl)cc1 763817863 URVQEBXRCZQUJM-UHFFFAOYSA-N 427.976 4.294 10 20 IICD CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 765765163 OQAQCMLHOHNREH-INIZCTEOSA-N 435.318 4.037 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(CN4CCCC4=O)o3)c2C)c1 767123510 PZDQUUCXLBMCKK-UHFFFAOYSA-N 438.553 4.191 10 20 IICD O=C(Nc1cnc(Cl)c(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 767896715 HOBDZKDVZKCUFR-CQSZACIVSA-N 440.725 4.416 10 20 IICD COc1ccc2c(c1)OC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C2 768113819 SSVDZMYABBDBOQ-HXUWFJFHSA-N 435.524 4.070 10 20 IICD CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(-c2ccccc2)ccc1O 769124841 LRRNFHMOFXZUGK-UHFFFAOYSA-N 425.550 4.364 10 20 IICD Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@@H]3COCC[C@@H]32)cc1 769347777 ZMCMSFMPUBAFLU-PZJWPPBQSA-N 442.606 4.072 10 20 IICD COc1ccccc1N(C(C)=O)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1 772777633 WOLHDJZTKHAIQJ-CSKARUKUSA-N 440.477 4.004 10 20 IICD CC(C)Sc1cc(Br)ccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 779706557 HWKRAKRUHOOJNH-LFYBBSHMSA-N 432.386 4.235 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C(F)(F)F)CC[C@H]3C)cc2F)C[C@@H](C)O1 779979526 BPLOLVMGYLBVAI-PNBKFKSVSA-N 431.474 4.312 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)c4cccc(OC)c4)cc3)CC2)cc1 780559124 WUJCYTFKBUYWFK-UHFFFAOYSA-N 444.531 4.334 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 783317500 VRGXJGMBAQNFIQ-UHFFFAOYSA-N 446.551 4.102 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 783318403 XSGQSJAXZGYLCU-UHFFFAOYSA-N 436.600 4.114 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)C2CCCCC2)cc1 784061696 SJFATKLWOICRRD-UHFFFAOYSA-N 434.540 4.090 10 20 IICD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784110608 DLXPTTKZBVYUNR-UHFFFAOYSA-N 437.540 4.341 10 20 IICD CC(C)Cc1ncc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 791982954 FBCQPAGUBVYKDW-YBEGLDIGSA-N 446.623 4.357 10 20 IICD Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1-c1cccc(Br)c1 799249932 ZLMGVMMAAHYPTP-UHFFFAOYSA-N 445.317 4.125 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCC2(CCOCC2)C1 802440632 FVHNEUUKTKNKMM-UHFFFAOYSA-N 449.599 4.396 10 20 IICD CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 804968031 PQQJBSHYWUCWAT-UHFFFAOYSA-N 425.316 4.228 10 20 IICD Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807513856 WVANTGXLLDDEAH-UHFFFAOYSA-N 430.291 4.324 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 915342944 IXVOLVSVHZCUIV-QHCPKHFHSA-N 436.556 4.458 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1nccnc1-c1nc2ccccc2s1 917387225 XHMWGAGPEMMFJB-UHFFFAOYSA-N 447.589 4.237 10 20 IICD CO[C@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1 918018440 UHTWTILIQQVWJV-GFWHJHDHSA-N 446.619 4.233 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2c(c1)CC(=O)N2 918273519 RFBKSRQUDYYMOD-OAHLLOKOSA-N 427.464 4.413 10 20 IICD CN(C)C(=O)C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1 920049765 WCWOKBFKIVOVIJ-XMMPIXPASA-N 448.567 4.277 10 20 IICD O=C(Nc1cccc(COCC2CC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 920922390 JYHYHUBDBAQLNN-UHFFFAOYSA-N 434.492 4.079 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC(C)C)cc3)n2)cc1 1320022549 MTPRVTPLYHNMRT-UHFFFAOYSA-N 445.566 4.034 10 20 IICD COc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1C 1322007583 CSTJUMIOPUSXTA-KGENOOAVSA-N 441.622 4.398 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)CC2)cc1 1342337716 LMTJWJMFTBIIJK-UHFFFAOYSA-N 444.457 4.299 10 20 IICD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1 10732449 NHBPBVYZYYJYGZ-CYBMUJFWSA-N 433.847 4.299 10 20 IICD CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1C1CC1 17827724 UHOYTTOULPNSTD-CYBMUJFWSA-N 446.532 4.070 10 20 IICD CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 23106900 JUJBFDZBRIETBX-QFIPXVFZSA-N 441.597 4.307 10 20 IICD Fc1cc(CNCc2cc3ccccc3nc2N2CCCCC2)ccc1N1CCOCC1 237807816 DSVMCXGTUHQHJN-UHFFFAOYSA-N 434.559 4.491 10 20 IICD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1 303184310 KXIOTSGZWWWOME-KRWDZBQOSA-N 428.536 4.424 10 20 IICD O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)Nc1ccc(N=Nc2ccccc2)cc1 727524984 FEAFWKULIIFRAQ-UHFFFAOYSA-N 429.436 4.262 10 20 IICD Cc1ccc(C(=O)N2CCC(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)cc1 727606076 ADGRDABHYODMCQ-UHFFFAOYSA-N 448.611 4.432 10 20 IICD COc1ccc2c(c1)CCCN(C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2 728597303 NZBLUMTUQGBKJM-HDICACEKSA-N 441.547 4.106 10 20 IICD C[C@H](c1nnnn1-c1ccccc1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731035411 WADCLEHUYPBAOH-QGZVFWFLSA-N 434.544 4.201 10 20 IICD O=C(OCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)c1cc(O)cs1 732353169 NBASJZCFERGZLI-UHFFFAOYSA-N 428.535 4.179 10 20 IICD O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735520100 WAHFFKHPPXZQSM-GOSISDBHSA-N 439.493 4.245 10 20 IICD CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 741730355 OZWDXMOYWDMWJS-UHFFFAOYSA-N 441.881 4.266 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1Br 746391789 ALWFQJVTORYFFZ-OQLLNIDSSA-N 433.352 4.262 10 20 IICD Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)N2CCCC2)cc1 747306143 UHAKFBUNPNLNPX-BJKOFHAPSA-N 437.584 4.228 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(N2CCSCC2)c(Cl)c1 748997031 BLLBVKZBYYZWFU-UHFFFAOYSA-N 447.004 4.052 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1)c1ccccc1 749190824 NHKUHPVCSVHXCI-VWLOTQADSA-N 448.611 4.271 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1O 750058125 QXWJPMFADNWEKR-UHFFFAOYSA-N 440.968 4.144 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)nc1-c1cccc(Cl)c1 751126608 MOINQDXSEYYSDF-UHFFFAOYSA-N 431.926 4.414 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccccc1Br 751467621 RFGGEIOTAZLPNB-UHFFFAOYSA-N 449.164 4.128 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cccc(C(=O)NCc4ccco4)c3)cs2)cc1 751930250 BWWZKSYOJSNLOX-UHFFFAOYSA-N 447.516 4.196 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@@H]1c1cccs1 751931652 RSSMDUZNGBKTRG-KBXCAEBGSA-N 441.578 4.287 10 20 IICD O=Cc1ccc(OCc2occc2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 752151634 JUXVKVLZKXHXAR-NRFANRHFSA-N 435.476 4.198 10 20 IICD Cc1nn(C(C)(C)C)cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 752478763 GVNJZJVSBYHZKS-FQEVSTJZSA-N 443.592 4.008 10 20 IICD CCOC(=O)C(F)(F)[C@H]1CC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 760173082 VOLHJOLCCATGIL-GOEBONIOSA-N 432.458 4.214 10 20 IICD C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(N2CCOCC2)cc1Cl 764725178 YYFIMSNBWVDUJL-CYBMUJFWSA-N 439.869 4.089 10 20 IICD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 769753265 PXOJKNBUURWIPE-INIZCTEOSA-N 440.521 4.464 10 20 IICD CN1CCN(c2ccc(CNC[C@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc2)CC1 771867431 ZJWBUXVUQNNGFH-YKSBVNFPSA-N 430.999 4.014 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)c(C)s3)cc2)cc1 773225861 KOLCKPZAKLKWPI-UHFFFAOYSA-N 436.580 4.275 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 773767472 NQNKQAPHSZFUIB-KRWDZBQOSA-N 445.494 4.380 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 774108217 LDUDNMZMEHWYMQ-NRFANRHFSA-N 437.540 4.295 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)nc1-c1ccccc1 775207829 JRQGDAXEZOSQSC-UHFFFAOYSA-N 443.550 4.283 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 780417166 LVZQOGGFWOCTRS-UHFFFAOYSA-N 427.504 4.042 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c(OC)c1 785544621 ZERTVPRLUXZBRM-UHFFFAOYSA-N 432.523 4.023 10 20 IICD Cc1cc(C)c([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c(O)c1 788691280 ZPZRBURGGJDQPL-FQEVSTJZSA-N 430.614 4.422 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSc1nc2ccccc2o1 791247388 XSDTZWZDUOTOOK-UHFFFAOYSA-N 441.553 4.309 10 20 IICD CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)c2)C1=O 794266488 OEXAQDKLTKZUAL-QFIPXVFZSA-N 430.508 4.490 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 797072748 XNMIEBQRQRPQSN-UHFFFAOYSA-N 446.372 4.390 10 20 IICD OC1(c2scnc2Br)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 797604336 PAVDIZSDIAPWSS-UHFFFAOYSA-N 436.419 4.380 10 20 IICD COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1NC(=O)OC(C)(C)C 797614915 HNLBUIKWFAOOTO-CYBMUJFWSA-N 431.489 4.206 10 20 IICD Cc1c([C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)C)oc2ccccc12 805893277 QSZNJGJXFASAJM-QHCPKHFHSA-N 431.536 4.247 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCc4ccc(Br)cc4C3)CC2)cc1 806684614 YERKKPNQOXQKAH-UHFFFAOYSA-N 444.373 4.194 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 807095410 DAOVERZGSNJKFV-HZPDHXFCSA-N 435.490 4.004 10 20 IICD C[C@@H](NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(N(C)C)cc1 807636287 RZEIEKIICWOPBL-MRXNPFEDSA-N 447.501 4.187 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1cccc(F)c1 914445688 JUBHRKODJVHBOK-LGMDPLHJSA-N 434.583 4.228 10 20 IICD Cc1cc(CCNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(C)n1-c1ccccc1 915346185 NJARXBHYBPJJQJ-UHFFFAOYSA-N 444.535 4.107 10 20 IICD COCCOc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 915774376 VHGJLZQJILJIGW-UHFFFAOYSA-N 432.480 4.382 10 20 IICD Cc1ccc(CN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C2CC2)o1 916444900 YNJRBLWFRKSPGL-UHFFFAOYSA-N 430.416 4.076 10 20 IICD CCCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 918039130 YQIZWNJUJIVDEZ-QGZVFWFLSA-N 444.963 4.152 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCSc2c(F)cccc21 918210296 LMEHJSFCZVDPBY-OAQYLSRUSA-N 429.561 4.071 10 20 IICD COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1F 920192730 OZRAYEKNPHFMSN-UHFFFAOYSA-N 438.455 4.238 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 11437028 TYAMYSGLRRESBU-FQEVSTJZSA-N 447.535 4.115 10 20 IICD CCn1c(SCC(=O)NCc2ccc3c(c2)CCCN3C)nnc1-c1cccc(C)c1 302982308 KQQSKCJBNDTVEM-UHFFFAOYSA-N 435.597 4.064 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)/C=C\c3cccc(OC4CCCC4)c3)cc2)C1 727665914 XDOINGDHMQGPIA-OOZJCBPQSA-N 447.579 4.039 10 20 IICD CCc1c(C(=O)N[C@H](C)c2cc(OC)ccc2O)cnn1-c1ccc(Br)cc1 729534715 CHQBLIYMUFSWOU-CYBMUJFWSA-N 444.329 4.402 10 20 IICD C[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 729659623 XFGYZHBYBITKAV-AWEZNQCLSA-N 426.428 4.209 10 20 IICD COc1ccc(CSCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 731015773 GADBRZPOGPWDDV-UHFFFAOYSA-N 443.569 4.389 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1F 731346504 XOZLRDLRONGTND-UHFFFAOYSA-N 439.575 4.160 10 20 IICD COc1ccc(O)c(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 734015458 LLQXPDGMHBYQEN-UHFFFAOYSA-N 439.356 4.207 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 734649014 XAWOMIYOFLYNAW-UHFFFAOYSA-N 441.528 4.355 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 734701577 GIWYTIVUWMCUSO-UHFFFAOYSA-N 433.508 4.117 10 20 IICD COc1ccc(N2CCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)CC2)cc1 735491106 FLKJHCNAWPMNJE-HHHXNRCGSA-N 427.397 4.322 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1Cc1ccccc1 742799007 GEWJYUOFFNROAO-LJQANCHMSA-N 440.494 4.240 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 747503424 BBHHCOCCJVMNHO-HHHXNRCGSA-N 430.596 4.261 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cc5ccccc5o4)cs3)ccc21 748813496 SORBWSQBKYUVJW-UHFFFAOYSA-N 439.518 4.266 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)c(F)cc1F 749010434 MSQOYQNPAFJRSV-UHFFFAOYSA-N 449.504 4.090 10 20 IICD O=C(NCc1ccc(Oc2ccccc2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 749419796 CZUBCDIBFKFRIW-JOCHJYFZSA-N 433.508 4.470 10 20 IICD O=C1CCCc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc21 750226647 YZXONCXOGBRMGJ-UHFFFAOYSA-N 440.411 4.142 10 20 IICD COCCN(Cc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(OC)c(OC)c1 751476101 UTMGZAJCFOKHIJ-UHFFFAOYSA-N 437.418 4.024 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc4ccccc4o3)cc2)cc1 753978590 QDRYOHTZAITAAE-UHFFFAOYSA-N 442.518 4.343 10 20 IICD CCN1CCN(Cc2ccccc2CN[C@H](C)c2ccc(Br)cc2O)CC1 756430968 AJGPEAPWFOKQNP-QGZVFWFLSA-N 432.406 4.143 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)cc(Cl)c1O 756451324 ZFMMWVUJBNLNMY-CYBMUJFWSA-N 425.754 4.496 10 20 IICD CS(=O)(=O)Cc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F 759516977 LPCKHLAYSKJAFW-UHFFFAOYSA-N 434.533 4.443 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 759586021 WSJIYBAVXFRGSN-CQSZACIVSA-N 442.557 4.195 10 20 IICD Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 759774113 KRQPEZBUWHFPSF-FQEVSTJZSA-N 432.012 4.020 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)cc1F 764255768 WQKFWFVPHUBZSD-UHFFFAOYSA-N 444.304 4.062 10 20 IICD CC(C)Cn1cnc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1 764532605 GBRKZCUPQOJDOV-UHFFFAOYSA-N 441.376 4.226 10 20 IICD COc1cc(OC)c(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c(OC)c1 768230200 SFHYVLCANBLABA-UHFFFAOYSA-N 436.892 4.359 10 20 IICD CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 768822535 DDGJASWSIDXBFM-LEWJYISDSA-N 425.331 4.059 10 20 IICD CCCN(Cc1ccccc1F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769671234 IDMNFUBMZDWVOO-UHFFFAOYSA-N 448.541 4.446 10 20 IICD CN(C)Cc1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 771371324 SFVARQLODXRZOM-UHFFFAOYSA-N 442.607 4.365 10 20 IICD C[C@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccc(N2CCOCC2)cc1Cl 772982809 ZJACITVMYOFRHR-SFHVURJKSA-N 427.976 4.150 10 20 IICD C[C@@H](c1ccncc1)N1CCC(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 773087377 LBEDDUVEYQJSTJ-MOPGFXCFSA-N 429.008 4.448 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)c1ccc(N(C)C)cc1 773860091 YQVOBEZRZTYTHA-JTQLQIEISA-N 442.716 4.124 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](c3cccc(C(F)(F)F)c3)C3CC3)cc2)CC1 774420197 RMRQXJROMOCIFJ-NRFANRHFSA-N 438.515 4.181 10 20 IICD CC[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1O 775491332 IPVDPDLXOZGTSV-GOSISDBHSA-N 426.376 4.201 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cnn(Cc4ccc(F)cc4)c3)SC2=S)cc1 780142047 AURYTVVYKKMMOG-GRSHGNNSSA-N 425.510 4.485 10 20 IICD COc1ccc(C[C@@H](C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 781154607 SOLMPJQGLCHBDX-MRXNPFEDSA-N 448.510 4.269 10 20 IICD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 784108654 IYAVBTKGSYNCEC-CXUHLZMHSA-N 435.524 4.007 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3cccc(C(F)(F)F)c3)cc2)CC1 786261323 ATBGNDHSJZMABT-UHFFFAOYSA-N 447.501 4.013 10 20 IICD O=C1CSc2ccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2N1CC(F)F 790617688 BRKBYESYOMVWKH-UHFFFAOYSA-N 429.832 4.270 10 20 IICD CC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc(Br)ccc1O 794826614 DCHZEMLHUSTAPE-GDBMZVCRSA-N 442.151 4.185 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2Cl)C1 800564406 AZRSCQFSJAXRAL-FOIQADDNSA-N 431.968 4.483 10 20 IICD COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1OC 810256431 ZLNGWXZARBLIPP-AVRWGWEMSA-N 430.564 4.478 10 20 IICD CCCNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 823812832 KXCVPSMTOVREMN-UHFFFAOYSA-N 447.526 4.116 10 20 IICD Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC(F)(F)F 857455783 IJEDDUYJKMPSAC-CYBMUJFWSA-N 445.388 4.168 10 20 IICD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 915083996 UHQCAZRDKIWZDQ-SFTDATJTSA-N 449.595 4.385 10 20 IICD COCCOc1cc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1OC 915345666 VVKARUOCMREUPB-UHFFFAOYSA-N 437.540 4.492 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnn(Cc2ccccc2)c1 916835212 KKKLSCVZNWWPEJ-UHFFFAOYSA-N 430.474 4.077 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H](C)c3cccc(Cl)c3)CC2)cc1 918198964 WTZNGBVZBLQBLB-LJQANCHMSA-N 445.007 4.263 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)cc1 918227877 APQGRJKDBDXPSX-HSZRJFAPSA-N 425.573 4.432 10 20 IICD COCCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918477481 JOLVWXMLHDEQNN-UHFFFAOYSA-N 432.480 4.382 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 1251530923 QBNQSYGVWYBRCT-UHFFFAOYSA-N 445.566 4.036 10 20 IICD CC(C)OC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCC2 1317825757 SYEYGICTDKNLBC-INIZCTEOSA-N 426.538 4.281 10 20 IICD CCCCN(Cc1c(O)ccc2cc(Br)ccc12)[C@H]1CCS(=O)(=O)C1 14261257 CXVIOWQZKCWAMO-INIZCTEOSA-N 426.376 4.097 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC1=S 40006449 PPAKGBVTWHPPRT-PDGQHHTCSA-N 431.510 4.471 10 20 IICD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 57512482 XZTCLXBSSKSLQZ-UWJYYQICSA-N 443.569 4.349 10 20 IICD Cc1cc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(C)n1-c1ccc(Cl)cc1 110914266 WAJYIOBZWHGELM-UHFFFAOYSA-N 433.899 4.284 10 20 IICD Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCOc2cc(N(C)C)ccc21 437013423 AAFMSCQPXFTAOG-UHFFFAOYSA-N 427.501 4.275 10 20 IICD CCNC(=O)N1CCc2ccc(NC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)cc21 460224058 ZVZYKXNFKOQMBD-UHFFFAOYSA-N 434.540 4.249 10 20 IICD Cc1ccc([C@@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)N(C)C)cc1 726709321 RCDOHEPQJIJTIK-JOCHJYFZSA-N 446.542 4.167 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c(C)c1 727243529 PMNNDWCVTMPVHQ-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc4cccnc34)c2C)cc1F 731477394 ZZLCXGUTLHLZKN-UHFFFAOYSA-N 432.503 4.039 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1 732477656 JNLLJQDUHRBEIR-CYBMUJFWSA-N 449.438 4.164 10 20 IICD C[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(N2CCOCC2)cc1 734272362 QMWWIKUOPFOYDW-GOSISDBHSA-N 433.556 4.050 10 20 IICD O=C(CC1CCCC1)NC1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 735519768 UQLZPKFERZIUNG-SDVLMSEASA-N 442.600 4.155 10 20 IICD O=C(Nc1ccc(OCC2CCOCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 737027960 ZTGUKEIGEWGYMC-QHCPKHFHSA-N 440.540 4.411 10 20 IICD CCCc1nc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742752175 ZJUSNDQZTLJBLQ-SFHVURJKSA-N 446.617 4.466 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1nc(C(C)(C)C)no1 745916806 CJAMPMCNRKJHKB-INIZCTEOSA-N 425.533 4.499 10 20 IICD Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 747304077 FXUSZAIBJBBCEN-WZONZLPQSA-N 433.556 4.316 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2c(F)cccc2F)CCCC1 749701426 HYPABRCGJBYGCZ-UHFFFAOYSA-N 429.511 4.113 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1nc(Cc2ccccc2)cs1 752909147 QEXCEPPPGRAQCH-UHFFFAOYSA-N 426.517 4.031 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)C[C@H](O)c3ccco3)CC2)cc1 752954084 CVLBCKUFRLIINL-DEOSSOPVSA-N 449.551 4.202 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4Cl)c3)CC2)cc1F 753891436 MBMPSXCJJRWUQD-UHFFFAOYSA-N 429.883 4.028 10 20 IICD CC(=O)N1CC[C@H](CN(C)CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1 755045964 QGFXDEGTEDBWAD-QGZVFWFLSA-N 436.383 4.384 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 755286254 WEROHKAJGCGLED-UHFFFAOYSA-N 426.561 4.484 10 20 IICD COc1cc(CN2CC[C@H](N[C@@H](C)c3ccc(Br)cc3O)C2)cc(OC)c1 756644174 DEXRXLCXRUIPNR-YOEHRIQHSA-N 435.362 4.097 10 20 IICD Cc1cc(S(N)(=O)=O)cc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C 757681817 FVYOCWBTWKXBOS-UHFFFAOYSA-N 445.972 4.193 10 20 IICD O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)N(Cc1ccco1)Cc1ccccc1O 757900961 QPJVGJGJMPXSDZ-UHFFFAOYSA-N 448.479 4.197 10 20 IICD COc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1Br 758161284 AWNXYZYNYZZACI-UHFFFAOYSA-N 427.103 4.271 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cn1c(CSC)nc2ccccc21 761751900 OGZKQEPGDWJVTI-UHFFFAOYSA-N 448.386 4.416 10 20 IICD C[C@@H](NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 765453739 SGUPXGPERGJVPW-HOYKHHGWSA-N 447.982 4.040 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2coc(C3CCC3)n2)NC(=O)OC(C)(C)C)cc1 767968986 KRGUXZBPRFAGJN-SFHVURJKSA-N 428.533 4.004 10 20 IICD O=C(N[C@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 769126499 NGEOODGPNPQZGP-ZWKOTPCHSA-N 437.531 4.438 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 769150877 TXUFZPYRJPVXPL-UHFFFAOYSA-N 433.277 4.106 10 20 IICD COc1cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(F)(F)F 773200504 OYEYNESUNMBKNO-AWEZNQCLSA-N 425.451 4.263 10 20 IICD CCN(CC)c1ccc(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 775493875 VYBNXMUJLPXBEH-IBGZPJMESA-N 437.403 4.304 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 779502640 VOKFVHHTXGMHNL-RVDMUPIBSA-N 446.503 4.225 10 20 IICD Cc1oc2c(CN3CCN(C(C)C)C(=O)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl 779882497 VXMUDEPOJALCHR-UHFFFAOYSA-N 440.927 4.180 10 20 IICD COc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 781162748 OPAYNXAXVCFNNO-SJLPKXTDSA-N 448.510 4.269 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2)no1 782897166 VHEAIPHXZQJZSX-UHFFFAOYSA-N 434.496 4.051 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1c(C)cccc1SC 785193466 FRPHHYBFNRWKNK-UHFFFAOYSA-N 437.359 4.172 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4c(Cl)cccc4Cl)CC3)cc2)CC1 786654941 AKGCQWBTRZDMCN-UHFFFAOYSA-N 446.378 4.010 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)cc2)CC1 787323254 VLBPAUYBWGDGHA-UHFFFAOYSA-N 445.350 4.073 10 20 IICD CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 787871041 HDKJLMANIDLOOH-SFHVURJKSA-N 436.508 4.179 10 20 IICD COc1nc(Br)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 789377533 NEKBJBHOIMXVTC-UHFFFAOYSA-N 432.274 4.386 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Cc4nnc5n4CCC5)cc3)c2C)cc1 791035844 BOVKYYGUYLNPGL-UHFFFAOYSA-N 441.535 4.484 10 20 IICD Cc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c(C)n1-c1cccc(Cl)c1 794301178 MZUZASXTFJGACE-UHFFFAOYSA-N 440.862 4.195 10 20 IICD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(OC)cc2O)cc1 794376703 APQBFPBKRLTBKW-UHFFFAOYSA-N 443.503 4.251 10 20 IICD C/C(=C\c1ccccc1OC(F)F)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 810133757 PNKURBFWUWWLHC-NXNYUAIASA-N 429.511 4.183 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 812064291 PRPAYNXZIPVKFA-PKTZIBPZSA-N 435.572 4.147 10 20 IICD Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822073429 FZOHGJBPZDKOCG-UHFFFAOYSA-N 426.428 4.272 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3nc(O)n(C)c3c2)cc1 857449681 MUHLVOGBTGUMCY-UHFFFAOYSA-N 430.508 4.201 10 20 IICD CCCc1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 916458252 HKYYUAHOVPYBBA-UHFFFAOYSA-N 427.492 4.189 10 20 IICD c1ccc([C@@H](CNCc2ccc(N3CCOCC3)cc2)N2CCc3sccc3C2)cc1 916834734 WUIQHKMJAMBCKM-RUZDIDTESA-N 433.621 4.474 10 20 IICD CC[C@H](C)[C@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 919998177 UKSDIOURTZMUKF-GYBNWTSNSA-N 441.416 4.201 10 20 IICD COc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 1318090048 MNOMIMYXFJTIBH-AWEZNQCLSA-N 434.334 4.177 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCC=CO2)C3)cc1 1800513234 CUYNNWNUPYZWAY-GNLZIIPMSA-N 433.552 4.039 10 20 IICD CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290694 FYRFHOCJGXFYHF-OAHLLOKOSA-N 434.924 4.216 10 20 IICD CCCS(=O)(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 97490439 VPFWJDOMVQNIFE-UHFFFAOYSA-N 445.629 4.152 10 20 IICD Cc1cn2c(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)c(C)c4)n3)c(C)nc2s1 426586560 DEPVVFFUVWAWGP-UHFFFAOYSA-N 435.534 4.254 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3Sc3nncn3C)ccc21 525284595 KJIAZCWVOYFVEV-UHFFFAOYSA-N 435.553 4.437 10 20 IICD C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567252 OBCISUOCRFMCFZ-CYBMUJFWSA-N 426.410 4.119 10 20 IICD CCC[C@@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 727229738 PVJGKBNODFLUFG-OAQYLSRUSA-N 442.629 4.099 10 20 IICD Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(F)c2)cc1 730175649 SEKRNCJSMCVODT-QFIPXVFZSA-N 445.538 4.433 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](c3cccc(F)c3)c3nccn3C)cc2)CC1 731049649 IGXNIMVVXLOKBW-HSZRJFAPSA-N 435.547 4.384 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCCN(c4cc(C)nc(C)n4)C3)ccc21 731295938 METZFLPSEIQMNQ-OAQYLSRUSA-N 436.556 4.137 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1OC 731845509 BWEVIJXTKFBUDH-GOSISDBHSA-N 426.557 4.422 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 733133039 GJINECBBOQHXCA-IAGOWNOFSA-N 441.547 4.354 10 20 IICD COCCN(C(C)=O)c1nc(COC(=O)c2cc(C)n(-c3ccccc3C)c2C)cs1 733813406 HTBXYKMHZWBIGN-UHFFFAOYSA-N 441.553 4.215 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cc(OC)ccc2O)cc1 734014785 AAOKRIPDVUUONC-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 735328881 GKXJWXSTDOTLJV-CAOOACKPSA-N 430.463 4.128 10 20 IICD O=C(Nc1cccc(Oc2ccccc2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 737110884 LZXCFCKSNRJNSX-QHCPKHFHSA-N 446.503 4.331 10 20 IICD C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1 738782295 UONMCQNDIACUMT-ZIAGYGMSSA-N 433.485 4.197 10 20 IICD C[C@@H]1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC[C@H]1NC(=O)OC(C)(C)C 740856830 LLHTXBZZRWHALU-OXQOHEQNSA-N 440.540 4.064 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(F)c(C(F)(F)F)c1 743310414 GZQBUPXXFRHHCX-UHFFFAOYSA-N 429.389 4.266 10 20 IICD C[C@@H](c1ccncc1)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 743722952 DKBIDMDTOJIHPR-ZSRMJVKVSA-N 431.608 4.344 10 20 IICD C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NCCC(N)=O)c2C1 744595082 XOCGOLPYTWMVSH-PJCCXHTNSA-N 442.563 4.029 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C4CCN(C(C)C)CC4)CC3)c2C)cc1 749461059 UHVRMBRMYNSSRP-UHFFFAOYSA-N 436.644 4.076 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 751386781 UZGWUJOMBTVMHE-NLFFAJNJSA-N 433.596 4.293 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@@H](O)CCc1ccccc1 753596110 RHRUYIYZWCKVRD-HNNXBMFYSA-N 429.152 4.001 10 20 IICD O=C1C[C@@H](N2CC[C@@H](C3CCOCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 754686258 IYCSDPGCAKOZNW-AUSIDOKSSA-N 432.524 4.482 10 20 IICD COc1cc(CN(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 754738540 GANZQFPGOOBBIQ-SFHVURJKSA-N 435.561 4.027 10 20 IICD C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(Br)cc(Br)c1O 756460724 SUUWJUWCILZTDI-BNGAFQBXSA-N 427.136 4.226 10 20 IICD CN(c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 762225319 JVDBHLSOWMUSEB-UHFFFAOYSA-N 426.536 4.363 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3cccc(Br)c3O)cc2)CC1 764781429 WNPIJGYGAXBONA-UHFFFAOYSA-N 432.362 4.390 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cn1 769665517 CTTLXVYBJHISSB-UHFFFAOYSA-N 444.321 4.099 10 20 IICD C[C@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1ccc(N(C)C)cc1 773017799 FUNUGWFTPRLCPT-LBPRGKRZSA-N 449.374 4.437 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(Br)cn1)c1ccc(N)cc1 773654037 IMFJFVAPMPLRHZ-CQSZACIVSA-N 439.313 4.159 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)cc1 773854042 AJZHXHFUAZLYPZ-IBGZPJMESA-N 431.536 4.456 10 20 IICD C[C@H]1CCc2c(sc3nc(CN[C@H](C)c4ccc(N5CCOCC5)cc4)nc(N)c23)C1 775254836 JWYRYXXFFPOQPK-JKSUJKDBSA-N 437.613 4.086 10 20 IICD COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 775372670 FYWNCXQTKYAGKJ-AWEZNQCLSA-N 425.510 4.004 10 20 IICD COc1ccccc1CN(CCO)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 783403073 RDTJVTODIQYAKE-UHFFFAOYSA-N 432.480 4.070 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)c1ccc(N)cc1 783483091 NAHBCQIHIAEKHR-QGZVFWFLSA-N 432.528 4.098 10 20 IICD COc1ccc(C(=O)CCCCCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 789199320 UHXPKYHWRNWOGM-UHFFFAOYSA-N 442.531 4.325 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(O)ccc1C(F)(F)F 793688665 GMLWHHOZNVXGDS-AWEZNQCLSA-N 428.838 4.164 10 20 IICD COc1cc(Br)cc(CNc2ccc(F)cc2OC2CCOCC2)c1O 796472203 VNXBUMNWFJCBPH-UHFFFAOYSA-N 426.282 4.472 10 20 IICD CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 799636697 VVHKABXMKYIZLT-UHFFFAOYSA-N 439.921 4.105 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(F)cc3F)cc2Cl)C1 800637135 UGFBWDOMRCDLKT-GFCCVEGCSA-N 439.865 4.249 10 20 IICD COc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccco3)Cc3ccccc3O)C2)cc1C 802360148 YGLXTRCXXONBNU-NRFANRHFSA-N 449.507 4.207 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)c1 805135230 QUBXGLVRDCSWGI-UHFFFAOYSA-N 445.202 4.105 10 20 IICD CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1c(C)noc1C 807952308 IHKNCDMGOSDULY-AUUYWEPGSA-N 446.979 4.065 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1S(N)(=O)=O 808804333 BFBZDYZCJDQHPZ-UHFFFAOYSA-N 439.497 4.080 10 20 IICD O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 819422233 VELNZTFFVNZBPG-HNNXBMFYSA-N 449.878 4.434 10 20 IICD Cc1ccc(NC(=O)c2nnc(COC(=O)c3cc(C)n(-c4ccccn4)c3C)s2)cc1 914907780 WABQSYUBHNGYQK-UHFFFAOYSA-N 447.520 4.258 10 20 IICD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 915220438 JQTQAGWFZREIJN-UHFFFAOYSA-N 441.437 4.429 10 20 IICD CCCC(=O)NC1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1 917110016 MHTHHUHLZLIGOI-UHFFFAOYSA-N 427.614 4.379 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1C 917924519 XOISCMYOUNLBLI-UHFFFAOYSA-N 433.511 4.453 10 20 IICD COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1OC(C)C 918138059 GKOXWNZVBOULJJ-IAGOWNOFSA-N 430.520 4.165 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(c2ccccc2)CCCCC1 918210112 RUQSBPPIBHUOBR-UHFFFAOYSA-N 439.575 4.488 10 20 IICD C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)o1 918220957 NOYJAZBVXKMYQB-IERDGZPVSA-N 441.547 4.377 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 918433760 GCVRNRPNTWZUKP-UHFFFAOYSA-N 436.487 4.114 10 20 IICD COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)cc1OC 919566217 OVMFBMYFTVOEDY-MRXNPFEDSA-N 442.537 4.035 10 20 IICD CCOc1ccc(N2CCN(Cc3nnc(-c4ccc(Br)s4)o3)CC2)cc1 1341377597 SYJZQUIKPIHAKY-UHFFFAOYSA-N 449.374 4.282 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 11437336 PKVRFLXAQVLDRJ-UHFFFAOYSA-N 447.535 4.372 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4c(c3)c(C)nn4C)c2C)c1 24197656 HXQYIKRHTZLJKO-UHFFFAOYSA-N 448.548 4.446 10 20 IICD COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(OC)c1OCc1ccccc1 437009428 HYGLZZCLBZXVQB-UHFFFAOYSA-N 448.519 4.388 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 437010862 SBLPAWXNOOLXAL-UHFFFAOYSA-N 449.511 4.240 10 20 IICD O=C1/C(=C/c2ccccc2OCc2ccncc2)SC(=S)N1CCc1ccccn1 726197282 PDXOKJMGEWOIBU-QNGOZBTKSA-N 433.558 4.500 10 20 IICD CC(C)(C)c1nc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 726686767 OICNPSZUHPTIBG-UHFFFAOYSA-N 448.500 4.012 10 20 IICD C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(=O)C1CCCCC1 727303329 RTIFTUSLHQYWJJ-IBGZPJMESA-N 425.573 4.350 10 20 IICD Cc1cc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2CCO)c(C)n1-c1ccccn1 727383372 FBYSVKQCJYJEGN-UHFFFAOYSA-N 435.915 4.251 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 730591244 VLPSATACACIRFN-SNVBAGLBSA-N 440.809 4.145 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc4cccnc34)cc2)CC1 731131755 QLTPZDKOXIJXJO-UHFFFAOYSA-N 436.943 4.379 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H]3CCCN(c4cc(C)nc(C)n4)C3)ccc21 731295937 METZFLPSEIQMNQ-NRFANRHFSA-N 436.556 4.137 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1 732478518 WAUZPUZFFCALOI-KRWDZBQOSA-N 434.492 4.104 10 20 IICD CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 732535979 OOTHMUZUPOBKEP-UHFFFAOYSA-N 444.528 4.121 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O 732813700 NIOPRMZXYSNVGK-SFHVURJKSA-N 433.434 4.136 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(CSc4ccccn4)c3)ccc21 737165253 CLQVJZDYNJYKPX-UHFFFAOYSA-N 446.576 4.011 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(C)n1-c1ccc(F)cc1 739768190 NJCMKDKASNMIGN-UHFFFAOYSA-N 434.515 4.187 10 20 IICD O=C(NCCCOc1ccccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743524900 CBOHYDCVRVDNCX-MRXNPFEDSA-N 437.462 4.164 10 20 IICD CCN(Cc1noc(Cc2ccc(Br)cc2)n1)c1ccc(OC)c(OC)c1 747682228 VXLQMGREQTURNU-UHFFFAOYSA-N 432.318 4.467 10 20 IICD Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCCCSc1nccs1 749731014 IQODXBNAVSRKMS-UHFFFAOYSA-N 427.551 4.481 10 20 IICD Cc1cnc([C@@H](N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)s1 754414120 RXEJGGPPXMNYCZ-SZNDQCEHSA-N 445.544 4.295 10 20 IICD Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 756055684 HBJZHPAALNHLSY-QFIPXVFZSA-N 449.624 4.272 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Br 757626662 CFWGCHUXOIASIC-UHFFFAOYSA-N 432.362 4.020 10 20 IICD COc1cc(N2CCN(C(=O)c3cc(SC)ccc3Cl)CC2)cc(OC)c1OC 759221489 ABOUBLOYVVCXHO-UHFFFAOYSA-N 436.961 4.050 10 20 IICD CCc1ccc(-c2noc([C@H](C)NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)n2)cc1 760892081 INMFKYMFFSORKZ-KRWDZBQOSA-N 449.555 4.337 10 20 IICD CN(c1ccc(CNC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1)C1CCCCC1 762556341 AOXWHWGHQNEYIY-UHFFFAOYSA-N 430.593 4.122 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 764701147 NSYWAQWUFSCEJN-CJFMBICVSA-N 444.019 4.209 10 20 IICD Fc1cc(CN[C@H]2CSCCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1 765276702 NEXHPYJAGFZOIP-QHCPKHFHSA-N 449.599 4.063 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 765677048 DNOSCWONFFTGIH-AHWVRZQESA-N 432.612 4.483 10 20 IICD Cc1onc(-c2ccncc2)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 765683119 DRPSOKLUXKGXEA-INIZCTEOSA-N 428.439 4.045 10 20 IICD CCCCCOc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 765979588 MBRBIHOSJNPUET-FQEVSTJZSA-N 430.614 4.341 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(CN2CCCCC2=O)cc1 769292162 RYEHDYUOKOQRNY-UHFFFAOYSA-N 445.357 4.330 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCc3cccc(C(F)(F)F)c3)cc2)C1 769893576 MGMDBBUMSLHPKX-IBGZPJMESA-N 447.501 4.046 10 20 IICD C[C@@H](NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)c(F)cc1O 774397391 RYIGJIFSNZOGCN-KOLCDFICSA-N 436.243 4.213 10 20 IICD C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C 775236949 XRVVPLOSUNEOML-HKUYNNGSSA-N 443.544 4.485 10 20 IICD CCOC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(OC)c(F)c1 779185311 CXVAZBSFHPWCIP-QFIPXVFZSA-N 445.491 4.127 10 20 IICD Cc1nnc([C@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 782676875 NHMUZMKTWKYQTM-YWEFTTLKSA-N 439.609 4.194 10 20 IICD COc1cccc(C[C@H](O)C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 785718029 RUTJVMGWEDHRHG-QFIPXVFZSA-N 433.464 4.196 10 20 IICD CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 790409405 QKQZZTDSKQTITM-MRXNPFEDSA-N 441.933 4.193 10 20 IICD CN(c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1)C1CCCCC1 793458591 YZXMEZGYYWRHLY-QFIPXVFZSA-N 426.582 4.033 10 20 IICD C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N2CCCCC2)c(F)c1 794830265 VEYFEWFHMOAMKU-JLTOFOAXSA-N 434.353 4.456 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(F)cc2F)nc1-c1ccc2c(c1)CCC(=O)N2 799186585 BCDHGDJXRLAHHO-UHFFFAOYSA-N 435.477 4.082 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3n[nH]cc3Br)cc2Cl)C1 799932624 TYIWUMWLXMTQCR-LBPRGKRZSA-N 440.773 4.061 10 20 IICD CCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 799994745 PWRFJUBFJJNTJV-KRWDZBQOSA-N 435.012 4.024 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(C)n1-c1ccccn1 801510614 ADSHCYNABSQDSM-LJQANCHMSA-N 426.561 4.255 10 20 IICD COc1cc(OC)cc(Oc2ccc(CNC(=O)NCc3cc(OC)ccc3O)cc2)c1 806810132 GXQYETXPMWNIEM-UHFFFAOYSA-N 438.480 4.210 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 808836214 HAVBBEJYHYMZEY-UHFFFAOYSA-N 449.532 4.317 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H](c4ccccc4)OC3=O)cc2Cl)C1 809802632 CZHOLYRLFSOPBE-PERKRYKHSA-N 426.944 4.497 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2C[C@H]1C 831920529 MKJLKWYTGKPGQX-LLVKDONJSA-N 449.504 4.187 10 20 IICD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 916673525 VPBUZKDTYGMWOR-UHFFFAOYSA-N 439.537 4.271 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 918059676 GLSOXFUGWCKRPD-UHFFFAOYSA-N 431.584 4.488 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccnc(Oc4ccccc4)c3)CC2)cc1 918067615 PYGYEQPIKGURDF-UHFFFAOYSA-N 432.524 4.304 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 918080705 GCQCOQIFBIYFSL-IHPCNDPISA-N 429.580 4.287 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccccc2-n2ccnc2)cc1 919922094 NCXRQQJJVXUZDC-UHFFFAOYSA-N 429.524 4.443 10 20 IICD Cc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3sccc3-n3c(C)ccc3C)o2)cc1 1118070324 HPQNCCMXRLDATH-UHFFFAOYSA-N 442.566 4.335 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3nc(C(C)(C)C)cs3)cc2F)CC1 1251686171 CMFQEMRSVBOJPO-INIZCTEOSA-N 447.624 4.282 10 20 IICD CN1CCN(c2ccc(/C=C(\Cl)c3nc(=O)c4cc(Cl)ccc4[nH]3)cc2F)CC1 1317891170 OBAVDRDHAXSENO-YBEGLDIGSA-N 433.314 4.204 10 20 IICD FC(F)(F)COc1cccc(CNC(=S)Nc2cccc(OC(F)(F)F)c2)n1 1326579681 MJGYRBSJXOAWEV-UHFFFAOYSA-N 425.354 4.408 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)SC1=S 23390299 BYIBAFAGNVRKLZ-XNTDXEJSSA-N 434.520 4.389 10 20 IICD COc1ccccc1-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1 28848694 JQXDTELDFFIJOO-UHFFFAOYSA-N 439.518 4.391 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccc(C)cc3Br)CC2)cc1 97476987 CENFPGYWVJCQNH-KRWDZBQOSA-N 446.389 4.305 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1C 109792415 ZRESDNCTGQUVHK-UHFFFAOYSA-N 430.552 4.357 10 20 IICD CC1CCN(C(=O)C2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)CC1 303348826 DQBGINAKGRZINT-UHFFFAOYSA-N 440.632 4.103 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CN4CCC(C)CC4)C3)ccc21 486048664 ZIZWGYUBTQKHGU-JOCHJYFZSA-N 425.617 4.489 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](Oc4ncccc4F)C3)ccc21 486596814 XDBSONDAXCEWGY-IBGZPJMESA-N 425.504 4.122 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(-c2ccc(F)c(Cl)c2)nn1 541160675 BQIZJEZSSIVALF-GHXNOFRVSA-N 427.892 4.392 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 726562179 DIXPAIYORXLIJO-UHFFFAOYSA-N 449.551 4.207 10 20 IICD Cc1nn(C)c2nc(Cl)c(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12 726608396 ZNCGHRHOGZXXSH-UHFFFAOYSA-N 435.906 4.290 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726613222 OXDIMBCVKZHPFP-GOSISDBHSA-N 438.572 4.148 10 20 IICD CCN1CCN(c2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2F)CC1 730157683 WFNSFYQSJKECKX-UHFFFAOYSA-N 440.510 4.473 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1F 731346380 VCJARBGXZDMQDN-UHFFFAOYSA-N 445.535 4.326 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccn3)cc2)C2CC2)cc1 733855097 DUIGZMDVKYJJRL-UHFFFAOYSA-N 430.508 4.070 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 734070175 CYHBKAHWKKLYQX-OAQYLSRUSA-N 436.508 4.201 10 20 IICD Cc1ncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c(C(C)C)n1 734201472 HJEHVUCDRBQQBS-UHFFFAOYSA-N 449.507 4.127 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3N(C)C)cc2F)C[C@@H](C)O1 737009561 TUTHLASZKUJKPV-HUUCEWRRSA-N 434.943 4.480 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 737115996 ASAFEIDVNWNBDJ-UHFFFAOYSA-N 448.592 4.427 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3ccccc3SCC=C(C)C)CC2)cc1 741213076 XQHXRBVOPCPSDL-UHFFFAOYSA-N 439.625 4.306 10 20 IICD CN(c1ccc(CNC(=O)CCC(=O)N2CCc3sccc3C2)cc1)C1CCCCC1 742416444 YXSMONOFVCVGCC-UHFFFAOYSA-N 439.625 4.498 10 20 IICD Cc1cc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c(C)n1-c1ccccn1 742876269 SJQDDRNSTNIWGE-HNNXBMFYSA-N 428.330 4.449 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(CC(F)(F)F)cc1 743189669 NPAAMNWQFSPTQY-UHFFFAOYSA-N 425.426 4.213 10 20 IICD O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1Cc1cccs1 743283310 ZGICRLQVVKMLHL-LHHJGKSTSA-N 427.475 4.480 10 20 IICD CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)NCc2cccc(OC)c2O)cc1 745831731 UMOHHTJTNQVECW-SFTDATJTSA-N 428.529 4.379 10 20 IICD COc1ccccc1[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 745902879 ADTDSVXSYRYDCC-ROUUACIJSA-N 445.510 4.465 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnc(-c2ccccc2Cl)s1 747870626 CQIJIJMQFBYULT-UHFFFAOYSA-N 445.947 4.494 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1 748968405 WAPHNIQMBPFRDG-UHFFFAOYSA-N 428.543 4.339 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)sc2C)cc1 751127329 ZRDATSILGPGPRT-UHFFFAOYSA-N 441.534 4.160 10 20 IICD Cc1noc(C)c1[C@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 752294631 ZSHYQHYRJKPFDM-YUSFRKCESA-N 449.623 4.254 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1 753816547 YEEMOZHHVZOZHX-UHFFFAOYSA-N 447.583 4.439 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(OCC(F)(F)F)c3C)CC2)cc1F 753886778 ZNGWHXJMJOYMAQ-UHFFFAOYSA-N 441.425 4.438 10 20 IICD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 754453777 MTYNTOWJRWZDCB-GASCZTMLSA-N 430.480 4.286 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(CCc2ccco2)no1 762330962 GKIOCLPTBQLWIH-NTCAYCPXSA-N 431.564 4.343 10 20 IICD C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 762511457 SKPIFLDTWRPYKL-HZPDHXFCSA-N 427.595 4.491 10 20 IICD O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 766294007 GSXDXLDDWKLLEV-QPPBQGQZSA-N 435.499 4.407 10 20 IICD CCOc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)nc2nc(C(F)(F)F)nn12 766838173 KOXVGKFZZCEYCK-UHFFFAOYSA-N 448.493 4.164 10 20 IICD COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)OC(C)C 770358075 JGCLOMYZKLJKAY-NTKDMRAZSA-N 441.572 4.058 10 20 IICD COCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCCC1 773721850 UUUHJSSEWWWEBC-RTBURBONSA-N 435.584 4.226 10 20 IICD CC[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1O 775488131 HTVISTXNGAKJDX-GUYCJALGSA-N 439.339 4.064 10 20 IICD CC[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1O 775488132 HTVISTXNGAKJDX-SUMWQHHRSA-N 439.339 4.064 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 776515496 TVBHCAITYFLVQO-NQIIRXRSSA-N 428.577 4.040 10 20 IICD CC(C)OCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 782423579 BQACTGWPYVKAQV-UHFFFAOYSA-N 449.551 4.438 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782779321 BZSWNSZRDNTSFW-UHFFFAOYSA-N 432.590 4.347 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(CCc1ccccc1)Cc1ccccc1 788913205 VKDXUQZVQJWVPZ-UHFFFAOYSA-N 441.575 4.175 10 20 IICD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800635911 AZLHPQVKFLVWMU-AWEZNQCLSA-N 444.919 4.048 10 20 IICD O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809196455 UDBWDFJGGDCPRB-RXVVDRJESA-N 436.483 4.106 10 20 IICD COc1cccc(-c2noc(SCC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)c1 813682358 AFTLAEZKGWXZBH-UHFFFAOYSA-N 440.308 4.166 10 20 IICD Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])cc1C(F)(F)F 814827920 GMGUTBPENSBGMJ-HNNXBMFYSA-N 436.434 4.236 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc(F)cc3F)no2)c1)c1cccs1 815701861 FAMYJRZWNCGQSR-UHFFFAOYSA-N 435.433 4.250 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)Cc2ccccc2)cc1 822213372 IIMJPOAAEVNOFQ-UHFFFAOYSA-N 445.563 4.043 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccc(OC(F)F)cc1 824022176 QGFFHKIDJNFWEC-LZYBPNLTSA-N 448.451 4.414 10 20 IICD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1Cl 915186236 ZSKFXFTUYHAUPR-UHFFFAOYSA-N 448.953 4.084 10 20 IICD COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)N(C)C)c1 915726080 XDMGLGNDNZACNK-HSZRJFAPSA-N 445.523 4.468 10 20 IICD O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(N=Nc2ccccc2)cc1 917315876 MQAAWLRJAXFELP-NRFANRHFSA-N 444.447 4.374 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918028070 RLYUTOMCEUXLID-GOSISDBHSA-N 442.991 4.488 10 20 IICD Cc1nccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 919467016 NKKBLLAVPISNFZ-AWEZNQCLSA-N 429.423 4.222 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1nn(-c2ccccc2F)cc1Br 1317903570 ACFKOOBAQYTVRC-UHFFFAOYSA-N 443.320 4.304 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)cc2F)CC1 1317946790 UCXXOUXCLUNSDN-UYRXBGFRSA-N 431.533 4.122 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1 1323886784 MVWFJEZCAZHCPT-UHFFFAOYSA-N 430.957 4.222 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3F)C2=O)cc1 1324321815 CNBFAEVNYIRGMF-OKHBPPCESA-N 435.473 4.311 10 20 IICD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1cccc(F)c1 10732259 IVZREGFMJSUOSW-UHFFFAOYSA-N 437.810 4.050 10 20 IICD O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)N[C@@H]1CCOc2ccccc21 96982670 OWIYWYGWKUOFGR-HXUWFJFHSA-N 436.533 4.166 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c2cnn(Cc3cccs3)c2n1 106158192 OIVHCJORMJNIKA-UHFFFAOYSA-N 431.565 4.380 10 20 IICD COCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)oc2ccccc12 108283241 MECXRMKUGARPMQ-HOTGVXAUSA-N 426.488 4.262 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)cc1 110352669 SIMBVKLZICWSNS-UHFFFAOYSA-N 433.508 4.248 10 20 IICD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccc(N(C)C)cc1 302051030 CZORZXYANAAUFG-OJNXCIKNSA-N 425.617 4.068 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)n2)cc1C 472805404 GAFXSBZUZAURKS-UHFFFAOYSA-N 432.549 4.482 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)ccc21 486940328 HLHGTBVLJMPCBH-UHFFFAOYSA-N 448.567 4.462 10 20 IICD COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1cc(F)ccc1F 726946877 GDHCOCPOMZVYTP-NRFANRHFSA-N 428.435 4.025 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(Cc2ccc(F)cc2)s1 727101588 WWORGHFKWWVRLZ-UHFFFAOYSA-N 427.570 4.356 10 20 IICD CCc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(O)c(C(C)(C)C)c1 728195259 GSWWZFPGCHTUEP-UHFFFAOYSA-N 431.558 4.180 10 20 IICD CC(=O)N(CCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)Cc1ccccc1 728837754 YZMAJTFTFUFCSQ-UHFFFAOYSA-N 435.490 4.082 10 20 IICD Cc1ccccc1OCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 729496719 LWZZMSBOHKKJGX-RTBURBONSA-N 429.536 4.016 10 20 IICD Cc1cc(Br)c(NC(=O)CN(C)Cc2ccccc2O)c(Br)c1 731843490 KKJLXJWJDBHZPC-UHFFFAOYSA-N 442.151 4.296 10 20 IICD CC(=O)N(c1nc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cs1)C1CC1 734307183 WVWHNPVKGJSHTL-LICLKQGHSA-N 444.607 4.130 10 20 IICD CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 741964090 GUOICWKYTZMPES-QGZVFWFLSA-N 442.471 4.464 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(-n4nnnc4C4CC4)c3)cc2)CC1 743213134 OYBIHGYDDLJQLB-UHFFFAOYSA-N 449.534 4.237 10 20 IICD CO[C@]1(C)C[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1(C)C 744720954 OBPQBBAMGOLCSQ-BIHQRZRHSA-N 438.640 4.049 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc(F)c(Cl)c1 745626994 OWIBCJJMGUHDMM-AWEZNQCLSA-N 429.879 4.141 10 20 IICD Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c[nH]1 748459587 NYWDGJUOMVKEKC-HNNXBMFYSA-N 444.434 4.120 10 20 IICD CCS[C@@H]1CCC[C@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751071074 SPBBZZOOIVLBHD-DZGCQCFKSA-N 440.612 4.049 10 20 IICD CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 751716764 LKEAROBGEAILCT-GOSISDBHSA-N 433.593 4.032 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3cc(Cl)c4c(c3)OCCCO4)cs2)cc1 751932413 ZPSOJGQEKNRMQE-UHFFFAOYSA-N 430.913 4.488 10 20 IICD CC(=O)c1cc(CN2CC=C(c3ccc(Cl)cc3)CC2)c(O)c(CN2CCOCC2)c1 751960302 XFZBEQYHMGOOTM-UHFFFAOYSA-N 440.971 4.370 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 752087234 DRZZLCYGWJHNQI-UHFFFAOYSA-N 440.927 4.339 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(O[C@H](C)c4ccccc4)nc3)CC2)cc1F 753741098 CEUHKUXZGFKFLK-GOSISDBHSA-N 435.499 4.332 10 20 IICD Cc1ccc(-c2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cs2)n1C 758900368 CAFVTPWJJDOLRN-FQEVSTJZSA-N 438.597 4.344 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Br)cc1Cl 761160822 INXZHCWSVXKYQT-UHFFFAOYSA-N 444.112 4.426 10 20 IICD O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 761563517 HFMVOPTUCJIWLB-LJQANCHMSA-N 445.441 4.418 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)sc2C)cc1 764951947 UXNZYXYCAHYEMP-UHFFFAOYSA-N 439.562 4.063 10 20 IICD CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769903402 GCONDKYWJKSDOT-GOSISDBHSA-N 445.566 4.263 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3c(C)ccc4cccnc34)n2)c1 778078476 GYXWYLIAVLJRLN-UHFFFAOYSA-N 441.534 4.485 10 20 IICD COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 779604690 MHIPLFYHLNAKCS-GFCCVEGCSA-N 449.183 4.328 10 20 IICD COc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782423944 RCWZZCRDEJFHLT-UHFFFAOYSA-N 441.915 4.175 10 20 IICD Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 785293186 CXVMJNYVJMCMHQ-ROUUACIJSA-N 448.519 4.232 10 20 IICD Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 787915496 SNVCVPPOOGEFAF-UHFFFAOYSA-N 430.418 4.421 10 20 IICD O=C(c1ccc(F)cc1)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 788876405 WWVCKLNJKYGVMQ-UHFFFAOYSA-N 441.572 4.183 10 20 IICD Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 792410305 UUXXLLNGMOMVIC-UHFFFAOYSA-N 425.356 4.057 10 20 IICD Cc1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)ccc1C(=O)O 795289474 HKZXTMLDVNKJLJ-UHFFFAOYSA-N 440.502 4.476 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797706799 FYMHULYQYORSKP-UHFFFAOYSA-N 430.545 4.072 10 20 IICD C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Br)cc(Br)c1O 800501006 WKAYFGVYEAMDDS-VIFPVBQESA-N 432.160 4.115 10 20 IICD CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800636849 PHKUENAKRFUZRY-HNNXBMFYSA-N 427.932 4.034 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 806846463 PJUKRYCADLRHQV-UHFFFAOYSA-N 432.496 4.287 10 20 IICD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(OCc3ccccc3)cc2O)s1 809720726 GOHLLSAWBVZZQC-JKSUJKDBSA-N 440.569 4.138 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 811923094 SFXNWXRMBQUHMW-UHFFFAOYSA-N 447.461 4.249 10 20 IICD CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N[C@]2(C)CCOC2=O)cc1 813296724 XYLYRXQWFCVHPW-DRTHVRHMSA-N 441.531 4.223 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1c1cccnc1 813584595 DPHNISYBGRYDDO-HXUWFJFHSA-N 448.489 4.230 10 20 IICD Cc1cc(NC(=O)CN2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)no1 915304006 OUJIRALXIONIQQ-UHFFFAOYSA-N 447.499 4.187 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(Br)c1 918294737 UHKUQQWIAXYLAE-UHFFFAOYSA-N 443.297 4.224 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 918309203 HIUJLALIAUKQKM-UHFFFAOYSA-N 444.526 4.008 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1 1326432303 OQTNDNGRHXHHGH-KRWDZBQOSA-N 430.508 4.302 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccc(C2CC2)cc1 1790782882 QZRAJIZDKRHOJO-UHFFFAOYSA-N 443.503 4.432 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cscn2)C3)cc1 1800513154 AGXBPZGRCIYGTA-NUZGMZIFSA-N 434.565 4.116 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccnc(Cl)c2)C3)cc1 1845398233 NHEHFKNKDOOOQE-UHFFFAOYSA-N 448.954 4.273 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)c2C)c1 58104395 HILKLLMRLLNAPH-UHFFFAOYSA-N 448.504 4.317 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 725868763 YLTLLXFFBXCVMV-APWZRJJASA-N 437.437 4.036 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1n[nH]c2ccc(F)cc12 728284658 YOGBSXUDWHMXRN-XNTDXEJSSA-N 446.554 4.384 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)cc1F 731404159 HVIIBNJVFBLEGZ-JOCHJYFZSA-N 441.595 4.263 10 20 IICD COc1ccc(-c2nc(CC(=O)NCc3ccc(N(C)C)cc3C)cs2)cc1OC 734405135 DPHYORNVEICWDM-UHFFFAOYSA-N 425.554 4.061 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 741090240 FIQAYKQCMBGSRM-VWLOTQADSA-N 440.547 4.112 10 20 IICD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 742483829 YMWJBPIAXBHQCK-QHCPKHFHSA-N 439.625 4.153 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cn2ccc3ccccc32)NC(=O)OC(C)(C)C)cc1 742754550 PTKQCRGNTZLHTL-OAQYLSRUSA-N 436.556 4.090 10 20 IICD CC(C)(C)c1noc(CCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 742805552 LJUGKSOVGQOUAB-HNNXBMFYSA-N 436.503 4.076 10 20 IICD CCO[C@H](C)c1noc(CN(C)CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)n1 744410791 CIQRSIDSBXXTQN-QGZVFWFLSA-N 428.508 4.337 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)CC2)cc1 746035284 NYBHYXSUQIIMOW-UHFFFAOYSA-N 439.556 4.324 10 20 IICD COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1 746125651 CLOPWYUQSQDNAZ-KRWDZBQOSA-N 435.490 4.056 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 747415362 LPCZCBZTEHYFFW-UHFFFAOYSA-N 426.866 4.498 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]3C)ccc21 752314510 BBYKJMQSZLGOMI-VQIMIIECSA-N 443.588 4.280 10 20 IICD O=C(Cc1nc(-c2ccc(F)cc2)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 753836758 AYBXZVPPSXFRDU-IBGZPJMESA-N 426.513 4.405 10 20 IICD C[C@H](Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F)c1cc([N+](=O)[O-])ccc1O 756858421 PHGHJZNIERSJMH-GJZGRUSLSA-N 430.480 4.426 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Br)c(F)cc1F 757855189 TXAQGYZQPZCKEN-UHFFFAOYSA-N 427.314 4.211 10 20 IICD CCOc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)OC)cc3)SC2=S)c1 758416937 UEOQYCPMIHIRML-ONDHQXCVSA-N 443.546 4.431 10 20 IICD Cc1ccc(C(C)(C)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 759306755 LHEISRJJFCLJRF-ATVHPVEESA-N 445.635 4.484 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCc2c(Br)cccc21 761232048 OUQGFRLLMQJLGT-INIZCTEOSA-N 435.705 4.260 10 20 IICD CCCNc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 765466264 NPZDPXRNZLMPOB-QZTJIDSGSA-N 428.552 4.261 10 20 IICD COc1ccc(OCc2ccccn2)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 768208080 MWUUUBUENMCQOW-UHFFFAOYSA-N 433.552 4.138 10 20 IICD COc1cc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(O)cc1C 768449105 DXRKVDCLMRBBKS-UHFFFAOYSA-N 426.538 4.142 10 20 IICD Cc1cc(Br)cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O 775647428 VHRWSMUGABJLCY-UHFFFAOYSA-N 447.329 4.043 10 20 IICD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 776405402 OCPSHGFEKABXQN-KRWDZBQOSA-N 427.504 4.353 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)c2C)c1 777838161 SKTJNKYIBQFNPS-QHCPKHFHSA-N 431.536 4.252 10 20 IICD C[C@H](NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 778627046 OVJQFZRBMAQEOI-LAUBAEHRSA-N 435.490 4.447 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3ccc(Br)cc3OC)CC2)cc1 782247386 SEIXBVAUFNIMPH-UHFFFAOYSA-N 447.373 4.138 10 20 IICD CCOc1ccc(OC)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895745 FNDFDBOTTJXSCT-UHFFFAOYSA-N 426.513 4.100 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC[C@H](OC)CC2)sc(C)c1-c1ccccc1 783018038 GCNBFYFVFMDQJX-SFHVURJKSA-N 430.570 4.340 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4c(Br)cccc43)cc2)C1 783502880 BBZDUWGOJMCFNN-HTAPYJJXSA-N 442.401 4.318 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 786874341 NNGRXLCCRCJJGI-UHFFFAOYSA-N 440.493 4.223 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)N(C)c2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1 795248382 BEKIDFMUROUVFO-HXUWFJFHSA-N 430.524 4.304 10 20 IICD C[C@H]1CCCN(c2ccc(CNc3cnn(C)c(=O)c3Br)cc2Cl)C1 799962931 GCZSDGRZCASDRT-LBPRGKRZSA-N 425.758 4.045 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 801913936 PRYPFLSXMBFTEU-OAQYLSRUSA-N 448.615 4.361 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)CC2)cc1 804317448 DAQPSEPPQMFKAC-UHFFFAOYSA-N 449.595 4.095 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 806420599 PEDUUCXHXRZZFM-UHFFFAOYSA-N 436.295 4.060 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)cc1 914439194 GMOUYMDWMFJHEO-UHFFFAOYSA-N 449.576 4.358 10 20 IICD CCOc1cc2c(cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)O[C@H](C)C2 915933830 PMNDZUBULBORBZ-UTKZUKDTSA-N 440.540 4.005 10 20 IICD Cc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 918065837 CWEDELHPNVULJH-UHFFFAOYSA-N 425.916 4.467 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCN(CC2CCCCC2)CC1 918070440 FPLCHZHFFJAKMA-UHFFFAOYSA-N 430.662 4.037 10 20 IICD C[C@@H](NC(=O)NCc1cccc(COCc2ccco2)c1)c1ccc(N2CCOCC2)cc1 920872956 ZVBQKSFMWUEUBF-HXUWFJFHSA-N 449.551 4.393 10 20 IICD CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 23199765 RNURRQGLXRQORG-MRXNPFEDSA-N 437.471 4.376 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 38398268 ICWOEXSNKXZMQZ-HSZRJFAPSA-N 425.623 4.482 10 20 IICD CC(C)(C)OC(=O)N1CCC(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 236742929 ONHOEKRYBZLHKU-KRWDZBQOSA-N 425.520 4.246 10 20 IICD CCOc1ccc(O)c(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1 237088135 OLSJDQFWGNTWJN-QHCPKHFHSA-N 447.503 4.352 10 20 IICD CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 409574197 HHBSCKFIIWEIKA-UHFFFAOYSA-N 431.583 4.248 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)Cc3ccc(F)cc3)ccc21 486108565 UPFMJTDZAKOTTK-UHFFFAOYSA-N 425.548 4.248 10 20 IICD Cc1cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)ccc1NC(=O)C1=S=CC=C1 545071059 YUJWVTCDXTUEMQ-UHFFFAOYSA-N 434.477 4.069 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 728837086 NCEQUJGRVFOMCG-UHFFFAOYSA-N 447.501 4.470 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 731017156 YVSFWWZLRIOSQX-UHFFFAOYSA-N 427.976 4.403 10 20 IICD CCN(CC)C(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 734850073 UQCXPAKUXFGVRO-JOCHJYFZSA-N 431.527 4.456 10 20 IICD COc1cccc(CN(C(=O)NCc2ccc3c(c2)CCCN3C)C2CCC(O)CC2)c1 737038096 QCLYAKCFNFUQER-UHFFFAOYSA-N 437.584 4.093 10 20 IICD CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 741057023 RTDYAUHHLKISGO-UHFFFAOYSA-N 439.991 4.180 10 20 IICD FC(F)Oc1ccc(N2CCC(NCc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 742369776 SDHZNHIVDDLRRB-UHFFFAOYSA-N 442.409 4.377 10 20 IICD CN(c1ccc(CNC(=O)COc2ccc(N3CCCC3=O)cc2)cc1)C1CCCCC1 742417531 ZUCRNDLITLEUAA-UHFFFAOYSA-N 435.568 4.278 10 20 IICD C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801275 OTNVMOCISZYBLD-ZIAGYGMSSA-N 426.410 4.119 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 743103550 CKFNKKSMTJDNBD-UHFFFAOYSA-N 433.574 4.174 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Br)c(F)c1 743210423 MUHLKNWHLUJVAI-UHFFFAOYSA-N 436.325 4.119 10 20 IICD O=C(NC[C@@H](c1ccccc1)N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 745512105 HLKICZXRCQEOMC-DEOSSOPVSA-N 437.584 4.310 10 20 IICD COc1cc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CCC2)ccc1C 749498391 CRDYZHZDHJDEGP-KDURUIRLSA-N 440.559 4.494 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1csc([C@H](C)OC)n1 753057247 QCNBXEOIVKPKBJ-NSHDSACASA-N 428.352 4.050 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1 753929204 CKMIKQANYSNSQS-UHFFFAOYSA-N 436.581 4.329 10 20 IICD C[C@@H](NC[C@H](c1ccco1)N(C)C)c1cc(Br)cc(Br)c1O 756352656 VUZWCUZCJYXQSM-QMTHXVAHSA-N 432.156 4.464 10 20 IICD COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756382858 FHEMRDGFDWEMOF-HWPZZCPQSA-N 430.726 4.210 10 20 IICD CCOC(=O)c1c(NC(=O)c2cc3n(n2)CCCO3)sc(C)c1-c1ccc(C)cc1 762964090 XJLPCIBOTNJESU-UHFFFAOYSA-N 425.510 4.440 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(N2CCOCC2)c1 765078658 UQRBOXPLFWLABW-GOSISDBHSA-N 449.517 4.229 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)NCc1cccc(Br)c1O 765315762 QFIUIYHGZORIBJ-UHFFFAOYSA-N 433.331 4.384 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 765972615 BMGYNPJIEYVKER-NRFANRHFSA-N 427.520 4.106 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 779069411 RTAYWVGFCZPJTM-HNNXBMFYSA-N 426.513 4.147 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2)CC1 780425936 AZPYBLAMDMYASF-NQIIRXRSSA-N 427.511 4.206 10 20 IICD Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(Br)n1 784062664 QPKPHQPYIXPKPC-UHFFFAOYSA-N 431.334 4.039 10 20 IICD Cc1csc(C(=O)NCc2c(O)ccc3c2CCCC3)c1I 787132192 HMATXQMHUPEAIL-UHFFFAOYSA-N 427.307 4.176 10 20 IICD COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(I)c1 791237895 XDVFVZIHZOUERN-UHFFFAOYSA-N 447.276 4.355 10 20 IICD Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 793207715 IRUVNQVCGKFJBY-LBPRGKRZSA-N 427.542 4.023 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(N4CCOC4=O)c3)cc2)CC1 797663412 YXIUGYVTRKHFEO-UHFFFAOYSA-N 426.492 4.340 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 801174522 QAMCUNMSBPYYTG-LJQANCHMSA-N 442.922 4.073 10 20 IICD CC(C)c1nnc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cn12 801744836 KTXGFFYIDNHKFX-UHFFFAOYSA-N 444.486 4.245 10 20 IICD Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802754231 MPVAUYYYYICVQF-KRWDZBQOSA-N 433.478 4.388 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 807100116 KDMMTOSMSKLKRK-OAHLLOKOSA-N 435.490 4.006 10 20 IICD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NCc1cc(Cl)cc(Cl)c1O 807838160 LSMKFZURYJSAIF-UHFFFAOYSA-N 438.336 4.147 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(OC)cc(OC)c3)SC2=S)cc1 814274581 SRCFMPJKTUEWRM-WOJGMQOQSA-N 429.519 4.286 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1O 815567855 NZQCSKAMQQQSNS-CQSZACIVSA-N 428.476 4.046 10 20 IICD Cc1ccc(OCCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916456257 AFLNFXVGWSZBOO-UHFFFAOYSA-N 436.474 4.326 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 917310272 QCCWYXHSNBNUBW-UHFFFAOYSA-N 426.582 4.453 10 20 IICD COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1N1CCCCC1=O 918035460 VKVNJXCFEMCPFM-UHFFFAOYSA-N 436.556 4.475 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1c1ccc(Br)cc1 919790601 MQVWDFJACUNXQO-NRFANRHFSA-N 444.373 4.332 10 20 IICD Cc1cc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c(C)n1-c1ccc(C(C)C)cc1 919936000 GOEIFFGPMXXALN-UHFFFAOYSA-N 436.644 4.317 10 20 IICD Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)CC2)cs1 919979215 MVXLZGQETMGSFM-UHFFFAOYSA-N 428.989 4.470 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccccc2)c1OC 1116634959 XUILXBFYMHVZJD-UHFFFAOYSA-N 430.302 4.011 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1818959668 ZRZLRKOFOFLDLS-HACGYAERSA-N 446.935 4.216 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 11705831 LJCQZVDLSUTWKA-UHFFFAOYSA-N 435.528 4.473 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cc(Br)ccc1F 116371250 OMBRMDIEVFVDCI-UHFFFAOYSA-N 427.339 4.057 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(=O)N4CCCC4)ccc3OC)ccc21 483577064 KSWJMFFINYEDOE-UHFFFAOYSA-N 449.551 4.401 10 20 IICD CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2cc(F)ccc21 608557309 VSKAQPULMQUBDF-UHFFFAOYSA-N 427.483 4.229 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726271511 UWWMQNUWYWHXKZ-UYAOXDASSA-N 444.620 4.462 10 20 IICD Cc1cccc(OC[C@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726613815 RPXVTIVYPQJPJZ-KRWDZBQOSA-N 433.499 4.332 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3CN3CCSCC3)CC2)cc1 726699562 PFJXPFMQDCGFBK-UHFFFAOYSA-N 440.613 4.035 10 20 IICD CC(C)(C)CCN1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726719020 MKYSLJWCBNEFHG-UHFFFAOYSA-N 438.563 4.020 10 20 IICD CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c1OC(F)F 726986043 KFHGKRGXJVXYQG-NTEUORMPSA-N 438.477 4.496 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 727034536 UJFYBTWXUOMPKR-ZIBCJSCZSA-N 429.580 4.287 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3C(C)C)cc2F)CC1 730192609 IJOGUAIQANVLLU-UHFFFAOYSA-N 449.574 4.207 10 20 IICD C[C@@H](NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 730904352 PHXKKAIDJXNMBX-DYESRHJHSA-N 443.519 4.103 10 20 IICD O=C(CN1CCCc2cc(OC(F)F)ccc21)N[C@H](c1ccccc1)c1nccs1 731030128 DJEUYYWOUWXGFX-HXUWFJFHSA-N 429.492 4.403 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)ccc2N1 731058947 IOBCQFOGIPXVKX-UHFFFAOYSA-N 439.562 4.374 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1NC(=O)C(C)(C)C 732437132 PDBRLVRHMPWVHB-UHFFFAOYSA-N 438.572 4.480 10 20 IICD CC(=O)N1CCC(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 734887265 JLEUIMNEELIGOD-UHFFFAOYSA-N 433.346 4.272 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(Cc4ccccc4F)n3)CC2)cc1 735437171 XTEJRNRYBIXUTE-UHFFFAOYSA-N 425.529 4.280 10 20 IICD Cc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c3c2CCC3)c(F)c1 735517426 AZIFZQAOZOTVKR-IBGZPJMESA-N 449.526 4.336 10 20 IICD O=C(NCCOC1CCCCCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 735680811 ILZNECJTCRLVOJ-UHFFFAOYSA-N 443.510 4.081 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1OCC(=O)NC(C)C 740801145 PTRHXWPYIYJPQS-UHFFFAOYSA-N 439.556 4.231 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(N2CCc3sccc3C2)nc1 741058674 INFHDMGILYKNMK-UHFFFAOYSA-N 431.565 4.404 10 20 IICD CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)c1C 742475776 YELMQXTXOWOBJW-UHFFFAOYSA-N 446.551 4.278 10 20 IICD C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755002 UBLLTZSHZCYDEP-KKSFZXQISA-N 445.535 4.041 10 20 IICD Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743098770 UKSVAAGKNVFVSW-QGZVFWFLSA-N 446.498 4.089 10 20 IICD COc1cccc(O[C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743669538 BYAPDPOLAZGJMA-SJORKVTESA-N 449.498 4.032 10 20 IICD CC(C)c1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743975402 QJAGSFCZNVDPRV-SFHVURJKSA-N 431.483 4.135 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 748525731 OROATZSGFPKJLS-UHFFFAOYSA-N 442.567 4.133 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc21 751137815 XQFFXNKLNJUCCK-UHFFFAOYSA-N 442.581 4.215 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 752190028 GGXDIGQQRAGKSG-UHFFFAOYSA-N 439.902 4.490 10 20 IICD C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc(Br)cc(Br)c1O 756590612 OKXRBIRXQJPYLV-GSDQLPOLSA-N 427.202 4.115 10 20 IICD CC[C@H](C)n1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1 760742929 MOEGMVOLJRDWBN-KXBFYZLASA-N 430.980 4.485 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1 760955244 UJHGARNJNTXOFY-UHFFFAOYSA-N 436.556 4.236 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCc4ccc(OC(F)(F)F)cc43)cc2)C1 765256069 SMCDDACDIIYMPD-DYESRHJHSA-N 433.474 4.064 10 20 IICD Cc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1NC(=O)CN1CCCCC1 770540547 HXMWPZJGSFYTJO-UHFFFAOYSA-N 440.563 4.007 10 20 IICD CCN(CC)c1ccc(CNc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cc1F 770552463 ZQMMQBWFRFSNIV-UHFFFAOYSA-N 426.580 4.024 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1 771769238 UPVSEZWLJIXXEY-UHFFFAOYSA-N 430.512 4.375 10 20 IICD Cc1cc(CN2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)on1 772630737 LPIAUMJZRCAQPP-UHFFFAOYSA-N 432.528 4.422 10 20 IICD C[C@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOCC2)c(F)c1 772965794 RCFIFJIIFDVFJR-HNNXBMFYSA-N 430.911 4.259 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ccc(Br)s2)n1 773768696 YLBMGOYRUPDMMH-SECBINFHSA-N 439.356 4.406 10 20 IICD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 773995792 WBBVOVHEDQQOAB-SFHVURJKSA-N 437.565 4.353 10 20 IICD COc1ccc([C@H](CO)N(C)Cc2cc(Br)cc(Br)c2O)cc1 775699868 JBMGJAFJJDIMII-INIZCTEOSA-N 445.151 4.091 10 20 IICD CN1CCCc2cc(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc21 780520054 XZRQJIWTSGXFST-UHFFFAOYSA-N 433.458 4.272 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c(Br)c3)c2)CC1 781045041 AUJAABMFNICVSV-UHFFFAOYSA-N 436.737 4.023 10 20 IICD CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 782514213 LZFKZNQQKRGOHD-UHFFFAOYSA-N 434.600 4.242 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1 785542891 FYNZOZTVBWCYHY-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3nc(-c4ccccc4F)cs3)CC2)cc1 787426993 NIRJKZPTXMLGKE-UHFFFAOYSA-N 440.544 4.380 10 20 IICD CCCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 788311322 DEBTYAAXVYFNBJ-UHFFFAOYSA-N 443.613 4.319 10 20 IICD COc1cccc([C@@H](O)CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 799994872 RBNRFFQVAGQUGU-AOMKIAJQSA-N 431.964 4.118 10 20 IICD O=C(NCCn1ccc2cc(Cl)ccc21)NCc1ccc(N2CCC(CO)CC2)cc1 805759931 WDJUZJSOHANGSG-UHFFFAOYSA-N 440.975 4.003 10 20 IICD O=C(NCc1ccncc1OCc1ccccc1)NCc1cccc(Br)c1O 805764628 IMHMODUZLARHFN-UHFFFAOYSA-N 442.313 4.128 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCCc3cccs3)cc2Cl)C1 807953786 YETUMQTUPXBYMD-INIZCTEOSA-N 434.005 4.003 10 20 IICD CC(C)c1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n(-c2ccccc2)n1 810416042 MUWADIXVGSLLAB-UHFFFAOYSA-N 447.322 4.263 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1cccc(Br)c1 812607481 PWULYECPBYANFO-UHFFFAOYSA-N 442.313 4.005 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCO2 814116953 KPKVFLSQGGIVND-INIZCTEOSA-N 432.467 4.080 10 20 IICD Cc1ncsc1CCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914069894 HWZMYBRRPCQLHG-GDNBJRDFSA-N 438.621 4.280 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 914491403 JPJNMJBZYCHLGB-UHFFFAOYSA-N 446.956 4.245 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c(C)c1 914851291 AMVHRYVDYOVXEJ-UHFFFAOYSA-N 449.529 4.334 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1-n1cnnn1 914914721 XOLBQLRULUMITK-UHFFFAOYSA-N 441.451 4.182 10 20 IICD Cc1cc(C(=O)COC(=O)COc2cccc(NC(=O)C3CC3)c2)c(C)n1-c1ccccc1 914935132 DZFHYQJYYINTPX-UHFFFAOYSA-N 446.503 4.248 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 916673570 XEDTYYADOKOTSZ-UHFFFAOYSA-N 441.503 4.416 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC 917192546 SXVQJEFXPIOEMJ-INIZCTEOSA-N 425.554 4.382 10 20 IICD CC(C)(C)c1nc2cc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2o1 918117912 SLHLQOHBTCNVJL-QGZVFWFLSA-N 449.555 4.149 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1 918308802 QNAVPZGZAMTEKY-UHFFFAOYSA-N 449.473 4.215 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1OCc1cn2ccccc2n1 918371534 LVYIRPWHLVXAOI-UHFFFAOYSA-N 428.492 4.002 10 20 IICD C[C@H](NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 920872512 VHSZUBKKWIXTDB-AQNXPRMDSA-N 438.572 4.020 10 20 IICD COc1ccc(N2CCC(NCc3ccccc3CNC(=O)OC(C)(C)C)CC2)cc1 1324000234 QFIPFZBBROOTDI-UHFFFAOYSA-N 425.573 4.479 10 20 IICD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(O)c(O)c4O)cc3)CCC2)o1 1792299923 PARPHMCAAQGMCA-LFYBBSHMSA-N 448.475 4.166 10 20 IICD Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301591 SMVYVCBKGPTKNJ-ONNFQVAWSA-N 448.475 4.166 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 15360918 MAGGHUNXRDCOKP-UHFFFAOYSA-N 448.894 4.016 10 20 IICD Cc1ccc(NC(=S)NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 18918353 VAUDMDWWVVQBPQ-UHFFFAOYSA-N 433.343 4.283 10 20 IICD O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3Br)s2)SC1=S 96997903 HZUUPPWLCGCSNZ-QPEQYQDCSA-N 440.365 4.463 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 302051692 FUOCZUWLXJLYAU-XMMPIXPASA-N 446.551 4.303 10 20 IICD COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 303035807 QYASUVHMMMSURW-UHFFFAOYSA-N 445.563 4.066 10 20 IICD Cc1c(CNC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n(C)c2ccccc12 472293249 KEXDZICKVXULCY-INIZCTEOSA-N 439.947 4.095 10 20 IICD C[C@H]1CN(C(=O)Cc2occc2C(=O)N2C[C@@H](C)Oc3ccccc32)c2ccccc2O1 498152571 DHRQGUIOCABWHN-DLBZAZTESA-N 432.476 4.064 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)ccc21 553564546 SSHBZRONMNKRLM-IAGOWNOFSA-N 427.589 4.012 10 20 IICD CCN(C)c1ccccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 730127328 OWCHCDFXVOKJRX-UHFFFAOYSA-N 432.515 4.212 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)COCc1ccccc1F 731106991 MENIZQVITRRNAA-NRFANRHFSA-N 444.547 4.181 10 20 IICD COc1cc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)ccn1 733867790 YMNSGOIJSOVCKM-SDNWHVSQSA-N 444.563 4.036 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)CC1 737190446 KKHJZBKPZKKXGW-UHFFFAOYSA-N 434.540 4.442 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc(OC)c1OC 741795930 UFALYHBCYQAAST-UHFFFAOYSA-N 449.507 4.040 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnc(O)c(Br)c2)cc1 742045104 XZINLOLNCLRAIT-UHFFFAOYSA-N 430.302 4.051 10 20 IICD COc1ccc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 742475360 ISQYUNPAELTNJP-UHFFFAOYSA-N 429.542 4.143 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 743719163 RJIMMFQJWBNUDU-FQEVSTJZSA-N 447.362 4.499 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cc(Cl)ccc3OC(F)F)CC2)cc1 745797129 ZOKVOEZUNWTOPS-UHFFFAOYSA-N 439.890 4.418 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745903921 KASFJBNNDPBAAN-GJZGRUSLSA-N 435.471 4.031 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1 752908736 DUPZMESYQMEFQI-HYBUGGRVSA-N 449.551 4.123 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc4ccccc4o3)n2)c(F)c1 753978369 NGLFJIHZEKZJGK-UHFFFAOYSA-N 431.470 4.455 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 756455617 UHDRNGYEMAPDST-CABCVRRESA-N 433.346 4.118 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nc(-c2ccc(F)cc2)ns1 758081825 BXJYBOHZGWVLPY-UHFFFAOYSA-N 429.546 4.219 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 758162219 INUUJKNHAMDUQT-UHFFFAOYSA-N 431.341 4.372 10 20 IICD CCOc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1Cl 759954880 XMGGQZLCFICVHG-UHFFFAOYSA-N 449.935 4.119 10 20 IICD Cc1cc(C)n(-c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2F)n1 765253074 ROCYPWWFBSZWRA-UHFFFAOYSA-N 433.281 4.418 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 767774059 PICLHDYHUUEWKI-NRFANRHFSA-N 442.309 4.339 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NCc2cccc(Br)c2O)c1 770562300 AWKJHHFJDIWKQO-UHFFFAOYSA-N 440.341 4.259 10 20 IICD Cc1cc2c(N3CCC[C@H]3C(=O)NCc3ccc(N4CCCCC4)cc3)ncnc2s1 770921869 ICQQIZHOZIFRFY-NRFANRHFSA-N 435.597 4.275 10 20 IICD COC(=O)C1=NOC2(CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)C1 771458156 NGVAAUWDBVONHR-UHFFFAOYSA-N 449.511 4.092 10 20 IICD COc1cc(Cl)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 775357230 UHXYVOMQVOYAND-UHFFFAOYSA-N 438.914 4.169 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1 777876119 ZECFHAVYLVRPJZ-AQTBWJFISA-N 426.563 4.481 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 777876120 ZECFHAVYLVRPJZ-QGOAFFKASA-N 426.563 4.481 10 20 IICD COc1ccc(N2CCC(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 783957357 JSSSPRTUQHGRQJ-UHFFFAOYSA-N 435.933 4.134 10 20 IICD CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 787868733 BGZAHDGPLFJAFK-FQEVSTJZSA-N 437.584 4.300 10 20 IICD COC(=O)c1sc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c(C)c1Cl 788545378 BZNXZENBKPINHO-UHFFFAOYSA-N 434.973 4.482 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)sc2C1 799432232 LEIGEFZRVQNQON-MRXNPFEDSA-N 428.602 4.188 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(S(C)(=O)=O)ccc3F)cc2Cl)C1 800049612 RRVRUCBBMNMXJJ-AWEZNQCLSA-N 438.952 4.049 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2Cl)C1 800049801 WJOGDIUSFKCSEP-IAGOWNOFSA-N 449.016 4.400 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(c2ncnc3sccc23)C1 807837319 LLXFMANDCLBLRN-NSHDSACASA-N 437.352 4.237 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc(-c4cc5cc(C)ccc5s4)n3)CC2)cc1 810306275 DZTROEGOHDCMGR-UHFFFAOYSA-N 448.548 4.160 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H]1c2ccccc2CC12CCOCC2 811954957 IQPGRXZYUXJJFH-IBGZPJMESA-N 431.330 4.048 10 20 IICD CCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC(C)(C)C1 812066801 GWWMIRRSWCDRHU-FUHWJXTLSA-N 425.520 4.246 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 914506652 QWAMDVHAFSYPLQ-UHFFFAOYSA-N 448.350 4.093 10 20 IICD O=C(NCCCOC1CCCCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916201494 RAWHKNIVOZUUQH-UHFFFAOYSA-N 443.510 4.081 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(OC[C@H]2CCCO2)c1 916624543 FJAGZYJBQBRBBE-JOCHJYFZSA-N 427.570 4.119 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 917860705 BQBJDRFIXVYRAU-UHFFFAOYSA-N 439.902 4.490 10 20 IICD O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294320 PPUYNIIIDVQWQZ-UHFFFAOYSA-N 433.489 4.276 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 919694868 OMHGFRCWYKMMTI-JOCHJYFZSA-N 425.960 4.342 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1SCc1ccco1 919878778 XZCFXZYPOJMCDN-UHFFFAOYSA-N 442.562 4.059 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2)cc1 919911015 QXFSFWFILUAQEE-FQEVSTJZSA-N 445.947 4.261 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920882466 RSYQGUFTRXNPJK-SJORKVTESA-N 447.373 4.239 10 20 IICD COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1C 1340495533 SQLXPRUDVVQXAE-ODLFYWEKSA-N 425.535 4.492 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825779513 TWOGCFAIJBIPEW-QGZVFWFLSA-N 448.972 4.360 10 20 IICD COc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c(C)nc2c1 108453975 MNAFOGSTYDMEAQ-IYBDPMFKSA-N 437.515 4.235 10 20 IICD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C 471233197 BVGPGZBVGCPMBY-FQEVSTJZSA-N 439.943 4.070 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)n(C)c2ccccc12 472785951 ILYDLMJZEVLLNY-UHFFFAOYSA-N 434.721 4.158 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 726316042 UTXFUZVXHMPGJA-SFHVURJKSA-N 435.528 4.195 10 20 IICD C[C@H](NCc1nc(N(C)C)n(-c2ccccc2)c1Cl)c1ccc(N2CCOCC2)cc1 727644938 RDBCYRBAMNRNLG-SFHVURJKSA-N 439.991 4.279 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 728950676 YASPCGQRQKADPF-CYBMUJFWSA-N 434.418 4.166 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 729035877 DYPJSTKPIGKKLW-ZDUSSCGKSA-N 439.434 4.139 10 20 IICD Cc1cc(C(=O)N2CCC(c3nnc(S)n3C3CC3)CC2)c(C)n1-c1ccc(F)cc1 729256174 MKYWLTSFOJAXAW-UHFFFAOYSA-N 439.560 4.468 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C(=O)N(C)C(C)C)ccc3Cl)CC2)cc1 729580161 YDVGYFGEQRNAFV-UHFFFAOYSA-N 444.963 4.183 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 730134134 PBCPUNWZKZFNSG-MRXNPFEDSA-N 431.964 4.327 10 20 IICD COc1ccc(-c2cc(C(=O)NCc3cc(OC)ccc3O)nn2-c2ccccc2)cc1 734016914 NQTDAPOFVRPTOZ-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 734065662 HCPYQERRTPILPU-NVXWUHKLSA-N 434.993 4.054 10 20 IICD COCCOC1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 735061616 JUROXFNTZIYVBC-UHFFFAOYSA-N 435.362 4.124 10 20 IICD Cc1nn(-c2ccccc2)c2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc12 735518187 GVHQYXKFEOFWLV-OAQYLSRUSA-N 442.519 4.256 10 20 IICD C[C@@H]1SCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)[C@@H]1C 735643430 BCPLJERDMGJJFY-CABCVRRESA-N 444.578 4.112 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C 737047214 INIQPTDODNBYTI-UHFFFAOYSA-N 425.533 4.183 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N(C)C)c(Cl)c3)cc2F)CC1 738939963 DJAYWTJVPYSOQX-UHFFFAOYSA-N 433.959 4.009 10 20 IICD COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc(N3CCOCC3)cc2)c1 741729683 CIAQSWBNZJMACD-AREMUKBSSA-N 445.563 4.344 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCSc2ccccc21 741906545 KQBZOYZCULHZRL-GOSISDBHSA-N 436.499 4.438 10 20 IICD O=S(=O)(Cc1ccccc1Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742333970 BIGXWOGSVXAKGX-OAHLLOKOSA-N 430.904 4.030 10 20 IICD CC(C)NC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1 742423403 LVOYFIBQQOLVQF-MRXNPFEDSA-N 448.470 4.415 10 20 IICD COC(=O)c1ccc(C)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743070430 OESRNBWCLBXPFX-INIZCTEOSA-N 433.455 4.174 10 20 IICD O=C1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1c1ccccc1F 745816164 BGFFARLMEBJIGT-HXUWFJFHSA-N 425.504 4.181 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(CCOC(C)C)CC3)c2C)c1 746496121 UQKBISIGUGCWNI-UHFFFAOYSA-N 429.630 4.041 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3C)n2)c[nH]1 747859447 XOTIIHFNTNVQRP-UHFFFAOYSA-N 445.444 4.053 10 20 IICD COc1cc(CCC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1OCC(F)(F)F 749796616 PLZCZFCPFXNYMM-UHFFFAOYSA-N 428.426 4.090 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N(Cc1ccccc1O)C1CCCCC1 752706117 RLTDAVNCMDUTQX-HXUWFJFHSA-N 444.597 4.489 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)cc1 753064475 LQSOKYMXEYKIGM-UHFFFAOYSA-N 448.317 4.073 10 20 IICD C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)c(F)cc1O 756354514 DHIZVHKPZYTDCQ-BLLLJJGKSA-N 429.355 4.079 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2ccc3ccccc3c2O)N2CCOCC2)cc1OC 756361940 IKFULYXSRLFUIE-WZONZLPQSA-N 436.552 4.287 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCC[C@H]3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 756526810 GRCQGIAIBLNQJB-LOSJGSFVSA-N 442.625 4.347 10 20 IICD COC(=O)COc1cccc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756711462 KXURDEJFYSQQIT-LLVKDONJSA-N 428.710 4.211 10 20 IICD C[C@@H](NC[C@H](O)COc1ccccc1Br)c1ccc(Br)cc1O 756760195 MXUPAKTZJBPQNL-YPMHNXCESA-N 445.151 4.008 10 20 IICD C[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1O 757627528 GHKYAUFBLDXTFR-LLVKDONJSA-N 426.325 4.461 10 20 IICD COc1cc(N2CCN(C(=O)c3cncc(-c4cccc(C)c4)c3)CC2)cc(OC)c1OC 759238775 CNRUEUREESOVIK-UHFFFAOYSA-N 447.535 4.045 10 20 IICD C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)cc(F)c1O 760020893 ZLVPOWMHJUHZMZ-CRAIPNDOSA-N 437.353 4.236 10 20 IICD Cc1ccc([C@@H]2OCCC[C@H]2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761360364 KJCFHBSPJGOYIZ-JTSKRJEESA-N 428.916 4.286 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccc(COc2ccccc2Br)cc1 762273898 FLHVKPVUTGLBBJ-UHFFFAOYSA-N 442.309 4.412 10 20 IICD C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 765078751 FDYLQGLNCYWWHH-SFHVURJKSA-N 432.033 4.420 10 20 IICD CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 765129043 ZJXQASXEJKJKRI-KSZLIROESA-N 449.592 4.052 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1Br 765247050 ZZWJWKKWQVQMBN-GOEBONIOSA-N 434.353 4.141 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765253231 QPNZWBIRGDSOFA-UHFFFAOYSA-N 434.334 4.395 10 20 IICD COc1ccc(CN2CCC(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)cc1 765460496 YMJAHFUHIIFAKD-FQEVSTJZSA-N 441.591 4.234 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cc(C)c(C)cc4C)cs3)ccc21 767676296 QSADUFFAQRUZRQ-UHFFFAOYSA-N 443.550 4.464 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(-c2ncn(C)n2)c1 771783790 FWGWVKTXUHICQS-UHFFFAOYSA-N 430.306 4.004 10 20 IICD CC(C)(C)c1ccc([C@@H](O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 773976602 ARGBXVHODUIPPC-VWLOTQADSA-N 438.612 4.323 10 20 IICD COc1ccc(O)c([C@@H](C)NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c1 775365869 ZLCBPXUYMJNGJE-IERDGZPVSA-N 443.490 4.497 10 20 IICD C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(N(C)C)cc1 775409478 GKCKLNJHQRCFOP-MZNJEOGPSA-N 429.520 4.186 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 776245542 HUBQYHXPTAVRDS-KOSHJBKYSA-N 447.583 4.399 10 20 IICD COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 777667730 PPTOXGZPYHPDKU-UHFFFAOYSA-N 437.568 4.053 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 777823604 VHNRSOMCTHIWLF-LJQANCHMSA-N 425.488 4.342 10 20 IICD CCN(CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 787872699 DUKDHVQUEZKOEI-UHFFFAOYSA-N 436.600 4.116 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 791247398 YAAARRUFTTZOQW-UHFFFAOYSA-N 427.501 4.159 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(C2CC2)cnc1Cl 793100794 DXUYVOBMMMNYBQ-UHFFFAOYSA-N 439.865 4.398 10 20 IICD CC[C@H]1CCc2nc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)sc2C1 799432231 LEIGEFZRVQNQON-INIZCTEOSA-N 428.602 4.188 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnc(OCc2ccccc2)c1 800595339 YEYCJSOBUWCXBB-UHFFFAOYSA-N 432.524 4.161 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(F)c2Cl)cc1 806860303 LKCXMZGUZJRGMW-UHFFFAOYSA-N 429.879 4.306 10 20 IICD CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807290855 BXFCAGHDDAKBNA-UHFFFAOYSA-N 445.485 4.135 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(Oc2ccccn2)c1 807513027 PTSZLTIKSHRVES-UHFFFAOYSA-N 432.263 4.141 10 20 IICD Cc1ccc(OC(F)F)c(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 808269548 GVKOTARZLUGXFA-UHFFFAOYSA-N 446.494 4.280 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccc(OC(F)(F)F)c1 809369402 FRQBHAIWJLERSM-OAHLLOKOSA-N 449.473 4.020 10 20 IICD Fc1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)ccc1N1CCOCC1 809786774 KPOSHAWKIHXXES-NRFANRHFSA-N 440.437 4.134 10 20 IICD COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 914438628 DOKVPZZBZGWZRN-UHFFFAOYSA-N 436.581 4.230 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cc1ccccc1 915779183 XNYMVNHOQVRAAV-UHFFFAOYSA-N 443.547 4.141 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916679945 AAEKWRPNRQBEQA-UHFFFAOYSA-N 442.535 4.011 10 20 IICD CC(C)n1ncc2cc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cnc21 916680980 FFBUKQWISUKVRO-HOTGVXAUSA-N 440.523 4.087 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)cc1 917210965 UPSYDMHFBUJKIZ-QGZVFWFLSA-N 431.964 4.205 10 20 IICD Cc1cc(-c2csc(N3CCC(C)CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 917628142 DBNBBKVZCOCZNN-UHFFFAOYSA-N 430.599 4.101 10 20 IICD CCOc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)[nH]c2c1 918140649 NXVPJYHFPKCICV-HOTGVXAUSA-N 425.504 4.249 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)cc1 918310188 OAXSRGUKYDLJOX-UHFFFAOYSA-N 442.610 4.462 10 20 IICD Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971829 YVPDARXCICPOBG-UHFFFAOYSA-N 439.556 4.073 10 20 IICD O=C(CN[C@@H](c1ccccc1)c1ccccn1)Nc1cccc2c1C(=O)c1ccccc1C2=O 25416783 JOQFFELKOYUHON-SANMLTNESA-N 447.494 4.175 10 20 IICD COc1ccc(Br)cc1/C=C1\SC(=S)N(CCc2ccccn2)C1=O 726196970 IIRBAGJNZYMQJJ-WJDWOHSUSA-N 435.368 4.297 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] 726565432 NHEBVZFVCMNOKW-UHFFFAOYSA-N 425.819 4.248 10 20 IICD Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(CC(C)(C)CN(C)C)C3=O)c2C)no1 727176929 SZLBJJMEAFJRGP-YVLHZVERSA-N 432.615 4.180 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc(C)ccc3F)sc2C)s1 727249179 PDKFDKOXPNQMTR-UHFFFAOYSA-N 439.559 4.064 10 20 IICD CC1CCN(c2ccc(CNC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2)CC1 731017140 XZEPKZVJCPSZBM-UHFFFAOYSA-N 448.592 4.491 10 20 IICD CC1CCN(c2ccc(CNC(=O)CNC(=O)Cc3cccc4ccccc34)cc2)CC1 731053019 ASSAANFPSSTCQR-UHFFFAOYSA-N 429.564 4.051 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1F 731364066 KGRXADKBABGDCF-UHFFFAOYSA-N 432.584 4.042 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1)C(C)C 735174209 KTCLWCCCDVYHRA-LJQANCHMSA-N 438.572 4.163 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2c(c1)C[C@H](C)O2 735330543 QULXPUFRTOEEQU-SXUYUPPPSA-N 427.503 4.153 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)cc21 737380365 HVHXYCJENOETPI-UHFFFAOYSA-N 433.580 4.280 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 741678050 IPUSWKVUOVWSEL-HSZRJFAPSA-N 437.584 4.100 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)cc2)CC1 742649224 KLLHVIHUQOCICO-UHFFFAOYSA-N 427.545 4.471 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(F)(F)F)cnc1O 743119785 XLAMWBTUASEHMF-UHFFFAOYSA-N 434.212 4.328 10 20 IICD Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)N2CCCC2)cc1 747306146 UHAKFBUNPNLNPX-ZEQRLZLVSA-N 437.584 4.228 10 20 IICD CO[C@H](C)c1noc(CN2CCCN(Cc3cc4oc5ccccc5c4cc3O)CC2)n1 749980650 VUPVABBUZCQXNK-MRXNPFEDSA-N 436.512 4.090 10 20 IICD C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1Cc1ccccc1 751098369 GINKTXJOZVGFOY-HUVFLSCGSA-N 437.584 4.136 10 20 IICD O=S(=O)(Cc1c(Cl)cccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 751121554 ZPKRRGJHUMOKKW-OAHLLOKOSA-N 430.353 4.210 10 20 IICD COCCN(Cc1cc(OC)c(OC)cc1Br)c1ccc(OC)c(OC)c1 751474514 DTYODEUCNUGZBS-UHFFFAOYSA-N 440.334 4.137 10 20 IICD C[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(Cl)cc1 751936828 LVWHMFFLYJHZKU-CYBMUJFWSA-N 429.929 4.004 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCc4c(F)ccc(Br)c43)cc2)C1 760325600 IMQDTHGLLPDNAL-MGPUTAFESA-N 446.364 4.067 10 20 IICD C[C@H]1CN(c2ccc(CN3C(=O)N[C@@H](c4ccc(Cl)c(F)c4)C3=O)cc2F)C[C@@H](C)O1 761093968 WQPDCAVPSZFCCL-RDXCRGQUSA-N 449.885 4.025 10 20 IICD C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C)c1ccc(N2CCOCC2)cc1 765331454 FZABQQYGSQTEFC-RTBURBONSA-N 429.992 4.264 10 20 IICD C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 765987396 JRFRCMPYDMKNSJ-ROUUACIJSA-N 445.554 4.174 10 20 IICD C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cccc(Br)c2O)CC1 769160538 IQGWTAURLQJFLV-CYBMUJFWSA-N 449.374 4.145 10 20 IICD C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770382472 TXBIFNZOHLUVKP-PKOBYXMFSA-N 432.565 4.463 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCO4)n2)c(F)c1 771596625 QWSLVYDRCUENAP-UHFFFAOYSA-N 447.513 4.033 10 20 IICD Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 772764912 IOGNSAQDXCRGJP-AGUXYKHFSA-N 448.431 4.251 10 20 IICD C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)c1ccc(N(C)C)cc1 773614204 SGIQBFGRZSCNGK-QGZVFWFLSA-N 429.634 4.095 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1 775030298 SIHZSFQEEYHVJX-UHFFFAOYSA-N 441.583 4.498 10 20 IICD CCOc1ccc(O)c(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1 775319697 XVHTXXLDPIPEJA-UHFFFAOYSA-N 432.476 4.078 10 20 IICD COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC 775402291 CBOOUJRVBVQSRX-OAHLLOKOSA-N 437.496 4.106 10 20 IICD CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 777272281 VCQPIIMFSNZNEO-PZJWPPBQSA-N 430.593 4.075 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 781309861 KQJGCRXPSQGWSU-LJQANCHMSA-N 444.531 4.254 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@H](c3ccnn3C)C2)NC(=O)OC(C)(C)C)cc1 790491684 XDLWZLRJNIVELR-VWPQPMDRSA-N 441.620 4.368 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(Br)cc(F)c1O 798940286 SCLJZZCHCGZLOV-XIKOKIGWSA-N 437.309 4.385 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncsc4c3)cc2Cl)C1 800636926 QYOQMUNBMDYDII-AWEZNQCLSA-N 442.972 4.441 10 20 IICD CN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 803677288 LOIHZKVGNJNCQI-UHFFFAOYSA-N 429.511 4.009 10 20 IICD COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 806458467 YMZBXXGNSKGLJC-GCJKJVERSA-N 441.547 4.354 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)c1ccc(N(C)C)cc1 806986104 GQHFULYFAPIGES-JTQLQIEISA-N 442.716 4.124 10 20 IICD Oc1ccc(Cl)c(F)c1CN(CCn1ccnc1)Cc1ccc(Br)o1 809752479 DNIJGJXPMOJZOA-UHFFFAOYSA-N 428.689 4.439 10 20 IICD Cc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812394134 PAVISDHPXALUHD-CTNGQTDRSA-N 437.613 4.331 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)s1 824980364 AYVZXXBYGLNWBS-UHFFFAOYSA-N 441.987 4.270 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 915753613 VXENEKQQODBNQC-UHFFFAOYSA-N 445.479 4.055 10 20 IICD Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cs1 915847318 BKHMUCNALBXJEU-UHFFFAOYSA-N 438.553 4.097 10 20 IICD CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 915902221 UYJROIOZXHRWLA-XZOQPEGZSA-N 425.573 4.166 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc4c(cc3Cl)OCO4)cc2F)C[C@H](C)O1 916673734 VZDKLSCNVIONEI-STQMWFEESA-N 435.883 4.143 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(F)cccc1F 918102103 RAEBVIBDFKMAAN-ZDUSSCGKSA-N 443.416 4.381 10 20 IICD O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 918140599 YAFZQMFXMGPJDI-HYBUGGRVSA-N 438.524 4.005 10 20 IICD O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294269 OSLQOAVIVZQMFH-UHFFFAOYSA-N 434.370 4.051 10 20 IICD Cc1cc(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c(C)n1-c1ccc(Cl)cc1 918595372 OZUFPKPNQKPRRW-IBGZPJMESA-N 427.976 4.055 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccc(Br)cc2)CCC1 919860306 SBRMEZNRZCAIIS-UHFFFAOYSA-N 429.358 4.024 10 20 IICD Cc1nn(C(F)F)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 920919993 KUJOZHCQOJVXGV-UHFFFAOYSA-N 433.430 4.410 10 20 IICD Cc1cc(NC(=O)NCc2cccc(Br)c2O)nc(C)c1Br 1116793433 LGZGUZICZPKYAP-UHFFFAOYSA-N 429.112 4.251 10 20 IICD Cc1ccccc1-n1c(C)cc(-c2nnc(Cc3csc(N4CCOCC4)n3)o2)c1C 1326926763 HOLFUVJGXIKAEG-UHFFFAOYSA-N 435.553 4.336 10 20 IICD CCCS(=O)(=O)N1CCCC[C@@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1328165300 BDLMMERSNLEFFX-HXUWFJFHSA-N 428.558 4.411 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2Cl)C3)cc1 1845398933 UBIBJZMUYFAFLT-UHFFFAOYSA-N 448.954 4.273 10 20 IICD Cn1c(-c2ccccc2)cnc1SCCS(=O)(=O)c1ccc(Br)cc1 11395572 GIXYGYRIOIDYIN-UHFFFAOYSA-N 437.384 4.416 10 20 IICD CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 195719399 FIPCFFADQWLDAF-UHFFFAOYSA-N 439.585 4.095 10 20 IICD O=C(CN1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)N1CCCCC1 255758091 WSNPUSOVFJVVGI-UHFFFAOYSA-N 434.544 4.264 10 20 IICD COc1ccc(N2CCC(NC(=O)c3[nH]c4ccccc4c3Br)CC2)cc1 726561761 QHRZPYUZOUMVNM-UHFFFAOYSA-N 428.330 4.338 10 20 IICD Cc1cc(CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(C)n1-c1ccc(Cl)cc1 728473263 VNTLGCDEKZSELJ-UHFFFAOYSA-N 447.926 4.213 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)ccc21 728517385 BDSQHSNPBWDSSW-LJQANCHMSA-N 443.588 4.281 10 20 IICD CCCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730135088 QXHNYEZSBAJFES-UHFFFAOYSA-N 430.543 4.229 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 731047997 BQTSDGULEKBMBO-UHFFFAOYSA-N 444.620 4.369 10 20 IICD Cc1cc(C(=O)NCCNC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(Cl)cc1 732967244 LVOALZLZAQCGAR-UHFFFAOYSA-N 431.870 4.186 10 20 IICD C[C@@H](NC(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccc(N2CCOCC2)cc1 733844638 REPOBJDOHAHUPH-QGZVFWFLSA-N 435.553 4.347 10 20 IICD Cn1cccc1[C@@H]1CCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 734237475 WRKUCXZKDGBCRZ-AATZCTEQSA-N 445.635 4.432 10 20 IICD CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 734936046 GJPRICAKASZRPM-HKBQPEDESA-N 447.576 4.031 10 20 IICD CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 741212152 NJGOSWVCJMKFIT-NRFANRHFSA-N 428.621 4.149 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2Cl)NC(=O)OC(C)(C)C)cc1 742750551 DWXVPESKZVVNJE-FQEVSTJZSA-N 431.964 4.331 10 20 IICD CCOc1cccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742751117 RPNAKTLIPKHQHE-OAQYLSRUSA-N 427.545 4.147 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1cccc(Br)c1 743623592 ISYALDGXHOGKGP-INIZCTEOSA-N 430.346 4.092 10 20 IICD COc1cc(NC(=O)CCN(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)cc1Cl 744401253 BSTWXOZSUHWQAW-KRWDZBQOSA-N 448.947 4.073 10 20 IICD COc1ccccc1-c1noc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 745920175 QYPCRSZMZHGCAC-QGZVFWFLSA-N 437.544 4.492 10 20 IICD COc1cccc(C2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1 748335753 VFJGLZUMYDLZBE-UHFFFAOYSA-N 425.598 4.338 10 20 IICD COc1ccc(-c2noc(CCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)n2)cc1 751298596 BBHHMDBNOHSROT-UHFFFAOYSA-N 440.463 4.026 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)cc1F 753738734 SXQDJNBWIUQMDA-UHFFFAOYSA-N 433.483 4.049 10 20 IICD CCOC(=O)C(F)(F)[C@H]1CC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 760173086 VOLHJOLCCATGIL-HOCLYGCPSA-N 432.458 4.214 10 20 IICD O=C(Nc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1)C1CCCC1 761127756 QKZWNMCZNFLLFM-UHFFFAOYSA-N 441.915 4.139 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3cccc(N4CCOC4=O)c3)cc2F)C[C@@H](C)O1 765117031 AOHCJGURVQKEQG-KZNAEPCWSA-N 427.520 4.247 10 20 IICD OCC1CCN(c2ccc(CNC3CCN(Cc4ccc(Cl)cc4)CC3)cc2)CC1 765298528 VWTVBJDMKSGIOP-UHFFFAOYSA-N 428.020 4.303 10 20 IICD COc1ccc(N2CCC(N[C@@H](C)CC(=O)Nc3cccc(Br)c3)CC2)cc1 765639179 VFQVPSLUEWESNK-INIZCTEOSA-N 446.389 4.433 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2nccn2-c2ccccc2)c(C)n1-c1ccccc1 766051214 LOFZCQJOFFHAGL-UHFFFAOYSA-N 433.533 4.078 10 20 IICD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 768073005 BGSTXJAXUWCKSK-UHFFFAOYSA-N 447.583 4.108 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Cl)c1F 768946402 NHOQYHSVXXHACX-UHFFFAOYSA-N 447.982 4.465 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ncccc1OCC(F)(F)F 769292012 PZIOUFMWWWTYRV-UHFFFAOYSA-N 433.224 4.153 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 769292886 VPWIRMZITMDZBP-CVEARBPZSA-N 441.366 4.197 10 20 IICD C[C@H](Cc1cccc(O)c1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769431349 NZYINIKHNPIGHC-VVTMIQRTSA-N 446.619 4.183 10 20 IICD CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769688584 AIBGJUMKYXWOJM-MRXNPFEDSA-N 448.591 4.466 10 20 IICD CC[C@H]1c2ccccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769859751 SYZOKGTZIZUWOV-IBGZPJMESA-N 442.562 4.404 10 20 IICD C[C@@H](NCC1CCN(C2CC2)CC1)c1cc(Br)cc(Br)c1O 774495563 JXGDIKCFQXTHFO-LLVKDONJSA-N 432.200 4.442 10 20 IICD CC(=O)c1cc(F)cc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O 774919034 PSEIQLUXARCAGA-LJQANCHMSA-N 438.421 4.206 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 775539155 OPJDPMMQMRFCJJ-UHFFFAOYSA-N 447.532 4.126 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 778620456 MSZJFEAHBOSMKO-HRAATJIYSA-N 434.005 4.469 10 20 IICD CC(=O)N1CC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc2C1 779070673 CRVIJBMQYMWGBA-XXBNENTESA-N 429.511 4.340 10 20 IICD O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896732 UIRWDILBZHYWDK-UHFFFAOYSA-N 436.430 4.433 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)ccc1C 783483374 VDJVGWHDAWFXHQ-KRWDZBQOSA-N 431.492 4.097 10 20 IICD Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 785294141 LHHIXGXEVPBIHF-INIZCTEOSA-N 436.533 4.243 10 20 IICD c1ccc(CN2CCc3cc(CNc4cnn(Cc5nnc6n5CCCC6)c4)ccc32)cc1 796357734 CLVHRQXDCAXAML-UHFFFAOYSA-N 439.567 4.034 10 20 IICD CCOc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1S(=O)(=O)N(C)C 796401193 BONCMANJJBWRLC-UHFFFAOYSA-N 426.538 4.320 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 806457224 GWCXBUWYRPIGRP-ZOCZFRKYSA-N 449.954 4.016 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 808266679 RDJKLHLIBXSLJT-HZPDHXFCSA-N 436.474 4.458 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc(Sc2ccccc2)ns1 809881933 OVKKONHPJBJYRV-UHFFFAOYSA-N 441.582 4.190 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810316021 LJDDGTWARSQSFO-UHFFFAOYSA-N 445.445 4.049 10 20 IICD C[C@H](NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(N(C)C)cc1 811905410 CVMYYZUSIIPKGP-RXVVDRJESA-N 444.620 4.492 10 20 IICD CCOCCCn1c(CC(C)(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812200122 PLEDVSSFRGVBLH-UHFFFAOYSA-N 429.609 4.019 10 20 IICD OCC1CCN(c2ccc(CN[C@H]3CCc4cccc(Br)c4C3)cc2)CC1 815120570 TWEACZBAQCFIKF-FQEVSTJZSA-N 429.402 4.305 10 20 IICD CCC[C@@H](C)C(=O)NCCN[C@H](C)c1cc(Br)cc(Br)c1O 815632379 KZWUTBFZBKMKBT-GHMZBOCLSA-N 436.188 4.120 10 20 IICD CCOC1(C)CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 816788321 BSQXFLJTELJCBR-PEZBUJJGSA-N 438.640 4.147 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2C)cs1 916098436 FSMQYQQJRCZNGY-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 916648441 HIJCQCWAOIIJGT-XMSQKQJNSA-N 439.556 4.268 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)cc1 917907119 QINLOPZCFZSGKD-UHFFFAOYSA-N 432.523 4.171 10 20 IICD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918117338 CJSKDAIOFFLXHF-OAQYLSRUSA-N 436.600 4.027 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCOc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918219910 QSEAVIWHRFHUEQ-QZTJIDSGSA-N 447.526 4.189 10 20 IICD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2[N+](=O)[O-])C1 918374597 PEFZETAERQRJMF-HDICACEKSA-N 438.528 4.166 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)c2C)cc1 919859513 KPMMFRWUBIKAAY-UHFFFAOYSA-N 447.535 4.136 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)OC[C@H]3CCCO3)c2C)c1 921098518 LXVNADBSWBATLP-PKOBYXMFSA-N 431.554 4.126 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C)ccc1SC1CCCC1 1116669055 DTOAHVFYRONPKN-IBGZPJMESA-N 443.565 4.345 10 20 IICD Cc1cc(C(=O)COC(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1ccccc1 10988097 SILASQFYRFMBMQ-UHFFFAOYSA-N 431.444 4.005 10 20 IICD Fc1ccccc1-c1n[nH]cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 237883703 AELFKQJFVXLXOK-UHFFFAOYSA-N 434.437 4.361 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)ccc21 500224774 BUFRKOXXWJNFIQ-FQEVSTJZSA-N 435.568 4.196 10 20 IICD CN(Cc1ccccc1)c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 727936215 MSMVXZPNSZMNPU-UHFFFAOYSA-N 430.552 4.481 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)c2C)cc1C 728915071 KYXNWDUTNWHBFF-NRFANRHFSA-N 431.584 4.311 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(COCC4CC4)c3)cc2)CC1 731131069 DGIDABOGPCEYEB-UHFFFAOYSA-N 435.568 4.104 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 731281024 NIDLQKFVBXPFBZ-QZTJIDSGSA-N 429.536 4.267 10 20 IICD O=C(COC(=O)Cc1csc(-c2nc[nH]n2)n1)Nc1ccc(N=Nc2ccccc2)cc1 731906941 WBDHPLXETXCMOL-UHFFFAOYSA-N 447.480 4.068 10 20 IICD O=C(NCCCSc1nccs1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 733880275 DLLSIYAPCFAYKV-HNNXBMFYSA-N 444.409 4.353 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(OC(F)F)cc1C 743283184 XKXSHBWDLIXNPH-SXGWCWSVSA-N 434.489 4.410 10 20 IICD COc1ccccc1O[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743692300 WNKBWBJNSYIKDR-DLBZAZTESA-N 449.498 4.032 10 20 IICD CCOc1ccc(C(=O)CCC(=O)NCc2c(O)ccc3c2CCCC3)cc1OCC 743717081 PBGUGFLBILBQAB-UHFFFAOYSA-N 425.525 4.348 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1Cl 743735067 CNKZDPUSYVQBQP-GFCCVEGCSA-N 425.819 4.248 10 20 IICD COCCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745906152 XRUIXQIJVXOQQX-FQEVSTJZSA-N 447.526 4.158 10 20 IICD Cc1cc(C(=O)Nc2cccnc2-n2cncn2)c(C)n1-c1ccccc1Br 748728959 ZHWUFTRIWWWIOQ-UHFFFAOYSA-N 437.301 4.085 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2cccc(Br)c2)C1 748824796 JAYGOGJCGNUAQA-OAQYLSRUSA-N 444.373 4.332 10 20 IICD C[C@H]1CN(c2ccc(CNC(=S)NC34CC5CC(CC(C5)C3)C4)cc2F)C[C@H](C)O1 750994531 IOHKAFFLCCPJSC-UIZUNIQMSA-N 431.621 4.372 10 20 IICD COc1cccc([C@@H]2C[C@H](C)CN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 753110573 ZBSPETAKOAMOMW-XDHUDOTRSA-N 441.547 4.088 10 20 IICD COc1c(F)ccc(F)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 755412682 IJWUMEHDTYYHGS-GOSISDBHSA-N 449.498 4.035 10 20 IICD C[C@H](N[C@@H]1CCCc2c1cnn2C)c1cc(Br)cc(Br)c1O 756400036 ADGSIJCFJFSGBJ-LKFCYVNXSA-N 429.156 4.379 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3ccc(F)cc3O)c2)cc1 756583655 PONHSFVVXOXEAV-OAHLLOKOSA-N 430.501 4.192 10 20 IICD C[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)c(F)cc1O 756650154 LPHXJCSZPTXLIH-GDBMZVCRSA-N 435.337 4.178 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccn(C3CCCC3)n2)NC(=O)OC(C)(C)C)cc1 763418949 MUJRALBKIYWSOP-NRFANRHFSA-N 441.576 4.060 10 20 IICD C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1Cl 765368847 FIFSBYAAFDPPHR-GOSISDBHSA-N 427.976 4.263 10 20 IICD Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765387100 YMPGTHZJDLBDLX-UHFFFAOYSA-N 438.478 4.452 10 20 IICD CCC[C@@H]1C(=O)NCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 765704509 SAKQLRXZYZTOAU-LJQANCHMSA-N 440.927 4.228 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccco1 769035366 VJMZRJBECRAUON-VWLOTQADSA-N 449.551 4.086 10 20 IICD COc1cccc(CNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1O 771017320 WWXLTKRZEOPMAD-UHFFFAOYSA-N 434.521 4.109 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2CCN(c3ccncc3)CC2)cc1 772611364 FDCHAPQEHCEYEB-UHFFFAOYSA-N 447.583 4.369 10 20 IICD C[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccc(N(C)C)cc1 773023901 LCWQHUAUEHMBRG-KRWDZBQOSA-N 439.943 4.138 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 773739477 ANFVVHGGFNMVCO-LBPRGKRZSA-N 447.354 4.274 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(N(C)C)cc1 773844743 GJJLKWSAYSGOQN-INIZCTEOSA-N 428.964 4.212 10 20 IICD CCC[C@@H](NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O)c1ccccc1 775192477 NAWKJIZTWIUIEC-GOSISDBHSA-N 433.346 4.161 10 20 IICD C[C@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCOCC2)cc1 775254481 JQQQRNBMVKHMBQ-INIZCTEOSA-N 440.544 4.075 10 20 IICD CC[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(Br)ccc1O 775493955 XLUJECGCENEVHL-FQEVSTJZSA-N 447.373 4.096 10 20 IICD Cc1nc([C@H]2CCCCN2Cc2cc(Br)cc(Br)c2O)no1 775659512 ISFVPBXZBSBOFM-CYBMUJFWSA-N 431.128 4.336 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3cccnc3)c3cc4ccccc4o3)cc2)C1 779392880 OOIQBZVHAYPRPJ-NVQXNPDNSA-N 440.547 4.409 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccnc1N1CCCCC1)c1ccc(N)cc1 783482604 IRKYNFFUJHAKMZ-IBGZPJMESA-N 443.551 4.387 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nn(C3CCCCC3)cc2C)cc1 784649038 CVPWWZCVSOHNLT-UHFFFAOYSA-N 425.577 4.140 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)c(O)c1 797627446 KBLSKGQZQJOGLE-UHFFFAOYSA-N 427.501 4.250 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCc1nnn(CC(F)(F)F)n1 799300731 YERFQNCTALSTCA-UHFFFAOYSA-N 447.284 4.174 10 20 IICD CC(=O)NC1CCC(N(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 800721243 YUUORZHFCSMTAA-DZIBYMRMSA-N 435.012 4.165 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1 802188137 YGESUNBAPWRSRS-JOCHJYFZSA-N 447.583 4.115 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(Br)cc(F)c1O 806168785 AMFIHXVNIMSCQQ-CMPLNLGQSA-N 441.263 4.278 10 20 IICD CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 807002782 PPUUETMZGRZABK-SFHVURJKSA-N 444.535 4.094 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)CC2)cc1 810181492 NOPPLOWWWPYFQS-UHFFFAOYSA-N 445.585 4.481 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1c1cccnc1 813584574 DPHNISYBGRYDDO-FQEVSTJZSA-N 448.489 4.230 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815593423 LNAZKWSOBPXRAW-UHFFFAOYSA-N 430.810 4.322 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2ccco2)n1 914505569 LROVOJKQGHUDIL-UHFFFAOYSA-N 426.542 4.034 10 20 IICD CC(=O)Nc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 915119289 ZCTYYSIEEKXRCT-QFIPXVFZSA-N 426.586 4.089 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 917416835 AXRGDDAPOWRBOW-UHFFFAOYSA-N 441.576 4.084 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)cc2C[C@@H]1C 918195769 APPHSZBNUWSKNF-NSHDSACASA-N 431.539 4.118 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1 918310716 SNZYWBLTONCZJV-UHFFFAOYSA-N 432.362 4.201 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 918310802 PPIWJLFLBRTCSE-UHFFFAOYSA-N 435.446 4.173 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1C 919994730 YQOLPQFJZVWUIS-DEOSSOPVSA-N 430.552 4.105 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 920345088 WIVGJUNTZAHJEL-QGZVFWFLSA-N 440.371 4.079 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 1324248068 UZACFAUZWQVEPK-OAHLLOKOSA-N 441.881 4.278 10 20 IICD CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740683 NNQXCYJTSXQQLI-GHOSXJJBSA-N 434.964 4.197 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 9975481 QUPZNCAPQKHNHJ-UHFFFAOYSA-N 441.478 4.048 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(NC2CCCCC2)sc1=S 28707085 WNKSLIMMSNGSEK-UHFFFAOYSA-N 433.647 4.345 10 20 IICD COc1cc(Br)c(NC(=S)NCCCN(C)c2ccccc2)cc1OC 726476176 FMDCBKFULMWNNS-UHFFFAOYSA-N 438.391 4.279 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Br)c1O 730284599 XDEWMMCNRLGYHQ-UHFFFAOYSA-N 441.272 4.155 10 20 IICD Cc1cccc(-c2nnc(S)n2CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731014642 DIJQCXLFJLATQI-UHFFFAOYSA-N 435.597 4.095 10 20 IICD Cc1ccc(NC(=O)C2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)nc1 731047978 AUYZXNMJOHHUCY-UHFFFAOYSA-N 449.599 4.187 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 732564893 VNECCOGLJFORRP-OAQYLSRUSA-N 444.579 4.325 10 20 IICD Cc1ccccc1C[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 734217058 RSXVGUPYHFMMST-OAQYLSRUSA-N 425.548 4.012 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 738298284 HLNNOWWDMXVKKX-FQEVSTJZSA-N 439.600 4.312 10 20 IICD Cc1cc(Br)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 742278441 GUZUBTSLUAMSQA-UHFFFAOYSA-N 429.405 4.238 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)Nc3ccc4c(c3)OCCCO4)C2)cc1 743015446 GJWPAGAYONUAQH-MRXNPFEDSA-N 449.523 4.405 10 20 IICD COc1cccc(CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1O 745812152 PJGHRIGUIDNQFE-UHFFFAOYSA-N 438.355 4.171 10 20 IICD Cc1cccc(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 749146614 RIHOBUXWUZRMJX-JXAWBTAJSA-N 430.620 4.397 10 20 IICD O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 750302589 MNHIDCOOQVAJKE-FDDCHVKYSA-N 436.512 4.331 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)cc1C 751126231 JBJWQZVGTSFYAB-UHFFFAOYSA-N 425.535 4.378 10 20 IICD O=S(=O)(c1c(Cl)nc2sccn12)N(Cc1ccccc1O)C1CCCCC1 751137474 SFKIMTPARKYCJC-UHFFFAOYSA-N 425.963 4.278 10 20 IICD Cc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c(Cl)c1 751936942 OFFBSNYQVCKVHK-ZDUSSCGKSA-N 429.929 4.462 10 20 IICD COc1ccc([C@H](CNC(=O)NCCCSc2nccs2)N2CCCCC2)cc1 759537255 CKXNFQMJJURBSY-IBGZPJMESA-N 434.631 4.160 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 760304302 JIBKACQPTYPZOE-UHFFFAOYSA-N 436.580 4.021 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCc4c(F)ccc(Br)c43)cc2F)CC1 760327558 VVXHQQQHNLBIOQ-LJQANCHMSA-N 437.328 4.466 10 20 IICD O=C(CCc1nnc(C2CCCC2)o1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760571907 CBMAOYUKPTYFNE-INIZCTEOSA-N 434.487 4.046 10 20 IICD CCOc1cccc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 760639999 PACUUHFCBOUOQQ-FOWTUZBSSA-N 448.591 4.267 10 20 IICD C[C@@H](NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 764760161 CCFRDHOCRAZTDW-KOSHJBKYSA-N 447.982 4.040 10 20 IICD C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 765083146 YOEVSEAJYPHFIF-HNNXBMFYSA-N 426.554 4.087 10 20 IICD C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 765403068 QLLKHFRNALEICP-NRFANRHFSA-N 441.591 4.378 10 20 IICD Cn1ccnc1[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(Cl)cc1 765453492 LCLQPKTWXJFQGV-INIZCTEOSA-N 449.736 4.130 10 20 IICD CN(C)c1ccc([C@@H](CNCc2cncc(Br)c2)NC(=O)OC(C)(C)C)cc1 767183669 ZWRXICMSELGZFC-LJQANCHMSA-N 449.393 4.266 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3COC3CCOCC3)c2)CC1 767882068 MZKGUYPJEPRDQC-UHFFFAOYSA-N 437.584 4.165 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl 768118365 YDONGTXBOPZKEQ-UHFFFAOYSA-N 436.339 4.029 10 20 IICD Cc1ccncc1[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 771387055 KJXZVJMEJOZBOE-SWEABUAFSA-N 431.608 4.310 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3ccc(C)cc3Br)CC2)cc1 771932023 LYVMFAQDZNWXMR-UHFFFAOYSA-N 431.374 4.438 10 20 IICD Nc1c(Cl)cc(N2C(=O)CN(Cc3cccc(Br)c3)C2=O)cc1Cl 772119502 DMIKPDCYTCSCFQ-UHFFFAOYSA-N 429.101 4.307 10 20 IICD COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 772283050 QRMJAFPYEKEJHM-QGZVFWFLSA-N 436.512 4.478 10 20 IICD Cc1cc(C(=O)NCc2nc(CN3CCCCC3)no2)c(C)n1-c1cccc(Cl)c1 773486596 GRJYKPIGYXGRDE-UHFFFAOYSA-N 427.936 4.046 10 20 IICD CCOc1ccc(CN(CC(=O)NC[C@H]2CCCO2)c2ccc(OC)c(Cl)c2)cc1 779564782 FFKGNQXTQZKSIN-HXUWFJFHSA-N 432.948 4.049 10 20 IICD Cc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1Cl 779967827 ZVOCGMJEVXYTDZ-UHFFFAOYSA-N 425.939 4.194 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC 788516191 BPOVBLWFZDJCDT-SJLPKXTDSA-N 434.330 4.324 10 20 IICD COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(Cl)c1F 792505082 SGADCLNTUAHLAP-OAHLLOKOSA-N 436.867 4.184 10 20 IICD CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c2)C1=O 794257014 GORAZEALOYPWEB-OAQYLSRUSA-N 434.471 4.320 10 20 IICD O=C(c1cn2ccc(Br)cc2n1)N(Cc1ccco1)Cc1ccccc1O 797190952 RNEJHEXTSVZBRP-UHFFFAOYSA-N 426.270 4.238 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)c(O)c1 797389030 MEWDWVKHUWSTLQ-UHFFFAOYSA-N 428.847 4.115 10 20 IICD C=CC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800047458 LWJPYSNFIAKPQH-QGZVFWFLSA-N 425.960 4.309 10 20 IICD Cc1nn(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(C)c1[N+](=O)[O-] 800047785 PNSQUPPNXMFOOP-CQSZACIVSA-N 433.940 4.004 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(nc3O)CCCC4=O)cc2Cl)C1 800571423 JIHYZCIIUYHKDL-CQSZACIVSA-N 427.932 4.126 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N(CCC(N)=O)Cc3ccccc3)cc2Cl)C1 800699463 UQFVOQAFFWMMIW-SFHVURJKSA-N 442.991 4.164 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COC)C1 802617038 NSBYSLKDIIDTCT-NRFANRHFSA-N 437.588 4.252 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1 804461222 VEGINVSMPHRYCF-UHFFFAOYSA-N 439.987 4.137 10 20 IICD O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807543778 LWGJYIMDGPHEJS-UNMCSNQZSA-N 432.520 4.357 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc(OC)c1OC(C)=O 814292965 CIFCDAXOYSSQPT-IXWQGDBBSA-N 435.567 4.409 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](c3ccccc3F)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 815579614 RCZGDPVIRMMVKQ-BKUKFAEQSA-N 442.600 4.328 10 20 IICD CN1CCN(c2ccc(CNc3cc4c(cc3NC(=O)OC(C)(C)C)OCO4)cc2)CC1 816602958 SWPYEZXYCOLDJE-UHFFFAOYSA-N 440.544 4.126 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1 818638105 BPXQRCPMGCLHHD-JTSKRJEESA-N 434.515 4.110 10 20 IICD CCOc1c(Cl)cccc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857472861 OYOWPPSFGNKKDI-GOSISDBHSA-N 437.367 4.421 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1Cl 914577957 DWSNOAJLNYKJEW-UHFFFAOYSA-N 439.902 4.490 10 20 IICD Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916628393 MNVMENMOJNXHOB-DEOSSOPVSA-N 448.567 4.210 10 20 IICD COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(N2CCCCC2)cc1 917960437 CCYCHIKSHPHDOD-NRFANRHFSA-N 425.554 4.452 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccccc3)cc2)C1 918122931 NUUSMPZSRFWQHP-VWNXMTODSA-N 434.584 4.215 10 20 IICD CCCCS(=O)(=O)N1CCC(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)CC1 1322039454 FLRYPMPJORPCOK-UHFFFAOYSA-N 442.585 4.453 10 20 IICD CCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)CCC1 1781753221 GLTWOTAIGCMUOY-HHHXNRCGSA-N 449.595 4.118 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC=CO2)cc1 1798409086 GJBFOSOISGNVDZ-IGABQKFOSA-N 433.552 4.039 10 20 IICD Fc1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1N1CCOCC1 237856772 ZMWGJWCHUHYGHQ-UHFFFAOYSA-N 434.437 4.157 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 726610652 NOTGGBAWZWNGEC-XMMPIXPASA-N 439.556 4.132 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 726619497 ASGAWWZLPCFHCN-SFTDATJTSA-N 444.373 4.282 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(C)n1-c1nccs1 726627905 SFTUYBHXYBVYBF-YBEGLDIGSA-N 440.575 4.055 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)CC2)cc1 726714973 CNDWTVYIAVVEOT-UHFFFAOYSA-N 431.540 4.039 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(F)c1 727248195 ILKUDCXZAMVXJZ-UHFFFAOYSA-N 441.437 4.114 10 20 IICD O=C1/C(=C\c2ccc(OCCN3CCCC3)cc2)SC(=S)N1CCc1cccnc1 727864418 VSQJPCGASKFPJV-LTGZKZEYSA-N 439.606 4.000 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NC1(c2ccc(Br)cc2)CCC1 728750236 DTXKTPRBGJPVNC-UHFFFAOYSA-N 444.373 4.164 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c(C)n1-c1ccccc1 729293711 WUUJNEYFCLXLSG-SANMLTNESA-N 446.547 4.018 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C 730489286 UFWZVKKRLQXXFK-QGZVFWFLSA-N 446.638 4.050 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1F 731115308 DDGIZUHFYMLZTO-UHFFFAOYSA-N 441.528 4.187 10 20 IICD COc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1O 731542262 WPGDIMUUDLAUHR-UHFFFAOYSA-N 426.860 4.023 10 20 IICD CC(C)c1ccc(-n2cnnc2SCC(=O)NCCCSc2nccs2)cc1 733880749 NMNBXOUTNFMJJT-UHFFFAOYSA-N 433.628 4.238 10 20 IICD Cc1cc(OC(F)F)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 733922292 VJXSBRICOFNFRU-TXEJJXNPSA-N 428.476 4.341 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 736945697 RGFYVQXKNLVDEJ-UHFFFAOYSA-N 443.592 4.452 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OC 740605176 NOBYNPIUFRMFMQ-UHFFFAOYSA-N 446.550 4.331 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)CC2)cc1 740821158 FRHVUYFIIBORQC-UHFFFAOYSA-N 438.572 4.322 10 20 IICD C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C[C@@H](C)S1 742767313 HWNFRYJGYPZIFB-SICXBXQRSA-N 426.654 4.082 10 20 IICD C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801274 OTNVMOCISZYBLD-UONOGXRCSA-N 426.410 4.119 10 20 IICD COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1O[C@@H](C)C2 742804708 ARNBRHSLTLZMIM-WMLDXEAASA-N 432.467 4.019 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1)C1CCCCC1 743414737 URKRZXRWZWFARB-UHFFFAOYSA-N 449.473 4.451 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC 743871236 XYMMLZHJUHLGIA-LSDHHAIUSA-N 435.362 4.251 10 20 IICD Cc1cnc([C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)s1 745865817 AGGYBTAPMPKEPR-QAPCUYQASA-N 436.528 4.472 10 20 IICD CC(C)(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC(=O)OC(C)(C)C 746042232 JCDYZQNRJAPRBM-UHFFFAOYSA-N 439.516 4.460 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 748323603 NFPULSSRILPKFC-UHFFFAOYSA-N 441.601 4.184 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)n2)ccc1F 753978367 NFYBYYQGQWUUPW-UHFFFAOYSA-N 431.514 4.333 10 20 IICD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 754453792 MTYNTOWJRWZDCB-HUUCEWRRSA-N 430.480 4.286 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1-n1nnnc1C 757594479 NCSOCHSYAXRAQU-SECBINFHSA-N 438.713 4.274 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cncc(-c2ccc(Cl)cc2)c1 757612411 GVPJBKRRBNJFLF-UHFFFAOYSA-N 425.891 4.308 10 20 IICD C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 760036962 GLRWFRAGESUZIS-WDNCENIBSA-N 430.539 4.226 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)CC2)cc1 760494592 MLZSIVPCPPTQCK-UHFFFAOYSA-N 444.457 4.299 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ncc(Cc2cccc(Br)c2)s1 761648933 ARFDATNSUWADBC-UHFFFAOYSA-N 448.342 4.272 10 20 IICD CCCS(=O)(=O)c1ccccc1C(=O)N(CC)Cc1cc(Br)ccc1O 761752214 VBTYJSGHYJQMSW-UHFFFAOYSA-N 440.359 4.001 10 20 IICD CC(C)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 762044013 PUDCDOSFEKPQHI-HNNXBMFYSA-N 442.471 4.164 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3COc4ccc(Cl)cc43)cc2F)C[C@@H](C)O1 762061738 QWQROLXTBAENHU-PJIJBLCYSA-N 433.911 4.026 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3cccc(N4CCOC4=O)c3)cc2F)C[C@@H](C)O1 765117022 AOHCJGURVQKEQG-KSZLIROESA-N 427.520 4.247 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCc4c(F)cc(Br)cc43)cc2F)CC1 765288628 YUYCYMCWUZUFLJ-HXUWFJFHSA-N 437.328 4.466 10 20 IICD C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1 765698366 SKUCGCQYVNMWBE-IERDGZPVSA-N 427.520 4.325 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 767938810 ORBLTWKNJUXMJP-UHFFFAOYSA-N 437.874 4.299 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(NC(C)=O)ccc1Cl 768170771 QCTPTASFDZOQJF-UHFFFAOYSA-N 425.710 4.429 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3ccccc3[C@H]2C(N)=O)cc1 772688484 PDWASIOJVUYILV-QHCPKHFHSA-N 427.508 4.393 10 20 IICD O=C(c1cnc(Cc2ccccc2F)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 773475541 OAEORZOIJYTQJG-GOSISDBHSA-N 426.513 4.400 10 20 IICD Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc2)o1 774181405 VJGAIYABRGULFJ-UHFFFAOYSA-N 447.539 4.069 10 20 IICD C[C@H]1CN(c2ccc(CNC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1 778076083 NFOSPZMYNWRUEF-MEKRXLCPSA-N 447.595 4.459 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 778621388 WCHSMQQRRWGZJX-IBGZPJMESA-N 429.511 4.281 10 20 IICD Cc1cc(C(=O)N2CCC(Cn3cncn3)CC2)c(C)n1-c1ccccc1Br 779232949 FKXNHYVBOKZOQK-UHFFFAOYSA-N 442.361 4.001 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(Cl)c1 782108384 ZFBFVYCLCPPYIV-UHFFFAOYSA-N 429.948 4.323 10 20 IICD CSCc1cccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 782913439 UPNWSEYSSGGVPX-UHFFFAOYSA-N 446.484 4.163 10 20 IICD O=[N+]([O-])c1cc(CNCCCc2nc(-c3ccc(F)cc3)no2)ccc1N1CCCCC1 784622058 KEIXMIJLSPOIBX-UHFFFAOYSA-N 439.491 4.497 10 20 IICD Cc1ccc(F)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Br 787378519 PEXCORDVCYRCAQ-UHFFFAOYSA-N 435.337 4.035 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 787874707 YKMBFABOUQAJST-QFIPXVFZSA-N 425.573 4.156 10 20 IICD CC1(C)CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 790144255 NAJPAWDRMMDVQM-FYWRMAATSA-N 440.681 4.474 10 20 IICD CN1C(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)c2cc(Br)cnc21 794881655 XPFALNKUVYQLRO-OMCISZLKSA-N 429.705 4.259 10 20 IICD Cc1cc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1Br 796274853 CNGKUVKMJMQOKM-GOEBONIOSA-N 436.419 4.372 10 20 IICD Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1-c1ccc(Br)cc1 799249433 CPCHSMJCKCRMSM-UHFFFAOYSA-N 445.317 4.125 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)cc2Cl)C1 799953681 WHNWQYZPJKPESK-FXAWDEMLSA-N 447.023 4.167 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4cnn(C)c4)nn3)cc2Cl)C1 800565603 PWISBJBJDPPIIE-OAHLLOKOSA-N 439.951 4.089 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)c1ccc(N(C)C)cc1 806986107 GQHFULYFAPIGES-SNVBAGLBSA-N 442.716 4.124 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1)c1ccc(N(C)C)cc1 807670345 DJCYVODZUJKCIV-INIZCTEOSA-N 429.511 4.179 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[C@H]1OCCc2sccc21 814679963 UMWNCMTVMMJRRN-KPDCDPCYSA-N 428.598 4.272 10 20 IICD COc1ccc2c(C)c(CCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(=O)oc2c1 914439589 JVSJHLGVYJFBQN-UHFFFAOYSA-N 434.536 4.300 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 914499482 MBPUVQOZOWCALF-UHFFFAOYSA-N 438.440 4.313 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)OCc3nnc(-c4ccc(Br)o4)o3)sc2n1 916525628 MFZPHCROZDBRNO-UHFFFAOYSA-N 449.286 4.258 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 916624806 RLICTACJTBYFAM-IBGZPJMESA-N 436.581 4.470 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 918675407 CZFWPVRGAYEAJS-OAQYLSRUSA-N 425.916 4.262 10 20 IICD O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(N2CCOCC2)cc1 919767025 KHIXKAIGIJWAQN-UHFFFAOYSA-N 444.622 4.087 10 20 IICD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)ccc1F 1842209514 GCSTVRCGGPYFGL-UHFFFAOYSA-N 446.526 4.067 10 20 IICD CCOC(=O)c1sc2nc(CSc3ncc(-c4ccccc4)n3C)nc(N)c2c1C 10535253 CVONLZGJMQXFCZ-UHFFFAOYSA-N 439.566 4.451 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1 116582440 UQDJBCTXCSPJTP-FQEVSTJZSA-N 438.959 4.413 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 727091129 GRYHIFQBKYWZLG-QGZVFWFLSA-N 447.501 4.001 10 20 IICD C[C@H](CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 727476269 SGQYYPCSQVPOOS-QGZVFWFLSA-N 435.490 4.487 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(OC)cc3)cc2F)CC1 730134840 NANCRPVMZLGWCI-HSZRJFAPSA-N 440.563 4.023 10 20 IICD O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 731855749 AJGCAHZVCMUJLT-JXFKEZNVSA-N 446.956 4.056 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 733664303 XHZXMLNMECPWAD-UHFFFAOYSA-N 427.460 4.330 10 20 IICD CN(CCCNC(=S)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccccc1 733752692 ZPMXEWNIQQUBEF-UHFFFAOYSA-N 445.592 4.097 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCc1cccnc1 735415479 MMIUFJYAZDNVJS-UHFFFAOYSA-N 431.359 4.136 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)CC1 740915766 SQLBRRVIJCGUPT-KNQAVFIVSA-N 444.620 4.368 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc2ccc(F)cc12 742797775 GGOWVDXTUQGZFR-CQSZACIVSA-N 431.414 4.080 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cn1 743045774 YHTQUHOSJSTIJO-UHFFFAOYSA-N 448.476 4.083 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2F)C[C@H](C)O1 743102002 IQVTXAYJMIEDGR-HOTGVXAUSA-N 427.520 4.345 10 20 IICD COc1ccccc1N1C(=O)/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC1=S 743278994 CXDFWJQWLHDGKA-FRKPEAEDSA-N 437.445 4.431 10 20 IICD O=C(NCCc1cccc2cccnc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743546243 KLKNARCJIIZSET-LJQANCHMSA-N 440.494 4.347 10 20 IICD C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2ccc(Cl)cc2)no1 743706751 OOLDKKINXJFMTJ-CQSZACIVSA-N 425.920 4.333 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 743958015 HHADOOZZMYFJLY-UHFFFAOYSA-N 442.384 4.180 10 20 IICD Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 745691841 OZRUHQBHAGDWTR-VWNXMTODSA-N 434.584 4.134 10 20 IICD O=C(Nc1cnn(Cc2ccccc2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903551 KVRRSGQMSWNVRY-SFHVURJKSA-N 441.482 4.323 10 20 IICD CCCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccccc1OC 746215047 CWBVAXGZXRFTII-GOSISDBHSA-N 429.536 4.354 10 20 IICD COCCN(CCOC)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 747451421 PEHCYPJNUQVMLH-UHFFFAOYSA-N 431.916 4.222 10 20 IICD CC(C)[C@H](NC1CCOCC1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 748470015 NSSMBWVZGZUGDG-QHCPKHFHSA-N 438.528 4.377 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 749731444 PMICMMVJBWNMON-UHFFFAOYSA-N 433.505 4.325 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)cc3)CC2)cc1F 753740583 SHVBJZBDTFVEJP-UHFFFAOYSA-N 436.458 4.167 10 20 IICD COCCOc1cc(C)ccc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 756108719 YSKDXRNGWMNJJP-UHFFFAOYSA-N 425.573 4.352 10 20 IICD C[C@H]1CCN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2S1 756334870 DHUXLHGDOOMUON-AZUAARDMSA-N 426.582 4.291 10 20 IICD COc1ccc(CNC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1OC 757286477 POBWWAXHOXGEIO-LJQANCHMSA-N 434.536 4.289 10 20 IICD C[C@@H]1CN(c2ccc(CNC3CCN(c4ccc(N(C)C)cc4)CC3)cc2F)C[C@@H](C)O1 765128322 UGLFOKSCVKGSMC-WOJBJXKFSA-N 440.607 4.264 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)NCc2cccc(Br)c2O)c1 765767269 ZHPXJJPWOWKBAB-UHFFFAOYSA-N 433.346 4.347 10 20 IICD C[C@@H](NCCCSc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 766070308 BYDAMVSTIAENAG-MRXNPFEDSA-N 425.645 4.151 10 20 IICD Cc1ccc(-n2cc(C)cn2)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 772456114 CAJXMVDGFMQRRR-UHFFFAOYSA-N 433.556 4.020 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775144639 WQAAHIANMGMFSV-QNWVGRARSA-N 449.599 4.044 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 775256119 VRYOMPXCPWQYPH-OAQYLSRUSA-N 445.563 4.392 10 20 IICD CC[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1O 775496020 DJIIMKYXYHWYSK-INIZCTEOSA-N 432.767 4.323 10 20 IICD Cc1cc(Br)cc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)c1O 776209573 OORITCUKTDOZRD-UHFFFAOYSA-N 440.341 4.425 10 20 IICD CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 777272282 VCQPIIMFSNZNEO-TZIWHRDSSA-N 430.593 4.075 10 20 IICD COc1cc([C@@H](NCc2cc(F)cc(C(C)=O)c2O)C(F)(F)F)cc(OC)c1OC 778992341 IWLDOHNKKWAKPM-LJQANCHMSA-N 431.382 4.153 10 20 IICD Cc1cc(C(=O)N[C@@H](CCO)c2ccccc2Br)c(C)n1-c1ccccn1 782057704 MQTUTDLJHXELFI-IBGZPJMESA-N 428.330 4.105 10 20 IICD CCOc1ccc(OC)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783486984 RYXFUBWESXWNPC-QGZVFWFLSA-N 433.508 4.409 10 20 IICD CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1 784508438 BLLABKFFXQFITC-UHFFFAOYSA-N 446.463 4.305 10 20 IICD CO[C@@H]1CCOc2c(NC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cccc21 790578099 WYKOPQADUVHSJA-PONJGIIJSA-N 443.519 4.231 10 20 IICD Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c(C)c1[N+](=O)[O-] 790638561 DZPBUMUWQMOZTQ-UHFFFAOYSA-N 440.484 4.106 10 20 IICD CCc1c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cnn1C(CC)CC 792205332 MQPNCVMUAGWPAP-UHFFFAOYSA-N 438.528 4.273 10 20 IICD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NCc3ccc(OC)cc3O)s2)cc1 792938426 GZPBEIVSHSVIQM-CQSZACIVSA-N 427.526 4.402 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c(O)c1 797387784 PGAYPNCZZLPQCE-QGZVFWFLSA-N 434.492 4.104 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3OCCC(N)=O)cc2Cl)C1 800527261 YWZOYKROIGSDIM-INIZCTEOSA-N 444.963 4.152 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc2c1OCO2 800833075 SXUIVUUUDRWFLJ-UHFFFAOYSA-N 426.475 4.198 10 20 IICD CC[C@]1(c2ccc(Cl)cc2)NC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 804148746 PUNPUPSANZUTLN-QMHKHESXSA-N 427.932 4.095 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC=C(c2ccncc2)C1 806685024 NKQGYLPCOGJBHD-UHFFFAOYSA-N 428.483 4.151 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)cc2)CC1 806747625 ZQAXWNAHWQAVEJ-UHFFFAOYSA-N 438.503 4.037 10 20 IICD COc1cc(CNCc2ccc(N3CCSCC3)cc2)cc(OC)c1OCC(F)F 808379587 RLZIKMWIWMIZIR-UHFFFAOYSA-N 438.540 4.191 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)CCc2ccccc2Br)ccc1O 812271859 VRYYGHRSLOAJFS-UHFFFAOYSA-N 428.348 4.064 10 20 IICD COc1cc(Br)cc(CNC[C@H](c2ccc(SC)cc2)N(C)C)c1O 815166215 BPIVARQWAOVSSB-QGZVFWFLSA-N 425.392 4.278 10 20 IICD O[C@H](COc1ccccc1F)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 836232435 ANVQDKXQDZPPNH-RTBURBONSA-N 428.529 4.400 10 20 IICD COc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC(C)C 916393554 PZTZQMQWHWZPRY-HXUWFJFHSA-N 428.529 4.079 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cc21 917846612 XIOBBKXLSXZXRC-UHFFFAOYSA-N 426.519 4.160 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCSc2ccc(F)cc21 918200559 UZZICECYPOYIQH-NRFANRHFSA-N 429.561 4.071 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c(C)n1-c1ccc(Cl)cc1 918593613 NZEICZRKSKPAOL-UHFFFAOYSA-N 436.899 4.398 10 20 IICD CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2N=Nc2ccc(O)cc2)o1 918951363 DGDOAFYUVQJUDT-UHFFFAOYSA-N 429.454 4.008 10 20 IICD CC(C)c1c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cnc2ncnn12 919273690 ZEYNBGOXTBPNOZ-UHFFFAOYSA-N 443.467 4.459 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 919847274 JNEMEPUXUBYDSC-UHFFFAOYSA-N 446.532 4.179 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1cccc(Cl)c1 919977787 DSDVQYQIOLDOKS-UHFFFAOYSA-N 425.916 4.375 10 20 IICD C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(F)cc1OC(F)F 1326396667 LFHYYYOXWKZJRH-VIFPVBQESA-N 433.224 4.456 10 20 IICD Cc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1792181672 IHXPOHPISHXBFD-UHFFFAOYSA-N 435.455 4.002 10 20 IICD C/C=C/C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811273898 SRJLZXUTATYTCT-OAECKPJCSA-N 442.563 4.385 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 105206833 GATATQLLXVJRET-UHFFFAOYSA-N 443.956 4.345 10 20 IICD COc1ccc([C@@H](O)CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 725884052 MHDPALZSUFHNIC-NRFANRHFSA-N 443.341 4.329 10 20 IICD O=C(CSc1ccc(F)c(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565116 AZSHTBVRYQQGFH-UHFFFAOYSA-N 428.451 4.444 10 20 IICD CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726721834 JQKAINCSACNJRU-UHFFFAOYSA-N 447.482 4.217 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)ccc21 727249801 AZLGJRPKXNHSOF-UHFFFAOYSA-N 431.514 4.049 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 732256594 IHGFPIYDTPOEBY-KRWDZBQOSA-N 449.517 4.345 10 20 IICD O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)NCc1ccc(N2CC=CC2)cc1 740919649 FRRCORFLHDDQKA-UHFFFAOYSA-N 444.510 4.454 10 20 IICD CCCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 741069465 ULCTUZJGQXTBNU-UHFFFAOYSA-N 443.525 4.371 10 20 IICD COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 741274383 JKRNRVWSPBACAZ-UHFFFAOYSA-N 430.508 4.258 10 20 IICD O=C(Nc1cnn(-c2ccccc2Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 741400452 HWEGHKGESSNABH-SFHVURJKSA-N 426.904 4.444 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)CC2)cc1 741552403 DDKPOPPBLFAMAO-UHFFFAOYSA-N 437.584 4.212 10 20 IICD NC(=O)c1ccc(NC(=S)NNc2c(Cl)cc(Br)cc2Cl)cc1 741870656 YWLKASWZQWTRSE-UHFFFAOYSA-N 434.146 4.168 10 20 IICD Cc1nc(-c2ccc(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nc2)nc(O)c1C 742394193 KYURDTFGKZCYAT-HUUCEWRRSA-N 437.519 4.226 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(c4ncnc5sccc45)C3)cc2)CC1 742648727 AFNHDZLYZJEFSO-HXUWFJFHSA-N 449.624 4.460 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cs1 743046449 INRQUOAOUYNYBE-UHFFFAOYSA-N 448.469 4.478 10 20 IICD CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2s1 743955450 JSAYGKKZAHNQLC-UHFFFAOYSA-N 437.565 4.433 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 745434934 GVWPZVLKNUKOOU-LJQANCHMSA-N 442.523 4.446 10 20 IICD COc1ccccc1[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 745902877 ADTDSVXSYRYDCC-MSOLQXFVSA-N 445.510 4.465 10 20 IICD C[C@@H](NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 747983606 HVHADUHXZNGRGO-NTKDMRAZSA-N 441.547 4.114 10 20 IICD O=C(Cc1c[nH]c2cc(F)ccc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 751090248 FQZNWVOCAVGDJQ-UHFFFAOYSA-N 435.421 4.021 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 753747676 VLGIUYGGNWAVSA-UHFFFAOYSA-N 441.547 4.059 10 20 IICD CC(C)CNC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O 756321293 UIZPMDUYWQMHGH-UHFFFAOYSA-N 435.524 4.012 10 20 IICD C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc(Cl)ccc1O 756606847 CLSHNCPKAKLILK-CQSZACIVSA-N 429.007 4.175 10 20 IICD C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 758543747 IQEQYPQVNOXCKQ-PLMTUMEDSA-N 430.499 4.445 10 20 IICD Cc1cc(Br)cn2cc(CNC(=O)NCc3ccc(N4CCCC4)cc3)nc12 759222119 XWVMRCICAHXOIV-UHFFFAOYSA-N 442.361 4.005 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4c([nH]c5ccccc45)C3)cc2F)C[C@@H](C)O1 759285175 DOLJFRYNZKRFMN-IAGOWNOFSA-N 436.531 4.189 10 20 IICD CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc21 760306067 ZUFPVGXKUITZNK-UHFFFAOYSA-N 435.477 4.119 10 20 IICD C[C@H]1CN(Cc2cccc(CN[C@H](C)c3ccc(N4CCOCC4)cc3Cl)c2)CCO1 765326825 WHIWCHGIKDXEHZ-VQTJNVASSA-N 444.019 4.248 10 20 IICD C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1 765698368 SKUCGCQYVNMWBE-KKSFZXQISA-N 427.520 4.325 10 20 IICD C[C@H](NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 766599548 JVECWCQZLWZWJT-ACRUOGEOSA-N 425.592 4.470 10 20 IICD Cc1oc2ccccc2c1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 767054990 RHUNCOOGRIERDR-UHFFFAOYSA-N 432.442 4.456 10 20 IICD O=C(NC[C@H]1CCCN(Cc2cccc(Br)c2O)C1)Nc1cccc(F)c1 769202398 JPVOICPLVPHJON-CQSZACIVSA-N 436.325 4.328 10 20 IICD CCN(Cc1ccc(C)cc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769673603 QEHRWPDYVJKHPK-UHFFFAOYSA-N 430.551 4.225 10 20 IICD O=C(NC1CCOCC1)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 775205618 OCJCDLWTCWKXFS-UHFFFAOYSA-N 438.528 4.106 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@@H]2SCCS[C@@H]21 776257654 ZWLQZASFIYRDMB-MBNYWOFBSA-N 439.238 4.386 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 780834096 UIBOYIGTCAIBEY-XMMPIXPASA-N 447.583 4.147 10 20 IICD CCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1OCCC 781045109 DVWLUSXOCFKQBG-UHFFFAOYSA-N 439.556 4.185 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 782572852 HVEOGGPHIVEZBW-UHFFFAOYSA-N 426.517 4.208 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 782711619 NNIOUMRNFOCGGM-KDURUIRLSA-N 425.577 4.204 10 20 IICD Cc1cc(C(=O)CSCCSC(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 783555796 UQPZWYOHYVXMJD-UHFFFAOYSA-N 440.656 4.189 10 20 IICD O=C(Oc1ccccc1)N1CCC[C@H](NCc2ccc(N3CCSCC3)cc2)CC1 788543043 RRQOBMMVEBQIHK-NRFANRHFSA-N 425.598 4.383 10 20 IICD COc1cccc(Cl)c1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 790283015 CAMSKNCKTIFUAZ-UHFFFAOYSA-N 439.890 4.418 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 797616234 UGDAIGXZLBHKRU-LBPRGKRZSA-N 430.398 4.268 10 20 IICD CCCCN(Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)Cc1ccccc1O 801595456 CPFPHIJRCNSCTK-UHFFFAOYSA-N 426.542 4.307 10 20 IICD O=[N+]([O-])c1cc2c(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ncnc2s1 804356405 HTWLNUXAKVNIQH-UHFFFAOYSA-N 439.419 4.067 10 20 IICD CC[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc(Cl)cc(Cl)c1O 806143893 NDJGNVFKQKZAJX-SFHVURJKSA-N 430.420 4.366 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(C)c3-c3ccccc3)cc2F)C[C@H](C)O1 806777725 NWHUUDPJDZQGIW-IRXDYDNUSA-N 437.519 4.162 10 20 IICD CCc1sc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Br 815654927 DEKJBJFXLYUFMT-UHFFFAOYSA-N 437.403 4.212 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-c3nc[nH]n3)cc2)cc1 857449363 AMXFBHTXOBBFMD-UHFFFAOYSA-N 427.508 4.393 10 20 IICD Cc1cc(C(=O)O[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)c(C)n1-c1ccccn1 914904179 WWXMDRUDQRVPAN-QPPBQGQZSA-N 447.535 4.311 10 20 IICD CCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OCC 919766736 NMJULJUJYYENNB-UHFFFAOYSA-N 432.948 4.294 10 20 IICD CC(C)(C)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nn1 1318681493 LEAWVHIZLQOVHR-WYMLVPIESA-N 446.623 4.456 10 20 IICD O=C([C@@H]1CC=CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738329 PUQYGOYDCGJXME-XLIONFOSSA-N 446.975 4.341 10 20 IICD COc1cc2c(cc1NCC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)oc1ccccc12 11619346 PNLGGHBUMZWVKY-UHFFFAOYSA-N 447.447 4.126 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N(c3cccc(C(=O)O)c3)C1=O)O[C@@H](C)C2 13066651 GGWLPOOVPKVGAM-TZQXVGBESA-N 427.503 4.123 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)c2C)cc1 18523847 ZYNXUOFRMQSZJH-HNNXBMFYSA-N 427.888 4.335 10 20 IICD CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 23199768 RNURRQGLXRQORG-INIZCTEOSA-N 437.471 4.376 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 109559646 PWNGTCBDVRMLNY-NHCUHLMSSA-N 429.358 4.300 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(COc2ccccc2C#N)c1 303600711 VADGPTNNRRAUTQ-UHFFFAOYSA-N 441.531 4.246 10 20 IICD Cc1c(CNC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)n(C)c2ccccc12 471657484 HVXSYXVVGJJCIL-UHFFFAOYSA-N 427.508 4.133 10 20 IICD COc1ccc(N(CC(=O)NC2CCN(Cc3ccccc3C)CC2)C(C)C)cc1F 725816571 YIUIFGIHOJFBOR-UHFFFAOYSA-N 427.564 4.138 10 20 IICD COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O 727176159 HBQXDZPMYKMOGC-DHDCSXOGSA-N 443.432 4.247 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 728469795 DYMYNNNZVBAYJB-FQEVSTJZSA-N 437.584 4.276 10 20 IICD Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 731617995 PFGRUFWTPCOLIX-IBGZPJMESA-N 448.519 4.307 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](OC)c3ccc(Cl)cc3)CC2)cc1 736403283 RTAMIPIVCPZKRT-VGSWGCGISA-N 431.964 4.347 10 20 IICD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 741213350 YNMRWUSGBKKEAO-IBGZPJMESA-N 433.390 4.369 10 20 IICD CCOc1cccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742751115 RPNAKTLIPKHQHE-NRFANRHFSA-N 427.545 4.147 10 20 IICD COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cn1 743045883 CVDOASSRNBKNAU-UHFFFAOYSA-N 440.550 4.422 10 20 IICD CC(C)Cc1nnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 743069483 DWIXQNDFAXPRTE-CYBMUJFWSA-N 425.505 4.129 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1ccc(F)c(F)c1 745809428 SFHQQNOQVISTKS-UHFFFAOYSA-N 429.261 4.043 10 20 IICD O=C(Cc1csc(-c2cccc(F)c2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 752152065 UKUKGUKHNZIZLD-FQEVSTJZSA-N 426.513 4.405 10 20 IICD Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccn2)c(C)n1-c1cccc(Br)c1 752628119 IHHWYZNKGJBRDU-UHFFFAOYSA-N 441.329 4.206 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3cc4c(ccc5ccccc54)o3)cc2)C1 753107690 KVUVTZCMNAYDCP-FQEVSTJZSA-N 441.531 4.147 10 20 IICD Cc1cc(C(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Br)cc1 756016153 WJXRMHVJUXLRFD-UHFFFAOYSA-N 428.334 4.021 10 20 IICD Cc1ccn(-c2ccccc2NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 759501110 RBKSVEQXRQYYAC-UHFFFAOYSA-N 445.567 4.205 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1 761974810 XZWHOYOABFWEFJ-FOIQADDNSA-N 442.581 4.091 10 20 IICD Cn1cc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ccc(Cl)cc21 762372458 GSWARLHQRYIEJV-UHFFFAOYSA-N 432.307 4.198 10 20 IICD C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 762984637 PEJMBQUDVAUMNR-MRXNPFEDSA-N 441.622 4.302 10 20 IICD C[C@@H](NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(N2CCOCC2)c(F)c1 764874345 DKPHOKHZCQYHCO-OAHLLOKOSA-N 426.458 4.229 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CSc1nccn1C(C)(C)C 769291900 OVKBFERGAQZTSR-UHFFFAOYSA-N 426.380 4.247 10 20 IICD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1cccc(OC)c1O 769508015 MAFDNTROPIQQDS-UHFFFAOYSA-N 427.478 4.003 10 20 IICD C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 769737383 BCELMNVMGDTZOO-OAHLLOKOSA-N 430.551 4.229 10 20 IICD CC(C)COc1ccc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 772906404 NOMBPXMWPLGAFH-UHFFFAOYSA-N 449.954 4.079 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)ccc2Br)c1 773408588 RQHXDOMLYCCBIX-SECBINFHSA-N 429.108 4.417 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc(N(C)C)cc1 773615384 WVCPHBQMYQLTSQ-FXAWDEMLSA-N 434.540 4.164 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773846270 JFIPZPUNFSYIGT-LJQANCHMSA-N 431.536 4.456 10 20 IICD Oc1c(Br)cccc1CNCc1cc(Br)c2c(c1)OCCCO2 775146948 SFGBSNYNHRXHCG-UHFFFAOYSA-N 443.135 4.368 10 20 IICD O=C(NCCCCc1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 790849067 FDKVCDIPEAQCNY-UHFFFAOYSA-N 439.984 4.324 10 20 IICD CC1CCN(c2ccc(CN[C@@H]3CCOC[C@H]3[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 796762301 OPJBHGAJYUGGGD-AJSBUHFISA-N 431.621 4.331 10 20 IICD O=C(OCc1cnc2ccccc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 798658933 BVACGFVMWBQEEZ-UHFFFAOYSA-N 440.502 4.160 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 802610837 UNCOVIIOGRCSPH-UHFFFAOYSA-N 440.540 4.423 10 20 IICD C[C@H](NC(=O)NCCn1ccc2cc(Cl)ccc21)c1ccc(N2CCOCC2)cc1 804989695 OZRJMFJULZKXMK-KRWDZBQOSA-N 426.948 4.192 10 20 IICD COc1ccc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2c1 806844398 OVCAEXPKXHPTHC-UHFFFAOYSA-N 430.460 4.315 10 20 IICD CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2NC1=O 806893802 FDBWPPUWGIWHIN-MGPLVRAMSA-N 438.311 4.369 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 810400550 KXGXXCHEAGCGBS-AWEZNQCLSA-N 440.883 4.229 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccn4)n3Cc3ccccc3)CC2)cc1 812050099 SJWWVHQQBZWCFF-UHFFFAOYSA-N 440.551 4.114 10 20 IICD Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812393994 MOUWNYQRTMWTSO-QUCCMNQESA-N 437.613 4.331 10 20 IICD O=C(COC(=O)Cn1cnc2sccc2c1=O)Nc1ccc(N=Nc2ccccc2)cc1 819072281 CRXGCCCWEQIZIY-UHFFFAOYSA-N 447.476 4.055 10 20 IICD COc1ccc(CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F 857758891 URTVNPIUGNJCEY-LJQANCHMSA-N 427.564 4.304 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(OC)cc(C(C)(C)C)c1O 915802069 IKWUPVSFDLVIGE-UHFFFAOYSA-N 427.545 4.117 10 20 IICD O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 916699504 IQSXWPBTQCEGLT-HNNXBMFYSA-N 437.399 4.115 10 20 IICD CN(C)c1ccc(CN(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C2CC2)cc1 918083030 JLVGHKWFQNDXEK-UHFFFAOYSA-N 442.554 4.369 10 20 IICD C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 920882523 TWWDETMMGGLURO-SFHVURJKSA-N 437.565 4.289 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1)c1cc(O)nc(O)c1 1788425449 QMGLPTRVFYDTBX-QGZVFWFLSA-N 445.466 4.066 10 20 IICD CCOCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1816884251 WZKRPBPZZUOEHB-QFIPXVFZSA-N 449.555 4.160 10 20 IICD c1ccc(Cn2nnnc2CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 11646211 RQMISQXQQAXAFF-HXUWFJFHSA-N 432.553 4.056 10 20 IICD COc1ccc(Nc2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)s2)cc1 18479315 MAKMXHARGIGTPM-UHFFFAOYSA-N 443.598 4.107 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 40888210 DXILOCWHFQAJSN-RGEXLXHISA-N 427.547 4.420 10 20 IICD Cn1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c(-c2ccc([N+](=O)[O-])cc2)n1 513275721 JECCKYVESIPFJK-GXDHUFHOSA-N 433.855 4.303 10 20 IICD Fc1cc(CNC(=S)NCCc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 726468145 BPQVJIOFVFMGIO-UHFFFAOYSA-N 442.387 4.176 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCO4)SC2=S)c1 726625749 NQDIYYWLSFFVDY-FRKPEAEDSA-N 435.910 4.492 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(Cl)sc3Cl)n2)c[nH]1 727248001 ZANLBRFGFIRMPJ-UHFFFAOYSA-N 438.339 4.094 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(C(F)(F)F)ccc1F 728121738 NRMQTEPCACOIFJ-UHFFFAOYSA-N 429.389 4.266 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)c1 728522687 MTFRFZDGNRFPHO-UHFFFAOYSA-N 439.600 4.186 10 20 IICD CC(=O)N(C)C1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 728917053 XMTVQCUHOBVEIH-QGZVFWFLSA-N 447.526 4.209 10 20 IICD CC1CCN(c2ccc(CNC(=O)Cc3csc(NC(=O)c4ccco4)n3)cc2)CC1 731016009 BTBJECTXFLSRAE-UHFFFAOYSA-N 438.553 4.084 10 20 IICD COC(=O)COc1cccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 734523509 LFJSYNJUJJPKFQ-UHFFFAOYSA-N 439.556 4.007 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(OC4CCOCC4)c(C)c3)CC2)cc1 738958753 DRHOKGKZVFEZPK-UHFFFAOYSA-N 439.556 4.306 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c1 741096199 TXBVQCBMGUGZLI-HNNXBMFYSA-N 428.554 4.393 10 20 IICD COc1ccc(OCc2nc(CN(C)c3cc(OC)c(OC)c(OC)c3)cs2)cc1 741805465 IPFKHDPHKBXVAH-UHFFFAOYSA-N 430.526 4.393 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1C[C@H]1c1c(F)cccc1F 743616010 LMDYUOWWXHAXLD-VVFCZOMOSA-N 437.437 4.390 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Oc1ccccc1F 743678404 LRXDRZSHGJBXEO-OAHLLOKOSA-N 437.462 4.163 10 20 IICD CCN(CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cc(Br)ccc1O 743873614 ORXWXGZMCLQVED-JOCHJYFZSA-N 447.373 4.253 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCN(C2CCCCC2)CC1 747591375 AAYUCOBGZJXFAK-UHFFFAOYSA-N 438.410 4.483 10 20 IICD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 747855752 AMYYVHFAYISOHA-UHFFFAOYSA-N 440.344 4.085 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2ccc(Cl)c(Cl)c2)CC1 749010990 UNZRQBMWMCISEE-UHFFFAOYSA-N 438.330 4.458 10 20 IICD CSc1ccncc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 750116806 RGDLSWOYAPCROZ-XNTDXEJSSA-N 435.621 4.485 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(N)cn2)c(C)n1-c1ccc(OC(F)F)cc1 753887563 KQUVQJARJDJWOV-AWEZNQCLSA-N 429.423 4.101 10 20 IICD COc1ccccc1CC(=O)N1CCC(N[C@@H](C)c2cc(Br)ccc2O)CC1 756509843 FSSFHPGZDXVPSP-HNNXBMFYSA-N 447.373 4.048 10 20 IICD COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(Br)cc(Br)c1O 756710707 FSLGABBPIHSVPW-MEBBXXQBSA-N 445.151 4.310 10 20 IICD COC(=O)c1cc(NC(=O)NCCCSc2nccs2)c(Br)cc1F 758612491 PZUCVYVNYWECTJ-UHFFFAOYSA-N 448.339 4.135 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cn(-c2ccccc2)nn1 761521746 OSJHVWGFSPEKTF-KRWDZBQOSA-N 439.479 4.499 10 20 IICD C[C@H]1CCCCN1CCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 764353793 KZMYSMYHYLOEFL-NRFANRHFSA-N 444.689 4.426 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(OCCN(C)C)cc3)cc2F)C[C@@H](C)O1 765117485 GDFZFHOOTYXKPT-VAMGGRTRSA-N 429.580 4.231 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1OCCC(C)C 765928381 YPEXYXGYFZGEHK-UHFFFAOYSA-N 449.345 4.143 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 767475956 VCTXSTONNUXKHK-JTQLQIEISA-N 436.288 4.054 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)cc(Br)c1F 767478248 PMLOIDLHHWKNPA-UHFFFAOYSA-N 441.728 4.350 10 20 IICD O=C(Nc1ccc2ncccc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769700767 BPOPSDLNNYDGKS-UHFFFAOYSA-N 425.491 4.055 10 20 IICD O=C(Nc1cccnc1Br)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770276362 UTSJGKACWZXSDC-GFCCVEGCSA-N 441.276 4.236 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)cc1 771824690 ORPSZUIZLHUMCB-UHFFFAOYSA-N 429.524 4.117 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1)c1ccc(N(C)C)cc1 773854698 WTVUORDWVWQLAJ-GOSISDBHSA-N 447.583 4.111 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)cc(OC)c1OC 776085322 KLDSVFLYJHAWEU-UHFFFAOYSA-N 425.485 4.121 10 20 IICD COCCOc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783483223 PIOAZSKQZJAXDL-SFHVURJKSA-N 433.508 4.027 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784109425 ROBDSTMLYUTTCI-UHFFFAOYSA-N 431.540 4.233 10 20 IICD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2O1 785994092 LSVXTJFUCJZWTR-XMMPIXPASA-N 425.529 4.026 10 20 IICD CCc1c(NC(=O)NCc2cccc(OC)c2O)cnn1-c1cccc(C(F)(F)F)c1 792485215 AAHUANLEQSGVPY-UHFFFAOYSA-N 434.418 4.489 10 20 IICD Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c(C)n1-c1ccccn1 801591871 XTOQYNZMDZAXKB-UHFFFAOYSA-N 428.895 4.371 10 20 IICD CCOC[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)C1 802368338 QMOUTDQIEOUFNR-OAQYLSRUSA-N 437.588 4.252 10 20 IICD CN(C(=O)NCCCSc1nccs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806958788 MVXXNXYJHCQPPJ-CABCVRRESA-N 432.398 4.232 10 20 IICD C[C@H](Cc1ccc(F)cc1Br)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 808380929 IUENLFNXTGWOQK-QAPCUYQASA-N 448.380 4.011 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 808776127 QDPXHJMCIKVPKY-MRXNPFEDSA-N 436.474 4.460 10 20 IICD Cc1cc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1 812432749 FUKHNFCBWTVTPC-HSZRJFAPSA-N 449.599 4.130 10 20 IICD Cc1cc(C2CC2)nc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 813252948 BWRQXMHHGXSMEW-WJDWOHSUSA-N 444.607 4.344 10 20 IICD CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCO2 814108900 ZKVWELHYTTZUFP-UHFFFAOYSA-N 432.467 4.080 10 20 IICD CC(C)Cn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C(F)F)n1 857473062 SMTDXBHAJIBMAE-INIZCTEOSA-N 440.922 4.230 10 20 IICD Cc1nc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)sc1SCC(N)=O 915068253 ASTLJQKVZPFCOD-UHFFFAOYSA-N 449.001 4.271 10 20 IICD O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 916194320 TXVSDICQSRWLHL-GOSISDBHSA-N 446.931 4.098 10 20 IICD CCCC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 916514133 YXHQEZBYUUUVAL-OAQYLSRUSA-N 425.529 4.022 10 20 IICD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 917924054 FQMKQPAUKCOJCL-UHFFFAOYSA-N 434.455 4.044 10 20 IICD C[C@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)cc(Cl)c1O 1323829367 JORMYTPJEFQPJS-AWEZNQCLSA-N 438.797 4.411 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1 1326858750 RBSWDOAVWWUVGL-UHFFFAOYSA-N 440.862 4.195 10 20 IICD CS[C@@H]1CC[C@@H](N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1329772234 GUWHLCCJKWSJMS-JLSVBUMTSA-N 440.681 4.472 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cn2C)cc1 1797205193 POVLGLCIESSHLH-UADZTWIMSA-N 448.542 4.137 10 20 IICD CN(C)c1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 18061292 HAPWFVZBSUEWIK-UHFFFAOYSA-N 433.537 4.109 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)CC2)cc1 110422026 QNECWROEKGQYOV-OAQYLSRUSA-N 429.586 4.116 10 20 IICD Cc1cc(Cl)ccc1OCCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 726240463 JADSSAQVYVFRFO-SFHVURJKSA-N 431.964 4.314 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 727170034 DFCHFFWFJFHMKD-UHFFFAOYSA-N 430.570 4.009 10 20 IICD O=C1/C(=C/c2cc(Br)c3c(c2)OCO3)SC(=S)N1CCc1cccnc1 727864388 VCPNYSNMWZCWEL-NVNXTCNLSA-N 449.351 4.017 10 20 IICD CC(C)n1c(N(C)C)nn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1=S 728904800 UZYKUUYRWLZGCG-UHFFFAOYSA-N 430.544 4.149 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1F 731409255 ODYQIZNEHFCCOO-UHFFFAOYSA-N 438.503 4.199 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1Cl 732919196 VLUNJTGSULGJCF-KRWDZBQOSA-N 425.939 4.447 10 20 IICD CC1CCN(c2ccc(NC(=O)CCC(=O)NCCCSc3nccs3)cc2)CC1 733974641 GSERWEJQKGFDMP-UHFFFAOYSA-N 446.642 4.397 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 734406264 UJLZZNCABCUWMG-UHFFFAOYSA-N 434.989 4.117 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 735859413 GWEAWUSEXNTNFT-UHFFFAOYSA-N 431.558 4.011 10 20 IICD C[C@@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)c1cccc(F)c1 746200524 LOPDFOOUDAOWME-HNNXBMFYSA-N 434.458 4.421 10 20 IICD COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)c1ccccc1 746215660 KMSJJBZGYQZCGG-UFYCRDLUSA-N 443.563 4.359 10 20 IICD Cc1csc([C@@](O)(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C(F)(F)F)n1 746834459 MRHIOSHVZPXDJT-IBGZPJMESA-N 429.508 4.095 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCN1Cc1ccc(F)cc1 747378143 DKYKJGFIQKVMLJ-JOCHJYFZSA-N 447.501 4.177 10 20 IICD Cc1ccc(C[C@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)cc1 747855576 AGQUFNXLAJRGAH-JOCHJYFZSA-N 425.548 4.135 10 20 IICD CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl 748961234 SXLUIOLBXCMEII-PXNSSMCTSA-N 431.964 4.394 10 20 IICD CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)n1 754547569 FSTYAWFSCNECMX-UHFFFAOYSA-N 431.517 4.162 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 758419274 UVTZXNQWDOWZTO-QIQQCEGHSA-N 442.562 4.099 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc(-c2cccs2)c1 765903747 KGPDNYGPMJRJPB-UHFFFAOYSA-N 431.311 4.138 10 20 IICD CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769919037 CQKFFJCEZQAGQL-SFHVURJKSA-N 444.578 4.348 10 20 IICD CCc1nc(CN2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)no1 772688941 RVEHOFPOGVYJBL-UHFFFAOYSA-N 447.543 4.071 10 20 IICD C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(N(C)C)cc1 773083676 HFHQNZNLFZMTIH-INIZCTEOSA-N 441.528 4.184 10 20 IICD C[C@H](NCC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc(N2CCOCC2)cc1 775253650 AMHABNCTAZWENZ-DFBJGRDBSA-N 435.593 4.141 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 775628685 SPKROODRYGSMKS-RBUKOAKNSA-N 425.520 4.292 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn(-c2cccc(Cl)c2F)nn1 776331232 SIGAAEYZRNCKRE-UHFFFAOYSA-N 433.834 4.022 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 779489970 UVVGJAXSXDUKSG-GXVATQTDSA-N 434.458 4.024 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(OC(F)F)cc2)cc1 782423893 OJNLONUNDAJIDK-UHFFFAOYSA-N 443.450 4.115 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2c1OCO2 782486113 HBZAVKUKNUCGPI-XNTDXEJSSA-N 432.548 4.097 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2nc(O)[nH]c2c1 783124817 HKZNFICEZYBDSV-CQSZACIVSA-N 428.452 4.500 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 784030443 PJURYCQKGROLER-UHFFFAOYSA-N 436.483 4.488 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(CCN3CCCC3)c2)C2CCCCC2)cc1 784057941 HXQMXDVGYWIWEV-UHFFFAOYSA-N 434.584 4.212 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 785293200 DGVHWHAVGJJBCW-INIZCTEOSA-N 442.581 4.350 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1OC(F)F 787389637 YZFWMKPVXMSAEE-QGZVFWFLSA-N 445.510 4.114 10 20 IICD CC(C)[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1 788957455 LUCSPAUUPDWSTP-FCHUYYIVSA-N 447.526 4.314 10 20 IICD CN(C)c1ccc([C@H](CN[C@H]2CCC[C@@H](c3ccnn3C)C2)NC(=O)OC(C)(C)C)cc1 790491682 XDLWZLRJNIVELR-URVUXULASA-N 441.620 4.368 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(I)c(C)cc2C)c1 793687723 ASDCHXGZFQWZBD-LBPRGKRZSA-N 425.266 4.113 10 20 IICD CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 799186572 AKESGMPJHUWFRO-UHFFFAOYSA-N 441.534 4.007 10 20 IICD Cc1c(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cccc1N1C(=O)CCNC1=O 800500027 OUHDZYWVKSVXNS-INIZCTEOSA-N 442.947 4.104 10 20 IICD COc1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1O 800540270 BGKHAJYEMCYAHP-SFHVURJKSA-N 433.936 4.243 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 800752439 QGORECVRVZPBLK-GOSISDBHSA-N 446.345 4.188 10 20 IICD Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 800914943 CIBQBQKXAJTUCQ-QGZVFWFLSA-N 429.460 4.089 10 20 IICD COC[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 802764368 VHVXCZKGIHPFQV-VXKWHMMOSA-N 449.599 4.252 10 20 IICD CC(C)Cn1ncc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 806814584 RGQAYNSSFUXBFO-IAGOWNOFSA-N 443.567 4.491 10 20 IICD C[C@]12CCN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C[C@H]1C2(Cl)Cl 806877750 FRLGMEFNPLOCGH-CRFBAAHOSA-N 448.341 4.482 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1I 807838057 HYABQHHERPYNBN-UHFFFAOYSA-N 440.039 4.373 10 20 IICD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1Cl 808535451 MIKQSJHGGRGYTM-UHFFFAOYSA-N 445.368 4.420 10 20 IICD O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 810445106 LNFWRAHTISWYBX-RDGATRHJSA-N 428.492 4.323 10 20 IICD COC[C@]1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)OCCc2ccccc21 812476643 JUVADCVYOMMICP-SANMLTNESA-N 438.568 4.351 10 20 IICD CCOc1ccc(NCc2ccc3ccccc3c2O)cc1S(=O)(=O)N1CCCC1 816607220 KEYGECGXCNHUDZ-UHFFFAOYSA-N 426.538 4.341 10 20 IICD C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)Cc1ccc(N2CCCCC2)cc1 857758333 FZSDUMUJWPOCLF-QHCPKHFHSA-N 448.655 4.278 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 880197887 IWDRIHJACZCZTQ-NRFANRHFSA-N 425.598 4.392 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3N3CCCC3)cc2F)C[C@@H](C)O1 916670637 ZUSLEXNXDFLIPU-HDICACEKSA-N 426.536 4.361 10 20 IICD CCOc1ccc(OCCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917710578 KEKKFCFKVWFDEQ-RTBURBONSA-N 444.547 4.313 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294677 RWRFDZUCIFXQIT-UHFFFAOYSA-N 428.872 4.123 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCC3)c2)c1 919863447 MIRCASDADDJSQV-UHFFFAOYSA-N 433.549 4.097 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)n2)cc1 921206000 QEHMGFLQDBJICD-UHFFFAOYSA-N 439.609 4.030 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)n2cccc2)cc1 1802791026 BYKBLKOFIAPMPZ-INWJIATQSA-N 444.579 4.409 10 20 IICD CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821294253 BAWHAOIEUGXLFS-INIZCTEOSA-N 434.924 4.216 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC1=S 14176991 IUKOAAIKZRATGK-CLEQQJOVSA-N 435.567 4.091 10 20 IICD Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(N2CCC(CO)CC2)cc1 237793944 UYEIEBNCFHBWDF-UHFFFAOYSA-N 440.538 4.266 10 20 IICD Cn1cc(-c2ncc(/C=C3/CCn4c3nc3scc(-c5ccccc5)c3c4=O)cn2)cn1 480044882 YQYFJFANPAJBIW-MFOYZWKCSA-N 438.516 4.260 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2C2OCCO2)c(C)n1-c1cccc(Br)c1 726945162 LWRYCJINVGSZIU-IBGZPJMESA-N 433.346 4.224 10 20 IICD Cc1csc(CCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 727175165 MCOQZQSCUZHMRW-UHFFFAOYSA-N 438.544 4.344 10 20 IICD CN(c1ccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1)C1CCCCC1 729878582 XKORUNZLQFCFEV-UHFFFAOYSA-N 436.535 4.379 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1 731885814 WVMFXYRQNZKHEG-CYFREDJKSA-N 426.557 4.269 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1C 733149414 ARZNVDNQEKQJAC-QHCPKHFHSA-N 427.508 4.235 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NCc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)cc1 742384471 DNTDQNRNFAHTBY-KRWDZBQOSA-N 442.466 4.165 10 20 IICD COc1ccc(Cl)cc1NCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742806274 RCRDPNZFLTXLAX-HNNXBMFYSA-N 439.890 4.147 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 745840597 LHESSIAJLFSBIW-IBGZPJMESA-N 443.345 4.324 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](Cn1cccn1)c1ccccc1 745840600 LHESSIAJLFSBIW-LJQANCHMSA-N 443.345 4.324 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)s1 749012075 XGDFHBKXYOLKHG-UHFFFAOYSA-N 430.479 4.046 10 20 IICD CCc1cc(CN2CCCN(Cc3nc([C@H](C)OC)no3)CC2)c(O)c(C(C)(C)C)c1 749979571 LMEZAPAFNDXCDA-KRWDZBQOSA-N 430.593 4.050 10 20 IICD COc1ccc(N2CCN(CCNC(=O)[C@@H](C)c3c(Cl)cccc3Cl)CC2)cc1 751386355 SDOQVORFRVBFDV-INIZCTEOSA-N 436.383 4.044 10 20 IICD CC(C)(C)[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1cccs1 751936531 JKAMEBPOIOLMFU-FQEVSTJZSA-N 443.594 4.438 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)CC2)cc1F 753882728 HCZIOEGLBUETDF-HKBQPEDESA-N 447.576 4.236 10 20 IICD CCn1c(-c2cccs2)nn(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1=S 754015230 XVMBLKCFTISWMC-UHFFFAOYSA-N 433.578 4.090 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 758415520 ITSNJMHOXXLTEY-FDIDITGRSA-N 429.519 4.041 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1)c1cccs1 761764365 HTDTURUYTJKDRU-UHFFFAOYSA-N 438.490 4.453 10 20 IICD C[C@H](N[C@@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817299 XZQMGDDPFJETOB-AOMKIAJQSA-N 428.939 4.489 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1ccc(Cl)cc1 765118556 LPVJRLRSEAXAIL-OAHLLOKOSA-N 429.927 4.056 10 20 IICD COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(N(C)C)cc2)c1 765296975 LZLXENHBEZPLGK-VWLOTQADSA-N 433.552 4.207 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(N2CCOCC2)cc1 765327698 BIFPMHCHNTWRNR-RBUKOAKNSA-N 429.992 4.425 10 20 IICD Cn1ccnc1[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(Cl)cc1 765453493 LCLQPKTWXJFQGV-MRXNPFEDSA-N 449.736 4.130 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 765750205 BOKFRIBGZLSJNI-UHFFFAOYSA-N 440.219 4.289 10 20 IICD Cc1cc(Cl)c2c(c1)[C@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCCO2 768509886 XBGUERKLLZEVLC-XMSQKQJNSA-N 427.976 4.354 10 20 IICD C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC12CCC2 770755718 GUEWVPXLZLYRIN-MRXNPFEDSA-N 425.495 4.264 10 20 IICD COc1ccc(N2CCN(C(=O)/C(=C\c3ccc(O)c(OC)c3)c3ccccc3)CC2)cc1 771868549 OQWMBXIPQAXJJS-MOHJPFBDSA-N 444.531 4.299 10 20 IICD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773847039 MLCCTFYXGKWBBN-AWEZNQCLSA-N 445.585 4.104 10 20 IICD C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(N(C)C)cc1 773988156 JBNUEDMAOZGACT-QGZVFWFLSA-N 427.504 4.040 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(-c4ccccc4OC)cc3)nc12 775461827 YNFJQAXKBGVXJH-MRXNPFEDSA-N 446.507 4.138 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 776070465 WUWXFUUENVPHAH-QFIPXVFZSA-N 427.545 4.133 10 20 IICD COc1ccc(-c2ccc(C(=O)Nc3cccc(N4CCN(C(C)=O)CC4)c3)c(F)c2)cc1 781045259 GUYTVWDNANFIQD-UHFFFAOYSA-N 447.510 4.422 10 20 IICD C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCNC2=O)cc1 786831431 YLKAYLDEYGHSAN-SJLPKXTDSA-N 430.499 4.137 10 20 IICD CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 787871571 BRBREEBXCKSPKE-SFHVURJKSA-N 436.508 4.179 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)cc2)CC1 788309350 LNTQICHQAHPLHK-UHFFFAOYSA-N 435.977 4.302 10 20 IICD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1ccc(N2CCOCC2)c(F)c1 789877588 FPIDLFOJWQBKSZ-UHFFFAOYSA-N 425.548 4.455 10 20 IICD COc1cc(-c2noc(CCCCCNCc3c(O)ccc(Cl)c3F)n2)ccc1O 790965343 GKOXRCJUFQZTCU-UHFFFAOYSA-N 435.883 4.452 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 792341981 JSJCXBXPXNWWFY-UHFFFAOYSA-N 432.263 4.141 10 20 IICD CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 799887512 AVOOLWPCHUTEBF-KRWDZBQOSA-N 442.991 4.325 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 801640937 YUDDVXFDZQUPGV-UHFFFAOYSA-N 434.514 4.170 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)cc1F 806772089 JHHIXAPJMPEMTQ-MRXNPFEDSA-N 428.556 4.207 10 20 IICD O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(Br)c2O)C1 809686861 NOIYSUPHCZRKQU-IBGZPJMESA-N 431.374 4.258 10 20 IICD Oc1ccc2c(c1)OCCN(Cc1cc(Br)cc(Br)c1O)C2 809705559 XGTZRTDLPPOYSP-UHFFFAOYSA-N 429.108 4.017 10 20 IICD CC[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(C(F)(F)F)cc1O 810215992 AWXYMSBNILIOLO-GHTZIAJQSA-N 449.517 4.349 10 20 IICD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1cc(Cl)cc(Cl)c1O 813683198 WXJUJZPUCPNLEJ-QGZVFWFLSA-N 441.380 4.175 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)cc1 915289877 WKPOCJJCWQHRNK-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H](C)c1ccc(F)cc1 917141244 UFTBGRHAZCETBP-CEXWTWQISA-N 445.554 4.278 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 918055925 NNQAXTPPNSOJLH-UHFFFAOYSA-N 444.535 4.053 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2c(C(F)(F)F)cc(O)nc2o1 918617037 HDCRMNRORUJIPH-UHFFFAOYSA-N 437.443 4.035 10 20 IICD Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 920011850 ZRKGIQVQJLEZJK-FQEVSTJZSA-N 426.428 4.096 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c[nH]cc1-c1ccc(Cl)s1 920097363 VLUJZKAWMXXSOC-UHFFFAOYSA-N 433.936 4.427 10 20 IICD C[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(N2CCOCC2)cc1 920871576 BQMFHXUURMGPAM-OAHLLOKOSA-N 431.920 4.221 10 20 IICD COCc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(C(C)(C)C)n1 1116356785 WMHXIWGKKRUZKH-UHFFFAOYSA-N 438.494 4.388 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OC(F)F 15352365 PJTPGTQQPQIUSQ-NVNXTCNLSA-N 437.445 4.401 10 20 IICD NC(=O)[C@H]1CC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)=NN1c1ccc(F)cc1 254484775 JOBTZUQGYCQXTG-OAQYLSRUSA-N 430.443 4.300 10 20 IICD O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 303142060 KYMKRFWLXYTZLC-UHFFFAOYSA-N 426.563 4.172 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3cccnc3OCC(F)(F)F)cc2)CC1 303370843 JWQVKVWUWIOJLU-UHFFFAOYSA-N 436.478 4.258 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)ccc21 534743753 UJEBMLMDNBXXJC-UHFFFAOYSA-N 440.507 4.286 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)n(C)c2ccccc12 577092015 DKMUTJZQNRFFRR-GOSISDBHSA-N 426.520 4.042 10 20 IICD CN1CCCc2cc(CNC(=O)NC3CCN(c4nc5ccccc5s4)CC3)ccc21 726248075 MQQZDASOJPPABZ-UHFFFAOYSA-N 435.597 4.147 10 20 IICD CCOc1c(OC)cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC 726249945 OQARVNJBGYKCRL-UHFFFAOYSA-N 440.496 4.313 10 20 IICD O=C(NCc1ccccc1N1CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726707607 DBFKUVLLIIWVTD-UHFFFAOYSA-N 444.526 4.356 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)n2C)cc1 726752535 NNMQYOLXSJMGSZ-UHFFFAOYSA-N 429.615 4.141 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCc2c(Br)cccc21 727943528 MVOWZUDULUTTGN-OAQYLSRUSA-N 444.373 4.115 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 728234414 JSHKQNUXDHEKRD-DEOSSOPVSA-N 447.535 4.458 10 20 IICD CN(C)c1ccc(CN(Cn2nc(-c3ccccc3F)ccc2=O)CC(F)(F)F)cc1 728904857 WPLHFSBDHJKXDI-UHFFFAOYSA-N 434.437 4.137 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1 731758827 IGTPFRNQLCIFOA-UHFFFAOYSA-N 439.947 4.373 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C(=O)Nc3cc[nH]n3)c3ccccc3)c2C)c1 733150029 HAXQIQPFAFKHIB-QHCPKHFHSA-N 427.508 4.235 10 20 IICD Fc1cc(CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)ccc1N1CCOCC1 735623066 UKQQFMDDLNNEGL-UHFFFAOYSA-N 445.894 4.404 10 20 IICD Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)N(C)Cc2ccccc2O)c1C 737133837 FNOGFBKVXNVCRC-UHFFFAOYSA-N 447.322 4.099 10 20 IICD COc1ccc(N(CC(=O)NCc2ccc(OC(F)F)cc2)Cc2ccco2)cc1F 739926734 TVGPZLKCPZHFIE-UHFFFAOYSA-N 434.414 4.352 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2cccc(Br)c2)C1 740919401 QULOHSSNYBHJNO-OAQYLSRUSA-N 442.357 4.108 10 20 IICD Ic1ccc2ncnc(NCc3ccc(N4CC=CC4)cc3)c2c1 742409046 NQUOXDGIKSWHDF-UHFFFAOYSA-N 428.277 4.223 10 20 IICD COCc1cccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1 743282287 KSYBJXAFNMIVAF-MOSHPQCFSA-N 427.547 4.048 10 20 IICD CC(C)OCCOCc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 744797352 AHAZIJHRHQEJNM-HXUWFJFHSA-N 441.572 4.348 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CCCOc2ccccc21 749931540 OKTXDMDACQBRFI-FQEVSTJZSA-N 449.473 4.255 10 20 IICD C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 750280977 DUENHMHPCOBZII-MRXNPFEDSA-N 439.516 4.318 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1ccc2ncccc2c1 751298591 AWETZTFRIFWRHI-UHFFFAOYSA-N 446.474 4.086 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4cccc(Cl)c4)no3)cs2)cc1 751930797 KRWNVLMJGABFMA-UHFFFAOYSA-N 426.885 4.377 10 20 IICD CO[C@H](C)c1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cs1 753055778 JLNZROPFZDEHFM-MRXNPFEDSA-N 428.558 4.422 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OCC 753795207 DQSUWLQKHIRTFW-QGZVFWFLSA-N 445.535 4.225 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)c(F)c3)SC2=S)CC1 753993038 CIUWOGKMEDJCHQ-OQLLNIDSSA-N 434.480 4.062 10 20 IICD C[C@H](NCCCOC[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O 756604683 OYNFJFRASRRFIR-RYUDHWBXSA-N 437.172 4.011 10 20 IICD COc1ccc(C(C)(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 757675400 LSTRNHBUSBHKSD-QGZVFWFLSA-N 448.510 4.368 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1 758415157 FQFYUYAWHPAETQ-DTQASYIRSA-N 435.473 4.311 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Cl)cc1OC(F)F 762953191 MBNABPAZINXDRL-UHFFFAOYSA-N 443.853 4.363 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 764847895 ACIFVLUOBKBVLC-UHFFFAOYSA-N 441.871 4.244 10 20 IICD O=C(Nc1cc(C(F)(F)F)ccn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765339230 GHKFVGAFZDFPFI-UHFFFAOYSA-N 430.377 4.492 10 20 IICD O=C(NCc1cccnc1Oc1cccc(F)c1)NCc1cccc(Br)c1O 765452405 WYVRITKPXGGLRE-UHFFFAOYSA-N 446.276 4.481 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3ccc(-c4ccccc4)cc3)CC2)cc1 768329417 YIQPGFSPVIGGMB-AREMUKBSSA-N 445.563 4.364 10 20 IICD COc1cc(N(C)Cc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)cc(OC)c1OC 772188437 PGBXEYDJWOVVLE-GFCCVEGCSA-N 428.558 4.061 10 20 IICD CCCN(Cc1ccccc1O)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 772797959 KFCBVRNMGKWKMY-CQSZACIVSA-N 429.542 4.149 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(N(C)C)cc1 773846736 NVNWXXLNCKYWMP-OAHLLOKOSA-N 438.915 4.409 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1O 775563419 YDYWDFJRWFKATO-ZDUSSCGKSA-N 437.418 4.275 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2cncnc2)cc1F 775878969 GAZAEFFUKCNIHH-IBGZPJMESA-N 440.906 4.036 10 20 IICD CO[C@@H](C)c1nc(CNCc2cc(Br)cc(Br)c2O)cs1 776229786 CTYIMSJCRGXRMD-QMMMGPOBSA-N 436.169 4.371 10 20 IICD COc1ccc(N2CCCN(Cc3nc4ccc(Br)cc4n3C)CC2)cc1 776788128 JLWCQBALWJGFTP-UHFFFAOYSA-N 429.362 4.057 10 20 IICD COc1ccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCCC2)cc1OC 776853212 YEJUQUJPNSTMNQ-LJQANCHMSA-N 438.568 4.230 10 20 IICD COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 777659160 MNDCAXMONSCQFZ-QGZVFWFLSA-N 427.520 4.080 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)o1 777694409 KDLXFMIYTYXACS-UHFFFAOYSA-N 428.491 4.452 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccc(CN3CCC(O)CC3)cc2)c1O 779021987 IOJZSZPEPJQQNJ-MRXNPFEDSA-N 433.390 4.271 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)N[C@@H](C)c1ncn(C)n1 780311610 BVFKTNUERCAXLT-KBXCAEBGSA-N 446.477 4.371 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ncccc12 783316966 RLEOKXDDEPYNRJ-UHFFFAOYSA-N 434.540 4.075 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1Cl 784058514 XAMHNYPTEHGLSZ-UHFFFAOYSA-N 445.947 4.252 10 20 IICD CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H](CC)CN1C(C)=O 785025375 DUUITQQFNXIXNS-FGZHOGPDSA-N 435.528 4.288 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)cc2)CC1 786658720 DFJIAUMMMQIHHC-UHFFFAOYSA-N 437.628 4.358 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2F)C[C@@H](C)O1 786710132 MQCUTDIPJINFPB-QWQRMKEZSA-N 431.474 4.312 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(F)cc1Cl 791250951 VCNLMJODPNQUSH-UHFFFAOYSA-N 436.911 4.247 10 20 IICD COc1ncc(/C=C/C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cn1 799505871 QTUUHXPSFOEOSV-GORDUTHDSA-N 443.276 4.028 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n(C(C)(C)C)n1 800636366 KJJHOVLEMNXHNB-HNNXBMFYSA-N 445.995 4.091 10 20 IICD C[C@H]1CN(Cc2csc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)C[C@@H](C)O1 806155598 SCNWIMQARDRMHG-PHIMTYICSA-N 445.372 4.086 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(Br)c(F)cc1O 806169017 HIECXTBYKAPAEU-WDEREUQCSA-N 441.263 4.278 10 20 IICD CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807673667 XLDWWHDNRKLYDT-MRXNPFEDSA-N 446.389 4.130 10 20 IICD C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1cc(Br)cc(Br)c1O 808729508 KWBZPCYVOXZNPL-YCELRVBUSA-N 443.135 4.062 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc4ccc(Br)cc4n3)cc2)C1 811745530 OPKUGRBFLGVJNV-KRWDZBQOSA-N 439.357 4.311 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3c3cccnc3)cc2F)C[C@@H](C)O1 813591245 UTOWNPASRZBJGQ-JKSBSHDWSA-N 426.536 4.127 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC3(CC2)OCCCO3)c(C)n1-c1ccc(OC(F)F)cc1 815156551 MJJRVSMKYPYVMI-SFHVURJKSA-N 448.510 4.496 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1)C1CC1 815594519 RCFIVLKQIYFQDB-UHFFFAOYSA-N 434.540 4.089 10 20 IICD CC(C)OC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CCCC2 915185007 CVPWLQDOIRCEHZ-HNNXBMFYSA-N 430.501 4.396 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCN1CCN(c2ccccc2)CC1 916489899 SVKKCENZJZGIQU-UHFFFAOYSA-N 449.643 4.031 10 20 IICD CCOc1ccccc1OCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917712364 XOVOQUJCHYFRPF-OALUTQOASA-N 444.547 4.313 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 918134713 CFWUBAMEWFRJBB-UHFFFAOYSA-N 429.992 4.326 10 20 IICD Cc1ccc(OCCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918207821 JSGJTCXTTCMMDK-BGYRXZFFSA-N 443.563 4.406 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)NCCCc2ccccc2)cc1 918239420 PACDMSXDTUELKD-UHFFFAOYSA-N 445.563 4.043 10 20 IICD Cc1cc(Br)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294694 SELFOEVAHPIDKB-UHFFFAOYSA-N 443.297 4.224 10 20 IICD COCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 918547336 VOJVCMXCMDETFT-GOSISDBHSA-N 434.920 4.284 10 20 IICD CCOC(=O)Nc1ccc2c(CN(CC)c3ccc(OC)c(OC)c3)cc(=O)oc2c1 921061175 RBTPYCXAEGGVOY-UHFFFAOYSA-N 426.469 4.405 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3sc(NC(=O)OC(C)(C)C)nc3C)CC2)cc1 1116532545 VRSOPTRFBGYPRH-UHFFFAOYSA-N 446.573 4.160 10 20 IICD Cc1cc(=O)c(C(=O)Nc2c(Cl)ccc3nonc23)nn1-c1ccccc1C(F)(F)F 1116837732 UHQNFCFMSWMJBE-UHFFFAOYSA-N 449.776 4.002 10 20 IICD O=C(/C=C/C1CCCCC1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788427722 HVCXCFOFLRVEKW-KPKJPENVSA-N 435.524 4.377 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1)c1cc(O)nc(O)c1 1788429102 VGSUTDJIZKIAOA-RTWAWAEBSA-N 443.503 4.044 10 20 IICD CC(=O)Nc1ccc(NC(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 57642377 IZFOZCGXNATDIG-UHFFFAOYSA-N 437.521 4.123 10 20 IICD Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c(C)n1-c1ccccn1 108573421 YCVPVWACDPRFHG-UHFFFAOYSA-N 425.492 4.066 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccnc3Nc3ccccc3OC)CC2)cc1 108581387 SQMGKCQDEOPWJF-UHFFFAOYSA-N 432.524 4.195 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C 471234365 BCWOOOXSWSOTGC-QGZVFWFLSA-N 444.622 4.467 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 726274589 FOQHNURPESKSSW-UHFFFAOYSA-N 447.583 4.214 10 20 IICD Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 726565287 KFVPLWIQZOKXPB-UHFFFAOYSA-N 445.510 4.478 10 20 IICD CCc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1-c1ccccc1 726567365 IMOBBCDBVFOTOY-UHFFFAOYSA-N 440.494 4.435 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 726628434 XLTWIRINFHUPHK-VCHYOVAHSA-N 447.534 4.135 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(C)c2)nc1-c1ccccc1 727245768 NBQNMIYZHXHJFA-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(Cc3ccccc3)C3CC3)ccc21 728637703 FBCGECAXEKQTRY-UHFFFAOYSA-N 434.536 4.253 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Br)cc3F)cc2)CC1 731131501 LMEISHJIFSBORX-UHFFFAOYSA-N 448.336 4.079 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2OC)c2nccn2C)cc1F 731363473 GKKARSFLYKOCOV-QFIPXVFZSA-N 439.535 4.003 10 20 IICD Cc1ccc(S(=O)(=O)N[C@H](CCOC(=O)c2cc(O)cs2)c2ccccc2)cc1 732354683 QDUCTYYBUQHLTH-LJQANCHMSA-N 431.535 4.029 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCSc3nccs3)cc2)cc1 733879067 HJELXYDMVAICGS-UHFFFAOYSA-N 447.607 4.165 10 20 IICD Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1Br 734143453 CFYJOCAOZFHPTQ-IRXDYDNUSA-N 446.389 4.233 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)n2)cc1[N+](=O)[O-] 734740943 YIRIOUCZYGPKKZ-UHFFFAOYSA-N 435.531 4.222 10 20 IICD COCC[S@](=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 735067063 RNAWLSAAAKVQGL-PMERELPUSA-N 428.529 4.381 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)n2)s1 737381251 KKKRRDDZUGUQAV-UHFFFAOYSA-N 425.532 4.332 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(F)c(C(=O)OC)c1 743111596 RHJDGYAYQRKAEY-UHFFFAOYSA-N 425.254 4.134 10 20 IICD CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)C[C@@H]1CCN(Cc2ccccc2)C1 743402637 NHTBEYTVPVAIHF-NRFANRHFSA-N 430.548 4.283 10 20 IICD C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(NC(=O)c2ccncc2)cc1 745819778 DHJCICISFBTYKJ-QGZVFWFLSA-N 444.535 4.479 10 20 IICD CC[C@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2NC1=O 745932768 SFEBCTWMBMDARW-KSFYIVLOSA-N 436.556 4.297 10 20 IICD C/C(=C\C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 748383807 AZNBZCISFNHMCO-DTQAZKPQSA-N 434.458 4.377 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(Br)c1 750732662 UXQDLDNYEYDIHZ-UHFFFAOYSA-N 444.373 4.242 10 20 IICD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccco1)Cc1ccccc1O 752088564 MEHYKYLSXWZFEK-UHFFFAOYSA-N 433.420 4.049 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@H]3CCOC3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1 752850555 JQPMDARKQWLQMV-FYYLOGMGSA-N 449.599 4.394 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3CCC(F)(F)F)cc2)C1 757243358 FCLMEWZAAPEWFF-SFHVURJKSA-N 448.489 4.205 10 20 IICD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCCCSc1nccs1 759033608 FCWGLLCHAZUODV-MRXNPFEDSA-N 432.615 4.067 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(N(C)C)cc1 765278824 CGXCIURUEGOLID-XMMPIXPASA-N 448.590 4.249 10 20 IICD O=S(=O)(c1ccc(OC[C@H]2CCOC2)c(F)c1)N(Cc1ccccc1O)C1CCCC1 767794561 UZMJEOIRSBHOEV-KRWDZBQOSA-N 449.544 4.080 10 20 IICD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 768025971 UFVBVBXWMHPJOO-UHFFFAOYSA-N 447.583 4.141 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 768076524 XVPWWYFZGUKPOR-UHFFFAOYSA-N 447.583 4.108 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)CC2)cc1 768274067 CRTUCEGDHIIPFX-LJQANCHMSA-N 447.501 4.074 10 20 IICD COc1ccc(N2CCN(Cc3ccc(OCc4ccncc4)c(OC)c3)CC2)cc1F 770302817 SVSJYHKTFAMARX-UHFFFAOYSA-N 437.515 4.139 10 20 IICD O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771067209 SNIQZZVVLUXHML-LJQANCHMSA-N 441.984 4.492 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccc(N(C)C)cc1 773858009 NSZRLJIJEOIHNC-QGZVFWFLSA-N 436.556 4.087 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 774371561 QODZUXQQRDLZQN-QGZVFWFLSA-N 443.288 4.352 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1F 775053445 XXMXABQJOUEDFK-UHFFFAOYSA-N 434.514 4.462 10 20 IICD COc1cccc(CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C2CCC(O)CC2)c1 776237716 ICXZNMPWLWLTMF-WDGBRCNXSA-N 425.573 4.338 10 20 IICD COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c2cccnc12 782895462 CWLFNJJPLYNREZ-UHFFFAOYSA-N 433.508 4.249 10 20 IICD C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CN(C(=O)OC(C)(C)C)C1 788611592 KOEMUZMLQGDXAV-DOTOQJQBSA-N 425.520 4.102 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(O)ccc3C(F)(F)F)cc2F)C[C@@H](C)O1 788648264 VWBKQVQLCIAQBC-CHWSQXEVSA-N 426.410 4.094 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 789758541 VBKGASGHWKDKMA-INIZCTEOSA-N 429.586 4.377 10 20 IICD Cc1cc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)ccc1OCC(F)(F)F 797744513 JMPUEKWDXDZZLK-UHFFFAOYSA-N 446.809 4.414 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@H]1CCCC(F)(F)C1 799887567 CIZFPNXEISPRED-AWEZNQCLSA-N 435.437 4.167 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cc2Cl)C1 800050542 XJSWSGIKILYEIB-IEBWSBKVSA-N 434.024 4.477 10 20 IICD COc1ccc(N2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3C)CC2)cc1 809809256 UQHSIZSKIFPSBQ-FQEVSTJZSA-N 435.572 4.297 10 20 IICD Cc1cc(=O)cc(C)n1CCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 810715054 VAQMIEIWRROYLO-QGZVFWFLSA-N 429.992 4.451 10 20 IICD COc1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC(C)=O)c(OC)c3)SC2=S)c1 814276973 PGALTOBKEVUXQL-VCHYOVAHSA-N 445.518 4.044 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)O[C@@H](c3ccc(C)nc3)c3cncn3C)c2C)cc1 816322386 NCLOIYQCZAILDD-DEOSSOPVSA-N 430.508 4.486 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1ccn(C)c(=O)c1 916438079 AGJDORREGKYKEE-LJQANCHMSA-N 429.442 4.311 10 20 IICD Cc1cc(C(=O)CN2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 917164761 QQEDYZHTVYOFRU-UHFFFAOYSA-N 449.382 4.073 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(SC)sc2c1 918304403 PSYAUVOQMGOBFQ-UHFFFAOYSA-N 428.583 4.071 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 920237940 LIDTZIVOEFDABX-OAQYLSRUSA-N 444.373 4.332 10 20 IICD C[C@@H](NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920871646 MSRXMYBLDYLJSY-MRXNPFEDSA-N 437.462 4.025 10 20 IICD C[C@H](NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920921346 CBOHHELJYIETHV-AVRDEDQJSA-N 443.975 4.491 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](OC)c1ccc(F)cc1 1340110277 PQPDXJFXFHMSKB-SFHVURJKSA-N 425.298 4.213 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1)c1cc(O)nc(O)c1 1788427970 LGFALXZIBUKAFO-UHFFFAOYSA-N 442.475 4.036 10 20 IICD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)c1ccccc1 1788429274 BQSZPANBZAODTR-INIZCTEOSA-N 431.492 4.044 10 20 IICD O=C(c1cccnc1NCc1ccc(N2CCSCC2)cc1)N1CCc2ccccc21 301336843 DGUOLKOPOFVBEA-UHFFFAOYSA-N 430.577 4.450 10 20 IICD Cc1ccc([C@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)N(C)C)cc1 726709322 RCDOHEPQJIJTIK-QFIPXVFZSA-N 446.542 4.167 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)cn1 726985496 AZJISXWTNJBTQE-LVSMMTLPSA-N 428.535 4.054 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 727246596 NFWJQLLCCNWFRH-UHFFFAOYSA-N 449.510 4.099 10 20 IICD CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1 727249892 DCESJPUTLMUXSL-UHFFFAOYSA-N 433.530 4.232 10 20 IICD CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc2O1 727363895 HSLHBVIASLODQB-JOCHJYFZSA-N 429.480 4.054 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(NC(=O)Oc4ccccc4)CC3)ccc21 728475202 MGTHZXPMALKRAF-UHFFFAOYSA-N 449.551 4.298 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)ccc21 728520039 UUGDEURVBHFNLR-UHFFFAOYSA-N 443.588 4.281 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 734402251 JYZCFQDLZLJAFQ-RBBKRZOGSA-N 447.501 4.306 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 735704768 GTWCUXYIBZNAFO-GOSISDBHSA-N 434.418 4.488 10 20 IICD COc1ccc(-c2ccc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)c(F)c2)cc1 739768368 QSCSUUAXOLKHMB-UHFFFAOYSA-N 447.510 4.455 10 20 IICD COc1ccccc1-c1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 742801727 SFJPLOCYDDUOJW-HNNXBMFYSA-N 443.450 4.350 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(COCc2ccccc2)cc1 743954687 DFCZYOVUNUYLCD-UHFFFAOYSA-N 444.531 4.243 10 20 IICD CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cc(Br)ccc1O 744427097 YCGQEGYCKWNADR-UHFFFAOYSA-N 442.697 4.177 10 20 IICD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C(=O)N1c1ccccc1 745881670 KLOMQSFBCRRMIX-NTKDMRAZSA-N 446.551 4.251 10 20 IICD O=C(NCc1sccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 746981586 XEGFXZNNFMKIMB-AWEZNQCLSA-N 425.348 4.107 10 20 IICD CC[C@@H](CSc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 752646816 ATJXNXVIRVYCKQ-SFHVURJKSA-N 431.577 4.157 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2F)C[C@H](C)O1 752897084 ZGMYIKLSBPJEMG-HOTGVXAUSA-N 447.501 4.102 10 20 IICD COc1cc(OC)cc(OCCCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 753946039 GVBYSBIMKRFUJM-UHFFFAOYSA-N 441.572 4.305 10 20 IICD O=C1C[C@@H](N2CC[C@H](C3CCOCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 754686263 IYCSDPGCAKOZNW-WMZHIEFXSA-N 432.524 4.482 10 20 IICD CCc1c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cnn1CCC(C)C 756188349 CBECKXSFCRTJDM-UHFFFAOYSA-N 425.577 4.236 10 20 IICD C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1ccc(OCC(=O)NC2CC2)cc1 756427626 BJNFHPBWMWXYQU-ZIAGYGMSSA-N 433.346 4.224 10 20 IICD COc1ccccc1[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C 756432119 HGTZEWUGUSIXTI-KBXCAEBGSA-N 431.489 4.226 10 20 IICD C[C@@H](NCc1cn2ccsc2n1)c1cc(Br)cc(Br)c1O 756456395 OOCGPHOPNIJTLJ-MRVPVSSYSA-N 431.153 4.477 10 20 IICD CCc1noc(C)c1COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 757989794 MIZKZIQPHGTYCR-YBEGLDIGSA-N 436.580 4.332 10 20 IICD CC[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1=O 761089974 GOYWGZTXRVJDBE-KGVIQGDOSA-N 439.531 4.355 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)cc1OC(F)F 762962199 ZWKVJESFMADCEM-UHFFFAOYSA-N 429.826 4.239 10 20 IICD COc1ccc(C[C@H](CO)CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1O 762985218 ZGVXOQBKHQCCEZ-SFHVURJKSA-N 442.943 4.043 10 20 IICD C[C@H](NC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1)c1ccc(N2CCOCC2)cc1 764357391 VKBHQYWCHJSZLA-VXKWHMMOSA-N 442.648 4.270 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1 766997810 CHXRBOYWMMVUDD-MRXNPFEDSA-N 431.374 4.078 10 20 IICD CN1CCO[C@H]([C@@H](NCc2ccc(N3CCSCC3)cc2)c2ccc(Cl)cc2)C1 769014452 YGAKLNIQZVOADJ-GOTSBHOMSA-N 432.033 4.055 10 20 IICD CN(Cc1cccc(N(C)C)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770400073 NFJRQPVPBOYYTD-GOSISDBHSA-N 432.515 4.164 10 20 IICD Cc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1-c1ccc2c(c1)OCCO2 772482827 GPODEANYXZMTSG-UHFFFAOYSA-N 429.480 4.211 10 20 IICD CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)c2)CC1 780408077 VJEHHCZNLPDHEW-UHFFFAOYSA-N 449.532 4.055 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c(OC)c1 785544026 ONQDYYAOZUCBCM-UHFFFAOYSA-N 438.914 4.060 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 793861527 GTDGRYXOLVJEBE-INIZCTEOSA-N 447.373 4.031 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnc([C@H](C)O)s2)c(C)n1-c1ccc(F)c(Cl)c1 798692163 VVJSGFONDDEGBJ-LBPRGKRZSA-N 436.892 4.436 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 802083404 ACCCNMKEJYCOLR-LJQANCHMSA-N 442.579 4.356 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCn4c(C5CCCC5)nnc4[C@H]3C)cc2)CC1 806766382 TUCYWAODSPVLSE-LJQANCHMSA-N 436.604 4.458 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3cc(Cl)ccc31)c2[N+](=O)[O-] 808877538 DIQBHENIJSGOBS-UHFFFAOYSA-N 432.819 4.227 10 20 IICD C[C@H](N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 815653222 HHJALCWZMAWHGN-IXFSTUDKSA-N 443.538 4.204 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCCSc4ccccc43)cc2F)C[C@@H](C)O1 917041490 UCYMDGUUNXMAMW-HDICACEKSA-N 443.588 4.058 10 20 IICD Cc1ccc(OCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C 917381228 XZKVCWAGRTZEDF-UHFFFAOYSA-N 436.474 4.244 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 917619431 KFZSZSMICRRACS-YBEGLDIGSA-N 435.958 4.209 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)s3)cc2F)C[C@H](C)O1 917715939 ZTSUOPFGDNNOQL-HOTGVXAUSA-N 425.529 4.493 10 20 IICD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 918015926 GYVRRAIIFITSJG-OAQYLSRUSA-N 439.600 4.473 10 20 IICD Cc1ccc(OCc2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)o2)c(C)c1 919692739 QIRWEKNRTABBAR-UHFFFAOYSA-N 438.499 4.381 10 20 IICD CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCC2 1317825759 SYEYGICTDKNLBC-MRXNPFEDSA-N 426.538 4.281 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2c1 1340875407 FYFJRYQMGNYSSF-HUUCEWRRSA-N 425.504 4.168 10 20 IICD Cc1cc(F)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c1 1790633166 ZCFAMELYXPVWKN-UHFFFAOYSA-N 435.455 4.002 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc2F)C[C@@H](C)O1 108286260 GROCISFUYQGXER-HZPDHXFCSA-N 442.922 4.208 10 20 IICD CC(=O)N(c1ccc(C)cc1)c1nc(CNCc2ccc(N3CCOCC3)cc2)cs1 236754355 FKAIXBMXJFRSTH-UHFFFAOYSA-N 436.581 4.263 10 20 IICD O=C(c1ccc(I)cc1)N(Cc1ccco1)Cc1ccccc1O 248068897 XEOTXTSAMWGLBL-UHFFFAOYSA-N 433.245 4.432 10 20 IICD CC(C)c1nc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1 726619035 KYNSDZYMUYUBGW-UHFFFAOYSA-N 438.544 4.379 10 20 IICD CCCCc1nnc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 726693892 RIHXSPMVLSXLHS-UHFFFAOYSA-N 425.505 4.273 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(F)c1 727244895 LIXDWKCOBAQOII-UHFFFAOYSA-N 441.437 4.114 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1[N+](=O)[O-] 727249812 IRZLXVXTBKIKMG-UHFFFAOYSA-N 443.865 4.320 10 20 IICD COC(=O)c1coc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 729152065 AXXTXNQKDLRDFD-KRWDZBQOSA-N 426.494 4.084 10 20 IICD CNC(=O)c1ccc(CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C2CC2)cc1 731119676 HKYNFVOBUFQVCN-UHFFFAOYSA-N 434.584 4.157 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc21 734740492 NXLMPYIURUCBGF-UHFFFAOYSA-N 439.518 4.266 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc(C)c1OCc1ccccc1Cl 734880780 RYKWSPUUWNICCG-RQZCQDPDSA-N 446.981 4.222 10 20 IICD Cc1cc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c(C)n1-c1cccc(C(C)C)c1 735810352 JNNNTGDEWNLHDW-UHFFFAOYSA-N 437.565 4.068 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncccc3C(=O)N3CCCCC3)cc2F)C[C@H](C)O1 742394688 XDGWQUXMYNEJPO-ROUUACIJSA-N 426.536 4.073 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3sccc3C)n2)cc1 743045870 COCDDDHVOSCZTM-UHFFFAOYSA-N 435.596 4.050 10 20 IICD O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743091486 MDHOYWBMBLSPJV-INIZCTEOSA-N 446.454 4.035 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)cc1 743706038 XLYVSSMNIPSAPB-QGZVFWFLSA-N 437.544 4.494 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 743901169 AMQYUFNJQZRDKO-UHFFFAOYSA-N 434.386 4.023 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)CO1 745592903 MJUXOCPKPJYGPZ-CVDCTZTESA-N 425.598 4.220 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)o1 748091755 IUBBUTJEBVELQC-UHFFFAOYSA-N 430.866 4.173 10 20 IICD COc1ccc(Br)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 750313117 RONVNVQLWNUDFH-MRXNPFEDSA-N 435.318 4.376 10 20 IICD CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H](c1ccc(C)cc1)n1cncn1 756160202 WZRQYDCGONAUEE-UPVQGACJSA-N 428.540 4.187 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 760361943 XUAOAPKAWRXKTD-UHFFFAOYSA-N 440.518 4.223 10 20 IICD CCc1ccc(-c2noc([C@H](C)NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 760882081 PLGPFHRYLDBWJT-SFHVURJKSA-N 449.555 4.038 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(S)n1-c1ccccc1 764450052 CJLSBUOATMIWHI-UHFFFAOYSA-N 432.343 4.291 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccn(-c2ccccc2Cl)n1 769013628 RLASENPVQLXTAB-UHFFFAOYSA-N 439.947 4.056 10 20 IICD C[C@H](NCCOc1ccccc1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 769218611 VVMIBNLPJMKKOP-IBGZPJMESA-N 426.557 4.208 10 20 IICD C[C@@H](C[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC(=O)OC(C)(C)C 769683264 CUARRWSDMUCPDW-CVEARBPZSA-N 445.526 4.323 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O 774865678 VJSBMHKROAHYLQ-IRXDYDNUSA-N 435.521 4.063 10 20 IICD C[C@@H](N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl 775567710 KIFIIMKYNRYJAO-WAIKUNEKSA-N 428.939 4.489 10 20 IICD COc1ccc([C@@H](NCc2cc(Cl)cc(F)c2O)c2cccc(S(C)(=O)=O)c2)cc1 776219215 DXKFAHQTAMZYKI-OAQYLSRUSA-N 449.931 4.476 10 20 IICD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccc(N2CCCCC2)cc1 779597200 AZTDITBTBFZGPY-UHFFFAOYSA-N 431.602 4.374 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 780683841 WPIVXBKMCYZJMW-IBGZPJMESA-N 430.593 4.216 10 20 IICD CSc1nnc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)s1 783875143 MNJHJKMKBMYLQM-UHFFFAOYSA-N 437.388 4.360 10 20 IICD CCOc1cc2c(cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1)O[C@H](C)C2 784107485 GGHDVHLQEMLLNK-MRXNPFEDSA-N 437.540 4.153 10 20 IICD CN(Cc1ccccc1O)C(=O)C12CCC(C(=O)N(C)Cc3ccccc3O)(CC1)CC2 789983969 YSIKBUPLNZGNRK-UHFFFAOYSA-N 436.552 4.055 10 20 IICD Cc1c([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)oc2ccccc12 790238700 UVBLLDULOYETBH-HKUYNNGSSA-N 434.540 4.003 10 20 IICD CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccccc4C)c3C)c2)C1=O 794267429 SLCCOOLRKOGLTR-NRFANRHFSA-N 430.508 4.490 10 20 IICD COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 807581199 QZZZVVVMUHCYMV-RTBURBONSA-N 445.563 4.483 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCC(F)(F)C3)cc2Cl)C1 807953543 UZDRKWAJKMWFIR-NVXWUHKLSA-N 441.950 4.134 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)cc2C[C@H]1C 812555314 RJJWTQRQWAEULN-LLVKDONJSA-N 433.580 4.278 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3cc(F)c(F)cc31)c2[N+](=O)[O-] 914726596 PJOCDCHFYPSQLR-UHFFFAOYSA-N 448.381 4.241 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1COCc1ccccc1 915778792 POIUYFOXUYNYRY-UHFFFAOYSA-N 443.547 4.259 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916381968 BOMJJVLOHXTRCG-UHFFFAOYSA-N 438.641 4.012 10 20 IICD Fc1cc(CNc2ncc(Cl)cc2Cl)ccc1N1CCN(c2ncccn2)CC1 919723420 KVPWWBYYRRVIGD-UHFFFAOYSA-N 433.318 4.256 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)cc1 919911017 QXFSFWFILUAQEE-HXUWFJFHSA-N 445.947 4.261 10 20 IICD FC(F)(F)c1ccc([C@@H](CNCc2ccc(N3CCCC3)cc2)N2CCOCC2)cc1 1318347820 CAOKXZZHVCZSPQ-HSZRJFAPSA-N 433.518 4.469 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)Nc2nnc(-c3ccco3)o2)c1 1323943724 NEMHEZRYEUVZKV-UHFFFAOYSA-N 440.843 4.186 10 20 IICD Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)cnc21 1343004401 HYJHZNKMFUDTLA-UHFFFAOYSA-N 427.555 4.190 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2O)cc1 1794862921 LRYWDNRVMMFGHZ-UADZTWIMSA-N 443.547 4.365 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCCS2)C3)cc1 1800515800 XDQTVOCOJOHQRS-CWKRKGSWSA-N 437.609 4.242 10 20 IICD CCOC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c1 10962189 VMKYJNRPGBVSHH-UHFFFAOYSA-N 425.485 4.034 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 542015178 PQWDPEUQWLIUAT-UHFFFAOYSA-N 430.508 4.460 10 20 IICD COC(=O)Nc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726695770 NLGPSZOFUCVZJW-UHFFFAOYSA-N 434.443 4.257 10 20 IICD O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 726717824 FJYVAZSZVNDHPH-VAMGGRTRSA-N 445.357 4.401 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(Cc4ccc(F)cc4)n3)CC2)cc1 726946639 OZFQTWWFQHQWOZ-UHFFFAOYSA-N 425.529 4.280 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 730674757 SAGYNXLHZZPZGL-SFHVURJKSA-N 442.579 4.193 10 20 IICD O=C1/C(=C/c2ccc(OC(F)(F)C(=O)O)cc2)SC(=S)N1c1ccc(F)cc1 730732326 IXSXGTKEYFRGAJ-ZROIWOOFSA-N 425.409 4.288 10 20 IICD CC[C@@H](C)CN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 731998432 UTZBRZKISGLCMZ-CDCQXCROSA-N 441.416 4.155 10 20 IICD COc1cc(CNC(=O)NCc2ccc(N(C)C)cc2C)ccc1OCC(F)(F)F 734520223 GEKDDSYWXLQSQT-UHFFFAOYSA-N 425.451 4.010 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1 735583569 ZAKNPTPUSHUEIO-JOCHJYFZSA-N 438.572 4.163 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ccc(C(=O)Nc4ccccc4)nn3)cc2F)C[C@@H](C)O1 737398342 NRVNXPGWIXHQNR-IAGOWNOFSA-N 435.503 4.094 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CC[C@H](Cc3ccccc3)C1)c2[N+](=O)[O-] 741585710 ACHOILAMFJMQAT-QGZVFWFLSA-N 440.455 4.075 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@H](C)S[C@@H](C)C2)c1 742768154 WEALYDVIMGDRAW-HOTGVXAUSA-N 430.595 4.392 10 20 IICD CN(C)[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1 742798742 PYPQZAHZNQZDRW-PXNSSMCTSA-N 437.918 4.329 10 20 IICD Cc1cc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 742904344 FHIYTWMDMVAAQK-FQEVSTJZSA-N 440.569 4.026 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Oc4ccccn4)c3)cc2)CC1 743905005 HJHHFDTUICGVNX-UHFFFAOYSA-N 444.535 4.365 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 745746157 ACPOEMDEMNVFCT-HNNXBMFYSA-N 426.399 4.197 10 20 IICD CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 748526900 FCPHZSXRKDKAPW-QHCPKHFHSA-N 438.572 4.104 10 20 IICD COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 749758248 SCBNNSLRVGIUEP-NRFANRHFSA-N 430.464 4.114 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)cs2)cc1 751932547 UEJRGDQCWYPEJF-SFHVURJKSA-N 445.903 4.071 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3OCC(F)(F)F)CC2)cc1F 753863472 CDXWCWKERBSQKP-UHFFFAOYSA-N 445.388 4.269 10 20 IICD O=S1(=O)CCN(c2ccc(CNCc3ccc(Sc4ccccc4)cc3)cc2)CC1 754059007 GPOPFMAZGOQUSJ-UHFFFAOYSA-N 438.618 4.362 10 20 IICD C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 754159021 KDIBIOPUGJWNCZ-KKSFZXQISA-N 448.489 4.230 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 755029343 RSTHJPFTMFXXFX-UHFFFAOYSA-N 449.305 4.110 10 20 IICD Cc1nc([C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)C2)n[nH]1 761076121 WWRKCDUNKGOZDC-MRXNPFEDSA-N 442.361 4.303 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OC)c1OC(F)F 761751754 MAPUUGGOCLWAQY-UHFFFAOYSA-N 430.245 4.427 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc4cccc(Br)c4n3)cc2)C1 761884113 NECBYAWTKMIXPL-QGZVFWFLSA-N 439.357 4.311 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1C 763275218 VEQGJZTUGJBLSK-UHFFFAOYSA-N 444.285 4.118 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(N3CCCCC3=O)CC2)cc1)C1CCCCC1 763596513 QZUWZWMVNIYLEM-UHFFFAOYSA-N 426.605 4.142 10 20 IICD COc1cccc(C[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2)c1 765245232 OPQFCAVZROYEJE-IGKIAQTJSA-N 443.591 4.471 10 20 IICD CC(C)(C)OC(=O)N1CCC(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 765876921 GKDBVBAFZUIDIS-NRFANRHFSA-N 446.588 4.327 10 20 IICD CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCO2 768512588 RLYBSIBABBIWGE-QHCPKHFHSA-N 428.598 4.048 10 20 IICD COc1cc(Br)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O 770378082 GNGLDRPDBFAURM-IUODEOHRSA-N 429.355 4.041 10 20 IICD C[C@H](NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(N(C)C)cc1 773619626 NCEAZNQBBPUSNI-MOPGFXCFSA-N 437.588 4.130 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 773751008 YYWWQXGMEQDXJH-AWEZNQCLSA-N 436.533 4.261 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 773769442 VDYAFIUFXLPMOK-MRXNPFEDSA-N 438.549 4.482 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(C(F)(F)F)n1 775743739 HKTUAJLEFGZTGA-UHFFFAOYSA-N 448.367 4.278 10 20 IICD COc1cc(Br)cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O 779160775 ZTDQDSNSRCYLQN-UHFFFAOYSA-N 434.256 4.216 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)c1 780960849 UIDJFLAQCYYMRD-DEOSSOPVSA-N 445.515 4.453 10 20 IICD Cc1cccc([C@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C(C)(C)C)c1 789855679 VYTBLUNHLDDLQW-QFIPXVFZSA-N 439.625 4.068 10 20 IICD c1ccc(CN2CCc3cc(CNCc4ccnc(OC5CCOCC5)c4)ccc32)cc1 796299922 MKLRWGJKJWFRTR-UHFFFAOYSA-N 429.564 4.492 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O 800894726 HWPUQOUNGIUVEQ-UHFFFAOYSA-N 432.973 4.280 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc2oc3ccccc3c2c1 807386687 FEGRCOUOXRHRGQ-UHFFFAOYSA-N 439.265 4.309 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1 807671369 QKKIMPGVJBSRNP-VWLOTQADSA-N 444.579 4.100 10 20 IICD CCSc1cccc(F)c1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 810328832 FFAMWCLRBOFMES-UHFFFAOYSA-N 449.548 4.318 10 20 IICD COc1ccc(C(F)(F)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 857455702 HCJPPQQJSCKQDM-HNNXBMFYSA-N 426.410 4.174 10 20 IICD O=C(COC(=O)[C@@H]1CCCCN1c1ncccn1)Nc1ccc(N=Nc2ccccc2)cc1 914659739 DOKYXCIUFFUWSF-NRFANRHFSA-N 444.495 4.433 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 916220756 ZMRFRBJRXKEFSP-HSZRJFAPSA-N 435.547 4.481 10 20 IICD Cc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 916968610 YFUFOARCWLSDPN-JXALWOEJSA-N 439.575 4.201 10 20 IICD O=C(COc1ccc(Br)cc1F)N(Cc1ccco1)Cc1ccccc1O 917361557 RHHVJMYFZAKTOU-UHFFFAOYSA-N 434.261 4.495 10 20 IICD CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 918185546 FYKITLVIAMFHGE-HSZRJFAPSA-N 426.630 4.122 10 20 IICD CC(C)Oc1cccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918220367 XEIRVWFCXMPCFE-QZTJIDSGSA-N 429.536 4.226 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2Cc2ccccc2Cl)c1 919954883 RRPUHOWQAHBGFE-QHCPKHFHSA-N 442.987 4.288 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)C)c3)C2=O)cc1OCC(N)=O 1319160290 CVJZOHSEHDGPJH-GRSHGNNSSA-N 442.562 4.089 10 20 IICD CO[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 1331609588 JYTCWBUPZWBSQU-FQEVSTJZSA-N 437.462 4.083 10 20 IICD CN1CCN(c2ccc(CN[C@H](CCO)c3ccc(Cl)c(Cl)c3)cc2F)CC1 1347178978 MGVNDEZRQFQKQJ-HXUWFJFHSA-N 426.363 4.098 10 20 IICD CC1(C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CCC1 1785810971 AYAYFJWACPWANW-UHFFFAOYSA-N 444.535 4.104 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 237542074 RSUNYASMWZKNST-SFHVURJKSA-N 434.515 4.160 10 20 IICD CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1 547046959 YVSVHNRKUMOEHK-UHFFFAOYSA-N 447.520 4.150 10 20 IICD COc1ccc([C@H](O)CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 725884062 MHDPALZSUFHNIC-OAQYLSRUSA-N 443.341 4.329 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)COc1cccc(C)c1 726856718 MWWLOOBPQVIBBW-SFHVURJKSA-N 426.538 4.182 10 20 IICD COc1cc(Br)c(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 727173576 ZBXILIAQRDKJJW-UHFFFAOYSA-N 448.361 4.066 10 20 IICD Cc1cccc(-n2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c2C)c1 728836847 FXVSDNOUKXWKBU-UHFFFAOYSA-N 431.462 4.155 10 20 IICD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccc(OC)c2O)cc1 729859873 VLEJYUYCRYCQGO-UHFFFAOYSA-N 443.503 4.251 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1csc2ccccc12 730030960 USZJBMRJZPGZKT-WMZOPIPTSA-N 436.581 4.163 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N4CCCCC4)cc3)cc2F)CC1 730134103 NJRATANJNZYMCW-UHFFFAOYSA-N 439.579 4.280 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCSC[C@@H]1c1ccc(Cl)cc1 734942380 NGVAQRNUIMMBJF-OAQYLSRUSA-N 431.989 4.176 10 20 IICD COc1cc(Cl)ccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742748992 CIUCEOIJBUZGGP-IBGZPJMESA-N 447.963 4.410 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cnc(-c3ccccc3)[nH]2)NC(=O)OC(C)(C)C)cc1 742750819 QDCLKLRLIJIALX-FQEVSTJZSA-N 449.555 4.139 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1CN1CCOCC1 743115944 XMSSQLAOVQCYRQ-UHFFFAOYSA-N 448.361 4.041 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cn2)c1 743958415 VRAIRCLPUVWJKS-UHFFFAOYSA-N 445.519 4.276 10 20 IICD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)C1 745299057 VEWMVLRMNVOOLU-CYFREDJKSA-N 437.584 4.445 10 20 IICD Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)n(-c2ccc(C(F)(F)F)cn2)n1 746706376 QODSAUHBWPKEMN-UHFFFAOYSA-N 444.461 4.299 10 20 IICD CC[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl 748961235 SXLUIOLBXCMEII-XLIONFOSSA-N 431.964 4.394 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1F 753556019 BNUDLUVUHGILPS-UHFFFAOYSA-N 439.453 4.422 10 20 IICD CCOC(=O)c1c(NC(=O)CCN[C@H](C)c2cnn(C)c2)sc(C)c1-c1ccccc1 754773101 RLAVTZVJPJPQCN-OAHLLOKOSA-N 440.569 4.313 10 20 IICD C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Br)cc(Br)c1O 756357156 KZICBCRDRPAMPU-SNVBAGLBSA-N 444.171 4.086 10 20 IICD CCN1CCN(Cc2ccc(CN[C@H](C)c3ccc(Br)cc3O)cc2)CC1 756432432 ICRIZYLAKDDGCP-QGZVFWFLSA-N 432.406 4.143 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)cc(Cl)c1O 756451335 ZFMMWVUJBNLNMY-ZDUSSCGKSA-N 425.754 4.496 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 757054452 ZCLVHAVQDHKTSN-LLVKDONJSA-N 447.841 4.297 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1cc(Oc2cccc(Br)c2)ccn1 762268725 SJNMYHZNZBXICR-UHFFFAOYSA-N 429.270 4.020 10 20 IICD CCCc1c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(C)cc1 764626159 YHSCORQYDKQSOL-UHFFFAOYSA-N 447.583 4.186 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccc(Cl)c2)n(C)c1=S 764863328 CZSPOXRCVQMCSB-UHFFFAOYSA-N 444.004 4.198 10 20 IICD O=C(CCCOc1ccccc1Br)NCc1cccc(Br)c1O 765753651 OTUGMIYJPVLJMP-UHFFFAOYSA-N 443.135 4.393 10 20 IICD CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 767109834 XJKINAGXBSJILT-DGIBIBHMSA-N 434.370 4.077 10 20 IICD C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc(O)c1 768696708 KYEUZHYHZRLGTH-VLURKWGBSA-N 432.592 4.313 10 20 IICD CSC[C@@H]1CCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769322466 LGPHNJZXWYDFAL-JMRXEAOASA-N 426.654 4.084 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1cc(Br)sc1Cl 771180068 KPLMWMXLJVIUAJ-UHFFFAOYSA-N 433.827 4.081 10 20 IICD COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3cc(OC)ccc3O)n2)cc1 775369295 MYXJQGQTNACLED-UONOGXRCSA-N 427.526 4.211 10 20 IICD Cc1cccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl 775696404 KKHMYACZAYTLLU-UHFFFAOYSA-N 430.904 4.197 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc4c(C)ccnc34)n2)cc1 777665611 MSTGUIKHSFQUGC-UHFFFAOYSA-N 439.518 4.254 10 20 IICD CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1 778619891 AYRBCPWVGFSJEQ-OITUCODZSA-N 435.584 4.222 10 20 IICD COc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC 782896611 RLJQCVRYZIRKEM-UHFFFAOYSA-N 426.513 4.018 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)n2)s1 783946166 OSAOUVGWCVXQOE-UHFFFAOYSA-N 431.511 4.328 10 20 IICD COc1ccccc1-c1nc(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)no1 792183786 DDMVHNYDFPLBCV-UHFFFAOYSA-N 444.875 4.392 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)C(C)(C)C)CC3)cc2Cl)C1 799867273 GFYSZONHRMKRDI-KRWDZBQOSA-N 449.039 4.413 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2Cl)C1 799994847 GWLZCPVOAKJDBQ-ZWKOTPCHSA-N 435.996 4.056 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 800047408 KYFSJCGSYHPWEV-UHFFFAOYSA-N 442.924 4.355 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800494281 VRFWFEGRSBJCRI-IAGOWNOFSA-N 436.021 4.335 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](c2ccnn2C)C1 801949341 BZLMICZAURVYIZ-FQEVSTJZSA-N 429.572 4.490 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3COC(=O)NC(C)C)ccc21 804927633 DQRABSHDQSTAGN-FQEVSTJZSA-N 429.561 4.034 10 20 IICD COc1ccccc1O[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 804968428 DFOWZNJHCUOSBH-OAQYLSRUSA-N 441.597 4.001 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806353431 IXHLTYMQSCLNRH-LLVKDONJSA-N 446.356 4.098 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C1CC1 806992515 HJXOPTNEFWDFOD-UHFFFAOYSA-N 438.572 4.422 10 20 IICD CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC 807031184 UYSHJGAIAFGABQ-IBGZPJMESA-N 441.572 4.223 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)cc2Cl)C1 807209908 SJZSAHIKSWFENA-OIISXLGYSA-N 447.929 4.279 10 20 IICD Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1ccc2ncccc2c1 807840030 VLHGFFYPYGFTIQ-UHFFFAOYSA-N 428.279 4.066 10 20 IICD Cc1ncsc1/C=C\C(=O)N1CCN(C(=O)/C=C/c2scnc2C)c2ccccc21 809239347 VTZZMYGOVMXMOW-FKJILZIQSA-N 436.562 4.323 10 20 IICD CC(C)c1scnc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 810447007 HUDFVBRRQHLZEW-QGZVFWFLSA-N 432.590 4.328 10 20 IICD CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812031387 ZYVZWVRQMBXESG-UHFFFAOYSA-N 430.556 4.182 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@](C)(OC)CC1 812106380 JBLHLKHLZCPDOE-RUZDIDTESA-N 437.588 4.394 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OCC(F)(F)F)cn1 857455919 IYKLZDJWVUSOJY-ZDUSSCGKSA-N 445.388 4.023 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 887568014 RAUHKLRYRVPABY-QHCPKHFHSA-N 429.564 4.124 10 20 IICD COCCOc1ncccc1CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 915633978 ORIXPPICSKIXIK-UHFFFAOYSA-N 427.932 4.027 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2)C1 917834341 WYYYFDIRIARZPL-FQEVSTJZSA-N 447.510 4.250 10 20 IICD CCCCN(C)CC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918218968 AANWQGCJIWVDPP-PMACEKPBSA-N 448.627 4.093 10 20 IICD COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1Br 921237325 BKPXNQZWOVPOCG-LJQANCHMSA-N 447.373 4.345 10 20 IICD CCc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cs2)cc1 1317897025 KANCBWGRGIDBSF-HXUWFJFHSA-N 448.592 4.004 10 20 IICD COc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 1325026281 KYNPRKKXTBCZGI-GBESFXJTSA-N 443.563 4.221 10 20 IICD CC(C)(C)c1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 1337883292 NIOQVUSMIHKUBQ-UHFFFAOYSA-N 425.548 4.228 10 20 IICD O=C(/C=C/C1CC1)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775727 PHOZPDUMEXQFCX-RUDMXATFSA-N 426.900 4.465 10 20 IICD CC(C)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1845502058 JSRQDGBZPCOTNP-UHFFFAOYSA-N 442.943 4.081 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccoc2)cc1 1848121007 DTDSBFSNJJYJNG-ZMFQYLAGSA-N 429.520 4.216 10 20 IICD COc1ccc(CN2CCC(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1 109372133 HJVSGYAMKHGIKM-UHFFFAOYSA-N 432.568 4.140 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(Br)ccc2O)cc1 109873896 JNRCZAIBFAGUPM-AWEZNQCLSA-N 441.391 4.036 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc(N3CCCCC3)cc2)s1 237022305 NEXSCAFHJYSHGD-UHFFFAOYSA-N 435.659 4.101 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc(OC)c(OC(F)F)c3)ccc21 483551982 GGVJSMZIHHXDMI-UHFFFAOYSA-N 446.494 4.487 10 20 IICD COc1ccc(C(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)cc1OC 726962426 XGAHWPYQICMDLR-UHFFFAOYSA-N 446.503 4.267 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(F)c(Br)c3)SC2=S)cn1 726986261 MGMCXZDURVWTTK-QPEQYQDCSA-N 425.304 4.398 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1OC 727251445 YXGXYAIGEAOTKP-UHFFFAOYSA-N 428.894 4.421 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3F)C3CC3)cc2F)C[C@@H](C)O1 727601418 RLWVKDMHOYUOMB-IAGOWNOFSA-N 429.511 4.453 10 20 IICD CC[C@H](c1ccccc1)c1nnc(NC(=O)NCc2ccc(N3CCOCC3)cc2)s1 730120413 LMNRBKRRQZGZCJ-HXUWFJFHSA-N 437.569 4.238 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)CC1 731016114 NIIQDFVRPXDYLO-DEOSSOPVSA-N 433.596 4.020 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 731045675 BWCCCHKRYJKWPR-RUZDIDTESA-N 431.536 4.121 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(N2CCCCC2)cc1 731998310 TVFGNAZETFVBSC-UHFFFAOYSA-N 425.457 4.194 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(C(F)(F)F)ccc3F)SC2=S)cc1 733369536 JFPBESYKWZFRIN-ZSOIEALJSA-N 426.416 4.349 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](c2cccc(Br)c2)C1 740919400 QULOHSSNYBHJNO-NRFANRHFSA-N 442.357 4.108 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(c4ncnc5sccc45)C3)cc2)CC1 742648726 AFNHDZLYZJEFSO-FQEVSTJZSA-N 449.624 4.460 10 20 IICD CC(C)n1ncc2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cnc21 742800381 QSBFPZNOAVTWAJ-KRWDZBQOSA-N 429.471 4.012 10 20 IICD CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 743721877 AWJUKNOJMBOUKW-QFIPXVFZSA-N 438.572 4.154 10 20 IICD O=C(NCCN1CCN(c2ccccc2)CC1)N(Cc1ccccc1O)C1CCCCC1 745518478 LYGKBYNTBWTXHD-UHFFFAOYSA-N 436.600 4.059 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1ccc(F)cc1 746135422 OENMKMPOXOSQMR-KDURUIRLSA-N 445.554 4.105 10 20 IICD C[C@@H](NC(=O)c1ccccc1CSC1=NCCS1)c1ccc(N2CCOCC2)cc1 747366735 LFNUULUOPFZJTH-QGZVFWFLSA-N 441.622 4.350 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 751012357 TYIJUWGTFIWQNT-UHFFFAOYSA-N 432.524 4.293 10 20 IICD O=C(Nc1cccc2ccsc12)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752401453 UJJASJWGGWPXLA-UHFFFAOYSA-N 445.491 4.226 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 755128271 UYYMRSIVJHTDSH-MBOZVWFJSA-N 429.511 4.278 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl 755203007 QZUGWGMHBCIBPR-UHFFFAOYSA-N 432.101 4.059 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3cc(Br)ccc3O)cc2F)CC1 756553214 KCLKFHVWJWNPNN-HNNXBMFYSA-N 436.369 4.287 10 20 IICD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 756967549 AFHCLJDQHLQZKN-SFHVURJKSA-N 443.563 4.272 10 20 IICD O=C([C@H]1COc2ccc(Br)cc21)N(Cc1ccco1)Cc1ccccc1O 759381225 FNGCSXVLTDTMKH-SFHVURJKSA-N 428.282 4.453 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 761880303 LHGHFWSAJIKHRZ-UHFFFAOYSA-N 447.583 4.358 10 20 IICD C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1Cl 765322597 MCYDZEBYHGTNSQ-UZUQRXQVSA-N 443.975 4.145 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 765760857 OCSXVFMICHAQKM-UHFFFAOYSA-N 442.422 4.143 10 20 IICD COc1ccc(OC)c(NC(=O)C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 773609559 DIYANYCLKHSSQC-KRWDZBQOSA-N 434.492 4.138 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1F 775053351 VYTBDCLQXSXTOV-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COC(=O)c1cccc(-c2nc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cs2)c1 775259477 USJFKEDANRCMSZ-QGZVFWFLSA-N 437.565 4.284 10 20 IICD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 775411967 SNWUSHHMRJUSDQ-MRXNPFEDSA-N 443.975 4.144 10 20 IICD CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C 777652123 IPPGIRYIENIZRV-KRWDZBQOSA-N 435.565 4.296 10 20 IICD O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897438 WRSFIEABZIUIHF-UHFFFAOYSA-N 436.487 4.017 10 20 IICD CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 785025378 DUUITQQFNXIXNS-YADHBBJMSA-N 435.528 4.288 10 20 IICD CSCCCN1C(=O)/C(=C/c2cccc(I)c2)SC1=S 790587545 WPSXAHGYCVPJPC-XFXZXTDPSA-N 435.377 4.246 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1NC(C)(C)C 799263250 RXWYMQWEKINCGR-UHFFFAOYSA-N 448.361 4.352 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Oc2ccccn2)cc1 807513230 VEEBHDWGGUTSCX-UHFFFAOYSA-N 432.263 4.141 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1[N+](=O)[O-] 809723913 RRAPVRZRMMBRRA-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812043717 YECOLZVIPMLVPK-UHFFFAOYSA-N 435.572 4.219 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)NCc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 849091156 WJWNEZOXVDRZFB-GASCZTMLSA-N 438.469 4.272 10 20 IICD COc1cc(CNc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c(O)c(C(C)(C)C)c1 863994846 FNLXMHUHVWEDJS-UHFFFAOYSA-N 446.491 4.151 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(OC)c(OC)cc3F)n2)s1 914577520 PWMURKDDWGTWDJ-UHFFFAOYSA-N 428.532 4.391 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)cc3F)n2)s1 914791943 ZMQKMMFDMKSZRV-UHFFFAOYSA-N 425.532 4.332 10 20 IICD CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)C)c1 914903281 IEFNYFUSDUMLRO-QHCPKHFHSA-N 448.523 4.268 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 916222611 HVDGFXFWTRSRQW-UHFFFAOYSA-N 446.477 4.080 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)CC1 917020539 RPGGGLSDBNJKGO-UHFFFAOYSA-N 448.655 4.198 10 20 IICD CN(Cc1cnn(-c2ccccc2)n1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918436922 FVAARYWXGURYEB-UHFFFAOYSA-N 439.479 4.280 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(CCN4CCOCC4)cc3)c2C)cc1 918680505 PHFSMHYKTOZTTR-UHFFFAOYSA-N 433.552 4.230 10 20 IICD CCN(CC)C(=O)c1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 919904586 GYJDOPOKRVDZEG-UHFFFAOYSA-N 426.586 4.044 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1nn(-c2ccc(F)cc2)cc1Br 1117507167 CFOBWDVWOSTMEW-UHFFFAOYSA-N 436.628 4.216 10 20 IICD O=C(CCc1nc2ccccc2s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1317940549 KVXAZSNTOVDRCZ-UHFFFAOYSA-N 449.498 4.401 10 20 IICD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2ccc(N3CCCC3)cc2)N1 1324230162 BJZPVYVENSIURH-HHHXNRCGSA-N 427.548 4.496 10 20 IICD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cnc1C 1842154249 DFGKODXUNMCRFX-UHFFFAOYSA-N 442.563 4.237 10 20 IICD COc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCCC(=O)O 16912231 VXZCLJRTGIIOAV-XDHOZWIPSA-N 426.494 4.248 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4ccc(Cl)cc4)n(C)c3=S)CC2)cc1 108217673 AVQDQMXCOLIGQF-UHFFFAOYSA-N 444.004 4.450 10 20 IICD COc1ccc(N2CCCN(C(=O)CCC(=O)CCC(=O)c3ccc(C)s3)CC2)cc1 108580869 RSJWJSFGBQWPSW-UHFFFAOYSA-N 442.581 4.116 10 20 IICD CCN(CC)[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccsc1 110462224 GZWGMIVTVAZNFB-QFIPXVFZSA-N 430.618 4.108 10 20 IICD O=S(=O)(c1ccccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F 301476056 SQLZYWJKYUGIME-CYBMUJFWSA-N 432.439 4.365 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)n(C)c2ccccc12 472783621 DCCUKQORVGBTHY-UHFFFAOYSA-N 429.524 4.186 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cc2ccccc2)ccc1O 725887205 IWBRGUVVVMCTON-UHFFFAOYSA-N 434.511 4.013 10 20 IICD Cn1ccnc1[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(F)c1 726086611 LRDZWQOUKNEEAZ-JOCHJYFZSA-N 434.471 4.359 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCn2c(=O)oc3ccccc32)cc1 728839274 BEFWYFKKICTUBV-UHFFFAOYSA-N 435.446 4.032 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 729036052 RFHWILKMHLYWFC-AWEZNQCLSA-N 444.484 4.255 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccncc4)cc3)cc2)CC1 731131572 NUOBWIIVWAOJAJ-UHFFFAOYSA-N 444.535 4.365 10 20 IICD O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731859480 VTXYNDKTEFWUJG-XUVXKRRUSA-N 430.342 4.466 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(F)c1 732910485 AEMLAXNOFDIWON-UHFFFAOYSA-N 448.476 4.083 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(OCC4CCOCC4)cc3)CC2)cc1 737027115 NCCYRURIYQEIKL-UHFFFAOYSA-N 439.556 4.245 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1F 737382392 SBOSNBCFTHBRPM-UHFFFAOYSA-N 425.894 4.362 10 20 IICD CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(N2CCOCC2)cc1 741730833 UJORUELHCJUAPI-UHFFFAOYSA-N 445.563 4.173 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(Br)s1 742554311 OQGAGLZSXJHLQX-ZDUSSCGKSA-N 425.417 4.484 10 20 IICD Cc1cc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c(C)n1-c1ccccn1 742876270 SJQDDRNSTNIWGE-OAHLLOKOSA-N 428.330 4.449 10 20 IICD O=C(Nc1ccccc1N1CCCC1=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743082113 MXAQQUSWNYWJLU-MRXNPFEDSA-N 444.482 4.205 10 20 IICD COCCn1c(C)cc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1C 743282051 IWVHATFAQGAXIY-RXWSAZGZSA-N 428.579 4.476 10 20 IICD CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 743629484 TUPNMBPKPJOQOC-UHFFFAOYSA-N 442.869 4.039 10 20 IICD C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](OC1CCOCC1)c1ccccc1 747402317 AMZISQDCGJVYKV-KBMIEXCESA-N 437.584 4.194 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1C 748672670 ANZYPNLKZQXXKR-UHFFFAOYSA-N 427.551 4.355 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3c(F)cccc31)c2[N+](=O)[O-] 748681081 IRTMNDPPGMNJMT-UHFFFAOYSA-N 430.391 4.102 10 20 IICD O=C(c1cc2c(C(F)(F)F)cc(O)nc2o1)N(Cc1ccccc1O)C[C@H]1CCCO1 752151193 VVPZLRBRRHHKMQ-CYBMUJFWSA-N 436.386 4.079 10 20 IICD Cc1cc(C(=O)N2CCC(Cn3ccnn3)CC2)c(C)n1-c1ccc(Br)cc1 753209142 ZVTVWLHEXVCQTB-UHFFFAOYSA-N 442.361 4.001 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc(C(F)(F)F)c1 753243055 KMSPDJVFMNFTAJ-MRXNPFEDSA-N 434.462 4.037 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C(C)C 753468685 WWXWCMXTPCICOR-GASCZTMLSA-N 429.536 4.332 10 20 IICD COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)NCc3ccc(N(C)C)cc3)s2)cc1 754826906 BYZKHCSFQNEDJL-INIZCTEOSA-N 438.597 4.160 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c1 754876632 DWBYADLGNRAJDL-NWDGAFQWSA-N 425.298 4.294 10 20 IICD C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)cc(Cl)c1O 756637026 YXGUUBGUJZZCHZ-NSHDSACASA-N 432.767 4.204 10 20 IICD C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(Cl)c1O 757655737 FYJGEQYRGFZUGZ-YVEFUNNKSA-N 438.753 4.045 10 20 IICD C[C@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cc([N+](=O)[O-])ccc1O 757667749 YFUWGSGWBOLUBI-AWEZNQCLSA-N 431.493 4.242 10 20 IICD COc1ccc(COCCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 760376572 HQMIZLYZNAIWPZ-RTBURBONSA-N 444.547 4.061 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(Cc3ccco3)c3ccccc3)sc2n1 762214627 OZBTWBBSNSBCSL-UHFFFAOYSA-N 435.505 4.479 10 20 IICD O=C(N[C@@H](c1cccs1)C1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769652390 IDOJNOBRLGWNBK-GOSISDBHSA-N 434.564 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Br 770883371 LOJWGISYRRSFQD-UHFFFAOYSA-N 443.263 4.235 10 20 IICD CCc1cnccc1[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 773504162 FXDIXBKYSSNRRS-OAHLLOKOSA-N 436.478 4.060 10 20 IICD O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O 774720924 ACPIVHGUJLELKU-UHFFFAOYSA-N 447.318 4.180 10 20 IICD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(Br)cc(C)c2O)c1 775759128 WNFVVJXEBVCCCI-CQSZACIVSA-N 441.391 4.293 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)[C@@H](c3ccco3)C2)cc1 775832339 ZEVUVKZNRGASEM-MHECFPHRSA-N 446.551 4.383 10 20 IICD COc1ccc(Cn2cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cn2)cc1OC 778771468 HTYYCDWXCHQZHP-UHFFFAOYSA-N 448.567 4.115 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2Nc2c(F)cccc2F)c1 779157603 YDTWYSWQPXZNKZ-ZDUSSCGKSA-N 441.434 4.239 10 20 IICD CSCCCCCCNC(=S)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 782195626 ILEVLGOOWIWKPL-IAGOWNOFSA-N 427.655 4.327 10 20 IICD CCOC(=O)c1c(C)csc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784059581 OIEWMFCONRRFLL-UHFFFAOYSA-N 429.542 4.120 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 784107743 GRPLLNYSDPVIPH-UHFFFAOYSA-N 443.551 4.494 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 787463505 HTRAKGJCMSQADD-IAGOWNOFSA-N 447.963 4.473 10 20 IICD Cc1oc2c(CN3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1 790391568 NLBRZUZCZJTFOX-HKJSJKENSA-N 435.520 4.242 10 20 IICD COc1ccccc1-c1nc(C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)no1 790500810 BBRBKLKGUZVINR-QGZVFWFLSA-N 449.555 4.461 10 20 IICD CCc1ccnc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 798064777 GLOUSVDCJRIXEE-SFQUDFHCSA-N 431.608 4.003 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(CC(F)(F)F)CC3)cc2Cl)C1 800049580 QZWGBGNNHZFLTA-HNNXBMFYSA-N 431.930 4.467 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 802609597 GFNKPZMJAOMSII-UHFFFAOYSA-N 449.555 4.038 10 20 IICD CC(C)OCc1nc([C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 811869581 RUGCVKLWDYSIGC-KRWDZBQOSA-N 429.565 4.324 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 813241560 HPQDDQPLWWANON-LJQANCHMSA-N 437.588 4.354 10 20 IICD C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 815715808 VOEJMTZQLOUTQN-DLBZAZTESA-N 440.494 4.195 10 20 IICD COc1ccc(NC(=O)OC(C)(C)C)c(NCc2ccc(N3CCN(C)CC3)cc2)c1 816664648 YODKBKXOVKGXDL-UHFFFAOYSA-N 426.561 4.406 10 20 IICD Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nn1-c1ccccc1 914491364 IPHBRZFAQHMGNY-UHFFFAOYSA-N 442.519 4.043 10 20 IICD C[C@H]1CN(c2ccc(CN=c3nc(-c4ccncc4)[nH]c4ccccc34)cc2F)C[C@@H](C)O1 917086409 JYERTZIACFHMBB-HDICACEKSA-N 443.526 4.479 10 20 IICD Cc1cc(CC(=O)Nc2ccccc2OCCC(N)=O)c(C)n1-c1ccc(Cl)cc1 917690323 XIIWJAQYZCAOLI-UHFFFAOYSA-N 425.916 4.183 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(-c4csnn4)cc3)cc2F)C[C@H](C)O1 919913617 VLDCJMCEMDEHME-GJZGRUSLSA-N 441.532 4.280 10 20 IICD Cc1cc(C(=O)NC2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)no1 1116341593 CWJONZKYZCTWOL-UHFFFAOYSA-N 446.511 4.231 10 20 IICD CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1254056841 JSQILNDOJAPSKO-UHFFFAOYSA-N 432.929 4.499 10 20 IICD Cc1cc(CN2CCCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)no1 1325093422 GKAHIFLSLORTOQ-UHFFFAOYSA-N 426.948 4.392 10 20 IICD Cn1nc(-c2ccco2)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1339244785 ZWISCFKZBAXEKT-UHFFFAOYSA-N 431.443 4.072 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(Nc2ccccc2F)sc1=S 16878600 QWXJESNSVVCILS-UHFFFAOYSA-N 445.589 4.483 10 20 IICD CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccsc1 71932375 RWEDBQPATIKIBA-NRFANRHFSA-N 432.659 4.184 10 20 IICD COc1ccc(C(=O)N2CCC(NCc3ccc(N4CCCCC4)cc3)CC2)cc1OC 237484993 VITGRTWLJOAUJX-UHFFFAOYSA-N 437.584 4.089 10 20 IICD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 437009084 ZIHXKWDXHGMVIM-UHFFFAOYSA-N 433.556 4.477 10 20 IICD Cc1c(CNC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n(C)c2ccccc12 472240715 PAYTXQCUVMALLR-UHFFFAOYSA-N 437.519 4.122 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)ccc21 728637776 PXVLPWLJNMIZNL-SFHVURJKSA-N 440.515 4.420 10 20 IICD CN(C)c1ccc(CN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)CC(F)(F)F)cc1 728904771 SYNDLNNRBGILPQ-OUKQBFOZSA-N 446.473 4.010 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3nc(C(C)(C)C)cs3)cc2F)C[C@@H](C)O1 729497070 OOUMHDNXFSOXSD-GASCZTMLSA-N 434.581 4.193 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)n2)cc1[N+](=O)[O-] 730072989 JDGLORVYVSEHEO-GFCCVEGCSA-N 431.495 4.151 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)c(F)cc3F)n2)s1 732525016 AXCIJSOOTGHALH-UHFFFAOYSA-N 444.506 4.300 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733850262 FOCANGRVBGAFKI-HXUWFJFHSA-N 448.489 4.108 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc4cccnc34)n2)c1 735916204 GXNKEHGMYWPYQU-UHFFFAOYSA-N 427.507 4.176 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)sc2C)cc1 737379776 FXYBUDSACAMFQU-UHFFFAOYSA-N 435.502 4.025 10 20 IICD O=C1[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1 740013358 FIBDRBOVMHXEKX-LJQANCHMSA-N 428.920 4.134 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 743176537 PBSVNLGWOHBURS-OAHLLOKOSA-N 448.361 4.434 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 744372305 DCORORGCDBVKGJ-ZDUSSCGKSA-N 425.819 4.248 10 20 IICD COc1cccc(Oc2ncccc2CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 745837211 ZLINHDYLVIUAIH-UHFFFAOYSA-N 433.508 4.466 10 20 IICD COCCN(Cc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 746219203 UCVXYVXYKFGQTL-NRFANRHFSA-N 425.573 4.059 10 20 IICD C[C@@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 749221299 FQKYMXCLHUPMFA-IBGZPJMESA-N 434.540 4.318 10 20 IICD COc1ccc(N2CCN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)cc1F 752527870 UCHHIUFMHXMIFV-UHFFFAOYSA-N 449.404 4.471 10 20 IICD COc1ccc(N2CCN(C(=O)c3cnc4ccccc4c3C(F)(F)F)CC2)cc1F 753738864 MIEACQRMMRZREZ-UHFFFAOYSA-N 433.405 4.364 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccccn4)ccc3Cl)cc2)C1 754880062 BNGUYMIKGBPQJW-LJQANCHMSA-N 448.954 4.034 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3C[C@H](C)c4c(F)ccc(O)c43)CC2)cc1 756498162 WBMQRLGUNAKFKS-MGPUTAFESA-N 432.561 4.132 10 20 IICD C[C@H](NCc1ccc(OCCCN(C)C)cc1)c1cc(Br)c(F)cc1O 756537035 XLSAVJGAIGHUQX-AWEZNQCLSA-N 425.342 4.475 10 20 IICD O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(F)c(Cl)c1F 758162523 NARVPESWFJPSHX-UHFFFAOYSA-N 432.615 4.130 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc1 758414503 AWHSLYNVQRUCPC-IGWPVBGESA-N 433.576 4.132 10 20 IICD CC1CCN(Cc2ccccc2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 761002792 GTNGSSXAMCIGJQ-UHFFFAOYSA-N 441.959 4.242 10 20 IICD COc1cc(Cl)cc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1O 761206679 NCLRVHBWNGNYAW-UHFFFAOYSA-N 443.897 4.115 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1Br 764254706 QOTVETNDNSPQBN-UHFFFAOYSA-N 438.753 4.156 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nnn1-c1ccc(F)cc1 765125127 CQEIYYXZWHQZGI-BBWFWOEESA-N 441.526 4.318 10 20 IICD Cc1cc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)C)cc1 768462346 AUVTYPGGNNCMNJ-UHFFFAOYSA-N 438.440 4.079 10 20 IICD Cc1ccc([C@H](C)N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 769671389 JDYYOGRNKQLHNE-HNNXBMFYSA-N 430.551 4.396 10 20 IICD COCc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 770884150 VHRJYMBUPIOBMJ-UHFFFAOYSA-N 429.564 4.450 10 20 IICD CS[C@@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 772249102 HSRSNMFEWIHZBX-XYGUXCPDSA-N 440.681 4.474 10 20 IICD COc1cccc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1O 772548403 XCUNKXUSGWFQAS-UHFFFAOYSA-N 430.333 4.253 10 20 IICD OC[C@H]1c2ccccc2CCN1Cc1cc(Br)cc(Br)c1O 775700212 IWPFDFXFPHJQMV-INIZCTEOSA-N 427.136 4.009 10 20 IICD CSc1nnc(CCCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1C1CCCC1 776131282 IPHMOYGKHHNREJ-MRXNPFEDSA-N 430.622 4.174 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 779023905 WXBWEWHECRIVQV-FYYLOGMGSA-N 431.621 4.068 10 20 IICD CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)/C=C\c1ccc(O)c(O)c1 779518108 WPNWJRQUFMODMJ-WMZJFQQLSA-N 428.286 4.465 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(N)cc1 783487995 ZYKQYCSFCDNAIJ-HNNXBMFYSA-N 446.532 4.046 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 784029259 CLMRDTICABRLCD-UHFFFAOYSA-N 440.887 4.005 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786335447 KBAONOJPASDOSU-UHFFFAOYSA-N 439.943 4.150 10 20 IICD CN(c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1)C1CCCCC1 793458588 YZXMEZGYYWRHLY-JOCHJYFZSA-N 426.582 4.033 10 20 IICD CSc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 800397506 RJPPDPQANWLTOB-FGTMMUONSA-N 445.604 4.128 10 20 IICD Cn1cc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)s2)cn1 800885237 XYUGTZMCRZSKPG-UHFFFAOYSA-N 436.503 4.294 10 20 IICD CCc1ccc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)cc1 806496076 OVEYBBCDPYANSC-RPWUZVMVSA-N 448.611 4.040 10 20 IICD O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 811476109 OSFAPODLHOKBDJ-UHFFFAOYSA-N 428.291 4.292 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 811822264 DHCFRALXHRYPAM-UHFFFAOYSA-N 428.491 4.073 10 20 IICD C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 812391021 QDJMPCUFWXMMKW-IAGOWNOFSA-N 442.947 4.450 10 20 IICD CC(C)(C)S(=O)(=O)N1CCC(N[C@H](CCc2ccccc2)c2ccccc2O)CC1 815620607 VXQMGGLYFPKVPX-JOCHJYFZSA-N 430.614 4.248 10 20 IICD COc1cc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)c(OC)cc1Cl 919803094 RYQPNRFTMNYNDA-UHFFFAOYSA-N 426.847 4.350 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Br)cc3C(N)=O)ccc21 1251602076 SYMBKNYFDMDABI-UHFFFAOYSA-N 444.329 4.018 10 20 IICD C[C@@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cc(Br)ccc1O 1320252401 FIDAFTWTDKPETL-LLVKDONJSA-N 431.252 4.254 10 20 IICD CC(=O)Nc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 71852980 DPPHEMOVVXJKGC-UHFFFAOYSA-N 446.536 4.003 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F 726709766 RWCAKVBFLLGFIL-KRWDZBQOSA-N 441.482 4.170 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc(OC)c1OC(C)=O 727864119 SGFFMBUXCREVRO-GZTJUZNOSA-N 449.575 4.135 10 20 IICD O=C1/C(=C\c2ccccc2OCc2ccccn2)SC(=S)N1CCc1cccnc1 727864201 UFHOOHXVFNQRKM-KGENOOAVSA-N 433.558 4.500 10 20 IICD COc1ccccc1SC[C@@H](C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 728950660 XIJREBHDTMACJI-RBUKOAKNSA-N 443.613 4.320 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 729352599 SFEXGVZPGKXTMN-XMMPIXPASA-N 437.584 4.056 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3ccnc3C)c(F)c2)cc1F 731403182 FJSZDWSQBCBRMJ-UHFFFAOYSA-N 427.499 4.305 10 20 IICD Cc1ccccc1CN1CCC(NC(=O)CN(Cc2ccccc2O)C2CCCC2)CC1 732204216 FVZALSGKPPFEHV-UHFFFAOYSA-N 435.612 4.226 10 20 IICD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCCCSc2nccs2)cc1 733972133 AHJLXFSADIPRLB-UHFFFAOYSA-N 445.541 4.455 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 738459944 IVJVDZGMSVPRAJ-NQIIRXRSSA-N 439.531 4.028 10 20 IICD O=C(Nc1cnn(-c2ccccc2Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 741400451 HWEGHKGESSNABH-GOSISDBHSA-N 426.904 4.444 10 20 IICD Oc1ccccc1CN(C[C@H]1CCCO1)C(=S)NCc1ccc(OC(F)(F)F)cc1 742977935 KZSNYUKGLVNCOI-GOSISDBHSA-N 440.487 4.347 10 20 IICD O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)NCc1c(O)ccc2c1CCCC2 745486482 IQZXXZLJLBROMI-UHFFFAOYSA-N 442.563 4.228 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C[C@H](C)C(=O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 746133192 FBDYMEQAMXDORQ-YESZJQIVSA-N 430.495 4.104 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1csc2ccc(Cl)cc12 751111933 AVPYHUJUEAUDSC-UHFFFAOYSA-N 436.986 4.212 10 20 IICD Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 751930627 ILCAGUMBZOVZKF-CYBMUJFWSA-N 429.929 4.462 10 20 IICD O=C(CSCc1coc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 752151090 FRSSRCIKMMHEFZ-NRFANRHFSA-N 438.549 4.488 10 20 IICD Cc1ccc(Cn2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2=O)cc1 754467613 JCQCBRTVWMLMTM-QFIPXVFZSA-N 447.535 4.124 10 20 IICD C[C@H](NCc1ccc(NC(N)=O)cc1)c1cc(Br)cc(Br)c1O 756392081 JVPWRRPKJPBGBN-VIFPVBQESA-N 443.139 4.259 10 20 IICD C[C@H](NC[C@@H](O)COc1ccccc1Br)c1ccc(Br)cc1O 756760194 MXUPAKTZJBPQNL-WCQYABFASA-N 445.151 4.008 10 20 IICD C[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(Br)ccc1O 756849669 DTDUAOJPNCVBSF-CHWSQXEVSA-N 430.306 4.119 10 20 IICD C[C@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 757642239 AVOGYHIJXBAYHT-UESPBHMZSA-N 426.654 4.084 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](CC(C)C)c3nc(-c4nc[nH]n4)no3)c2C)c1 757942421 BWWVZQIUUMXNFC-IBGZPJMESA-N 433.516 4.088 10 20 IICD Cc1c([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnn1-c1ccc(F)cc1 761089460 XEPQXZVLIHPDKL-ZDUSSCGKSA-N 442.878 4.204 10 20 IICD CCn1c(COc2ccc(C)cc2)nn(CN(C)Cc2ccc(N(C)C)cc2)c1=S 764861805 XAYWEOSACCNXJD-UHFFFAOYSA-N 425.602 4.477 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1cccc(Br)c1O 765747015 JUAVWVCUOPKADY-UHFFFAOYSA-N 448.748 4.470 10 20 IICD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)cc1 766236417 DAVVXDQTURZUHE-SFHVURJKSA-N 446.498 4.424 10 20 IICD CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 770385606 IYMBECRQWXAZEA-FQEVSTJZSA-N 449.960 4.199 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@H](OC(C)C)c3ccccc3OC)CC2)cc1 770492822 XJOOTFJIRWFXLD-DEOSSOPVSA-N 441.572 4.092 10 20 IICD CN1CCN(c2ccc(CNCC3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2)CC1 771824911 SBUPECAQLPDVHO-UHFFFAOYSA-N 447.545 4.295 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 772568932 CXKFCAAZWLRXMR-UHFFFAOYSA-N 429.520 4.447 10 20 IICD Cc1coc2ccc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12 773368890 GMWQNALXMSJUTF-INIZCTEOSA-N 443.450 4.066 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773849331 YRTVHJRDVFGCEA-KRWDZBQOSA-N 433.508 4.369 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](C[C@@H]2CCOC2)C1 774193574 SVQUAHDUECRNIC-MSOLQXFVSA-N 437.531 4.105 10 20 IICD Cc1nc(-c2cccc(NC(=O)CN[C@H](C)c3ccc(N4CCOCC4)cc3)c2)cs1 775254487 IZMGVBMURPYSMT-QGZVFWFLSA-N 436.581 4.244 10 20 IICD COc1cc(Br)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Cl 776749076 WKORQPSOKFIAIJ-UHFFFAOYSA-N 427.103 4.271 10 20 IICD CSc1ccccc1CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 777406416 BQQWDWJTULRAMO-FQEVSTJZSA-N 443.613 4.399 10 20 IICD C[C@H](NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 778627048 OVJQFZRBMAQEOI-UWJYYQICSA-N 435.490 4.447 10 20 IICD O=C(CCCc1cccs1)Nc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 783111360 QIASHQNRYVYREB-UHFFFAOYSA-N 439.489 4.160 10 20 IICD C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 785979598 QFZDDOUMNWULAZ-QGZVFWFLSA-N 435.490 4.487 10 20 IICD COc1ccc2ccc(O)c(CN3CCCN(c4nnc(C(F)(F)F)s4)CC3)c2c1 786105554 LTAOFWVVZGHLIQ-UHFFFAOYSA-N 438.475 4.137 10 20 IICD O=C(NCc1ccccc1Br)C(=O)N(Cc1ccccc1O)C1CCCCC1 786814910 FYHFQZBVDRGJNR-UHFFFAOYSA-N 445.357 4.132 10 20 IICD CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccccc1Cl 790564303 GGAMZJPEALTLBK-UHFFFAOYSA-N 438.959 4.496 10 20 IICD CC(C)O[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 794238887 OEDVIUOTZWTOLY-NRFANRHFSA-N 436.474 4.325 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(O)c1 797388290 WYFXFIJFILPVHP-UHFFFAOYSA-N 426.856 4.101 10 20 IICD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 806879172 WGDMKBFJOROQRF-UHFFFAOYSA-N 434.584 4.013 10 20 IICD C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 808197077 BGGFXLKOFFWFOK-INIZCTEOSA-N 432.524 4.155 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c4ncccc34)n2)cc1OC 906373159 RRZQMLNCMMOWPK-UHFFFAOYSA-N 441.534 4.485 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 915290082 TWBXIUQAPMBHQK-UHFFFAOYSA-N 439.902 4.490 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1 915748849 MLOMTRKIAPANBA-UHFFFAOYSA-N 440.341 4.154 10 20 IICD CC(C)[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 915930870 AUASOUQTMFSRMA-RDPSFJRHSA-N 440.540 4.251 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 916102257 MQTSGQMDPQETJA-UHFFFAOYSA-N 440.300 4.282 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 916107830 TWCSPJJKWUNTPX-UHFFFAOYSA-N 437.370 4.336 10 20 IICD CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917380674 KPISLKFHGHXUPA-UHFFFAOYSA-N 436.474 4.361 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2F)C[C@@H](C)O1 917715926 ZNDGIMHWBASBJL-HDICACEKSA-N 448.542 4.432 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(Cc4ccccc4)c3)cc2F)C[C@@H](C)O1 918080434 CUDQQPFBXSIUPW-HDICACEKSA-N 437.519 4.006 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(OC)cc1 918187139 VXYRSSHRIPNQQF-YVHKJVDXSA-N 429.536 4.398 10 20 IICD Cc1ncnc(O)c1CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 1317836766 ZSAITQXJEDBGKN-UHFFFAOYSA-N 435.524 4.380 10 20 IICD CC(C)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1845465214 LKGZGPWKFQEQMN-UHFFFAOYSA-N 442.943 4.081 10 20 IICD Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc12 108807713 JBUJJIDNGYCAQF-UHFFFAOYSA-N 432.549 4.162 10 20 IICD Cc1c(CNC(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)n(C)c2ccccc12 471911240 PDOOVHDYAXUHKC-FQEVSTJZSA-N 434.584 4.186 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(C)n1C[C@@H]1CCCO1 726197277 PDBZJLRYQQKTSV-KYYPIKSYSA-N 427.595 4.123 10 20 IICD CCCc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]c(C)c1C(=O)OC 726567918 WBIIWVHUYBIBML-UHFFFAOYSA-N 449.498 4.062 10 20 IICD COc1ccc(N2CCC(N[C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1 726603931 CCDIVJPGXNNQCB-AREMUKBSSA-N 429.564 4.311 10 20 IICD COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccc(Cl)cc4F)CC3)c2c1 727167071 FDNRFIWPYVLEMJ-UHFFFAOYSA-N 428.891 4.305 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccc3c(c2)OCCCO3)cc1 727275190 OODGYXSBTWWARD-OAQYLSRUSA-N 441.597 4.292 10 20 IICD C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(N2CCOCC2)cc1 730487235 VXSBCQVQCZILMV-CQSZACIVSA-N 446.429 4.083 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1[N+](=O)[O-] 731036473 MGBLQBSABLADOL-UHFFFAOYSA-N 440.500 4.011 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 731115280 BVYNOVPPMWDXDZ-INIZCTEOSA-N 440.521 4.257 10 20 IICD CCOc1ccc(CN(Cc2cc(=O)n3nccc3[nH]2)c2ccc(OC)c(Cl)c2)cc1 731210649 YEJKHYHMJPGGTH-UHFFFAOYSA-N 438.915 4.290 10 20 IICD Cc1nc(CN2CCC(CNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)oc1C 732174905 HPQXIEXYGKMVEZ-UHFFFAOYSA-N 438.547 4.480 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 734016476 USTRYHZYWHBLJZ-UHFFFAOYSA-N 429.270 4.281 10 20 IICD COc1cccc(Nc2ccccc2C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 739765496 JDLVHEYGDLRGQT-UHFFFAOYSA-N 444.535 4.393 10 20 IICD CSc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 740649606 WMJVATCERYPYFX-BBWFWOEESA-N 432.561 4.245 10 20 IICD COc1ccc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Br 740901792 IPYGFJIMNHXDRH-HNNXBMFYSA-N 430.346 4.394 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 742272416 ATYTVBPNVUNGBU-UHFFFAOYSA-N 432.329 4.178 10 20 IICD CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742799898 NGDPRDFEOCGIJD-GOSISDBHSA-N 446.498 4.217 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 742802945 GZZKMIQIOYXQIE-AWEZNQCLSA-N 425.819 4.248 10 20 IICD CC(=O)Nc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C 743100298 DITRNTHKUYZESR-KRWDZBQOSA-N 432.471 4.345 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nn(-c2ccccc2)c2c1CCC2 743808708 CHAAGJVRKANWQN-UHFFFAOYSA-N 440.341 4.491 10 20 IICD CCC[C@@H](CC)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 743838449 WZBKOFWEXWNFHL-MKRLJBPISA-N 441.416 4.345 10 20 IICD O=C(N[C@@H](CCCO)c1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745837773 JOBTYDZRCXBCQV-NQIIRXRSSA-N 433.499 4.070 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1ccc(F)cc1 746135425 OENMKMPOXOSQMR-OALUTQOASA-N 445.554 4.105 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 748478986 VMGMPMPBPOWIOK-UHFFFAOYSA-N 430.382 4.458 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1COc2cc(F)cc(F)c21 753421361 ZUNKKFDXFBUCMV-CQSZACIVSA-N 427.245 4.098 10 20 IICD C[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(N2CCOCC2)cc1 755840784 TWFRROPBZKYSTJ-INIZCTEOSA-N 433.512 4.333 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)c(F)cc1O 756412133 SHSJSRXQZNLJHK-GFCCVEGCSA-N 439.300 4.388 10 20 IICD C[C@H](NCCCNc1ccccn1)c1cc(Br)cc(Br)c1O 756641392 GQYODGHQQKJWPC-NSHDSACASA-N 429.156 4.465 10 20 IICD C[C@H](NCc1cccc(N(C)C)n1)c1cc(Br)cc(Br)c1O 756770145 TWWCVOKCNSQJDB-JTQLQIEISA-N 429.156 4.229 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 757551599 NZNXANZISRUFQJ-UHFFFAOYSA-N 448.453 4.390 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3COc4c(Cl)cccc43)cc2F)C[C@@H](C)O1 757633629 VLKUDIKCYDUGRH-BIENJYKASA-N 433.911 4.026 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1F 759326664 WCBAWMQCIKVNBO-UHFFFAOYSA-N 433.483 4.049 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(OC4CCCCC4)cc3)no2)c1 761923895 IFTLYUYULHHPOK-UHFFFAOYSA-N 429.498 4.192 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2ccc(Cl)cc2)CC1 773238308 TWCJRHSSVPCRFV-UHFFFAOYSA-N 431.939 4.405 10 20 IICD C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(N(C)C)cc1 773991529 ZCAYKQKXGJLKEK-MRXNPFEDSA-N 441.528 4.184 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 775368624 CFHOAAXSUZKNIV-CHWSQXEVSA-N 442.497 4.110 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3c(C)ccc4cccnc34)n2)cc1 778078532 ISDWEUOQPFIMOG-UHFFFAOYSA-N 439.518 4.254 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2cc(Br)cc(C)c2O)cc1 779052160 NMADOSFXZYVTDO-HUUCEWRRSA-N 426.376 4.285 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 785544181 SMEHMNLMEKIIIB-UHFFFAOYSA-N 440.593 4.489 10 20 IICD Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 787807182 YBGWVTJLYZNPHW-UHFFFAOYSA-N 446.956 4.074 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 788934250 VIVSAMFWFXDRRB-OAQYLSRUSA-N 447.501 4.435 10 20 IICD CO[C@@H]1CCOc2c(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cccc21 790957440 JHXCPANFPCGGEL-UZUQRXQVSA-N 445.519 4.472 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(N2CCCCC2)c2ncccc12 791947079 QUFYFDYLZFAVMA-UHFFFAOYSA-N 445.567 4.383 10 20 IICD Cc1c(CNCc2cc(Br)cc(Br)c2O)cccc1[N+](=O)[O-] 792182917 GFXLYKRDQIANAI-UHFFFAOYSA-N 430.096 4.424 10 20 IICD CSc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F 792702888 HFBFTMXXCAHQLT-UHFFFAOYSA-N 426.716 4.470 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(-n3nnnc3O)cc2)cc1 793940586 WHBDIRXPNCLGDL-UHFFFAOYSA-N 428.456 4.102 10 20 IICD CCN(C(=O)c1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1Cl)C(C)C 797650452 AXGRERJDJMWVPN-CQSZACIVSA-N 433.936 4.374 10 20 IICD CN(C)c1ccc([C@@H](CNC2CCN(c3nccs3)CC2)NC(=O)OC(C)(C)C)cc1 798270872 XBSYRWDJBRXBLP-HXUWFJFHSA-N 445.633 4.034 10 20 IICD CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 800719341 JOISHPHNAUHUOF-AZUAARDMSA-N 449.039 4.270 10 20 IICD Cc1nn(C)c(Br)c1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800974636 ODIWHULZJYFZPY-GFCCVEGCSA-N 439.785 4.311 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CSc1nnc(C)n1-c1cccc(OC)c1 801546160 IRIXLTFJOSZGNS-UHFFFAOYSA-N 440.569 4.211 10 20 IICD COCCCOc1cc(C)ccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O 805191875 DDRIFVJCNYIMBX-UHFFFAOYSA-N 427.328 4.422 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)[C@H]3c3cccs3)cc2F)C[C@@H](C)O1 805839854 IRHONWHQCXHZBT-SEPYTNNBSA-N 445.604 4.200 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 806846730 VQYMPLHMUCQXHK-HSZRJFAPSA-N 445.485 4.283 10 20 IICD CCOCc1nc([C@H](C)N[C@H](C)c2cc(Br)cc(Br)c2O)no1 810256298 XMLBMHFYFLRRPI-BDAKNGLRSA-N 449.143 4.249 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)ccc1O 811705436 NIVVLSMMCOMFCV-UHFFFAOYSA-N 434.297 4.123 10 20 IICD CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 813313924 DSPAYNYZCREWER-HSZRJFAPSA-N 427.508 4.486 10 20 IICD Cc1oc2c(CN(C)CC(=O)N3CCCC3)c(O)ccc2c(=O)c1-c1ccccc1Cl 874064605 SWOHBTYXIQCFJK-UHFFFAOYSA-N 440.927 4.182 10 20 IICD COC(=O)c1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 913931595 OSQDIUIKKSZKQU-VBKFSLOCSA-N 446.575 4.155 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(OCc2ccccc2)CC1 916624996 ZXBFBDMPXBNACT-UHFFFAOYSA-N 425.598 4.131 10 20 IICD COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916668825 BVOBYUKSFOCEJM-UHFFFAOYSA-N 429.536 4.415 10 20 IICD Cc1nc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1-c1ccccc1 918029351 PCNGRPOHZSJMRF-LJQANCHMSA-N 449.580 4.142 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(CCN2CCCCC2)cc1 918053241 OICLLPFHFDGHPX-UHFFFAOYSA-N 436.600 4.216 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918219696 NKVXFVYZSWSLQV-RTBURBONSA-N 442.579 4.285 10 20 IICD Cc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1-c1ccc(Br)cc1 918617962 CHZNIMFUZFGJCC-LJQANCHMSA-N 443.345 4.484 10 20 IICD C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 919924760 VUQMGRPLPMNBOQ-NJDAHSKKSA-N 426.605 4.424 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920882464 RSYQGUFTRXNPJK-IRXDYDNUSA-N 447.373 4.239 10 20 IICD C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 920887785 IDQYDUNQNAYVIX-SFHVURJKSA-N 432.495 4.384 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1[N+](=O)[O-] 921206159 WLAHZVFSRYRRHJ-UHFFFAOYSA-N 431.495 4.016 10 20 IICD CC(=O)CCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 1809109501 GATFTBUQQKPHLW-UHFFFAOYSA-N 449.595 4.308 10 20 IICD COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c2C)cc1 13348502 JXFAJNKYLJCPSD-PDGQHHTCSA-N 430.551 4.169 10 20 IICD COc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OC(F)F 237252635 YAWUSKYEUPVHRN-UHFFFAOYSA-N 446.416 4.442 10 20 IICD CSc1nnc(CCCNC(=O)NCc2c(C)c3ccccc3n2C)n1C1CCCC1 471838795 WICAVNMBHMXITN-UHFFFAOYSA-N 440.617 4.347 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ncc(OC)cc3Br)ccc21 514632051 TYEURZZRHWBJAY-UHFFFAOYSA-N 432.318 4.323 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(CSc4nccn4C)c3)CC2)cc1 726561887 XLFLYFVXDHNYKY-UHFFFAOYSA-N 436.581 4.120 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3sc(NC(C)=O)nc3C)n2)cc1 727247210 RNILHUFVYAVFND-UHFFFAOYSA-N 440.597 4.056 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3F)C3CC3)cc2F)C[C@H](C)O1 727601420 RLWVKDMHOYUOMB-IRXDYDNUSA-N 429.511 4.453 10 20 IICD CCCN(CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1ccccc1O 727831253 QWMHRZODLSIKAL-VWLOTQADSA-N 426.557 4.279 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)cc1 728222829 NSIXSXDWCYGHKY-KRWDZBQOSA-N 431.577 4.391 10 20 IICD CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1C 728838945 BJXHWZRCVFWSFK-UHFFFAOYSA-N 425.451 4.079 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 730142618 WQKXRAZYLSSKEO-OAQYLSRUSA-N 444.620 4.465 10 20 IICD CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730192475 BBCAPPHWECHNLO-IBGZPJMESA-N 427.564 4.176 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2sc3nc(COC)nc(OC)c3c2C)cc1F 731346652 NXFHHMLZPFKVQQ-UHFFFAOYSA-N 446.548 4.070 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(CN5CCOCC5)cc4)no3)ccc21 731804645 FWZGCJMPHLEIDK-UHFFFAOYSA-N 446.551 4.454 10 20 IICD O=C(COC(=O)c1cc(O)cs1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 732352792 HBHBGLJRLPDXSZ-UHFFFAOYSA-N 428.432 4.258 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3nc4ccccc4s3)cc2F)CC1 734180526 SPFFFPXPPQUQMV-MRXNPFEDSA-N 441.576 4.138 10 20 IICD COc1cc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)cc(OC)c1OC(C)=O 734880309 MBWQSTPSPLRFOS-YVLHZVERSA-N 433.551 4.019 10 20 IICD O=C(NCCc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735384931 HMGRLXXQHITLHD-IBGZPJMESA-N 433.346 4.088 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 737517739 QRILLZALCMOFSC-LPHOPBHVSA-N 447.501 4.217 10 20 IICD Cc1nc(-c2cccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)n[nH]1 743144181 XJVSKEBKZDNWJF-KRWDZBQOSA-N 442.470 4.172 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc1F 743900612 NQBCNJRVSQLZHY-UHFFFAOYSA-N 428.533 4.054 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CNC(=O)c4ccccc4)C3)c2C)cc1 748739344 OYNLIPZIRFESPH-NRFANRHFSA-N 445.563 4.385 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3NCc3cccnc3)cc2F)C[C@H](C)O1 751380184 YEXFKUVJSHJDSO-OALUTQOASA-N 448.542 4.376 10 20 IICD CC[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 752295603 GSXYKSXHJMBDOB-GHTZIAJQSA-N 447.501 4.217 10 20 IICD COc1cc(N(C)Cc2csc(N(C(C)=O)c3ccccc3)n2)cc(OC)c1OC 756534052 VBEOHBIIOYAPGI-UHFFFAOYSA-N 427.526 4.490 10 20 IICD COc1ccc([C@H](N[C@H](C)c2cc(OC)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756620625 LHGKKAUYSMGDFH-GYCJOSAFSA-N 441.549 4.253 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc2[nH]c(-c3cccs3)nc12 758808068 HZNSAHLCYCUHGA-UHFFFAOYSA-N 446.576 4.430 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 759555887 CVUWCQVBHQDZAF-OAHLLOKOSA-N 429.514 4.010 10 20 IICD COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Br 765285789 HGTFNZAPJRWJNH-AWEZNQCLSA-N 437.353 4.409 10 20 IICD O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 765319921 CRCAAGKQAYNZCN-WOIUINJBSA-N 445.510 4.476 10 20 IICD C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 765478273 CXOLCHGEDXMFDZ-IBGZPJMESA-N 427.614 4.094 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C)ccc21 772191607 PNAQQJHAVDEULT-OXQOHEQNSA-N 443.588 4.422 10 20 IICD CCN(C)c1ccc([C@H](C)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 773001430 SIYRHPIYZBCFPI-SFHVURJKSA-N 425.573 4.115 10 20 IICD COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 773341902 AFLFGMKJCIHDON-VFNWGFHPSA-N 438.549 4.330 10 20 IICD CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 775727143 KHKDXBKUYIUNGH-QPHKYOTMSA-N 447.526 4.154 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1)C1CC1 784060109 WCYRAMSXYOMKQT-UHFFFAOYSA-N 448.567 4.084 10 20 IICD Cc1ccc(Br)nc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 786628147 OVOKJRRUMMVSPH-UHFFFAOYSA-N 440.288 4.153 10 20 IICD CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc2[nH]ccc2c1 788552039 XCZNLJNBWRLBNY-UHFFFAOYSA-N 441.534 4.403 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-c2ccccc2)nc1O 791249855 JXTWMMYDDUUPMD-UHFFFAOYSA-N 447.535 4.456 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCCn1cc(Br)cn1 792226682 VFTWSECLFWBPHB-UHFFFAOYSA-N 436.398 4.112 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c(Br)c1 794679710 IKMQAXMKCHYSGV-VGOFMYFVSA-N 437.340 4.267 10 20 IICD CCCCn1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C 800636179 HEZXCFCGWNHDQD-MRXNPFEDSA-N 445.995 4.136 10 20 IICD CCc1oc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1C(=O)OC 800793695 UKQDSFNTGSBHFT-LDADJPATSA-N 431.535 4.081 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 802609429 BNBIQQMLWGIOPR-UHFFFAOYSA-N 438.553 4.044 10 20 IICD Cc1ccc(-c2csc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)s1 806856029 CYXQWPDMJFYPBL-UHFFFAOYSA-N 440.594 4.376 10 20 IICD COc1cc(Cl)cc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)c1O 812783892 MGBARMSTCFZSTM-LBPRGKRZSA-N 444.753 4.429 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1)[C@H]1C[C@H]1C 815593956 BWWHPADKTQRHMI-OSPHWJPCSA-N 448.567 4.335 10 20 IICD CCOc1ccc(OCC)c(NC(=N)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 849070215 KSBXVEIAZIVNQV-IAGOWNOFSA-N 444.551 4.373 10 20 IICD CN(Cc1cccs1)c1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 863995400 SHBZTWOZOJKJRN-UHFFFAOYSA-N 427.595 4.437 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccccn1 914613999 QGZDOMJNSMTERS-CQSZACIVSA-N 442.859 4.235 10 20 IICD Cc1ccc2c(CC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)coc2c1 916456957 ZKFIYPPJNZZXHX-UHFFFAOYSA-N 432.442 4.456 10 20 IICD CN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 916514728 LBJMVUQQAOOPSK-UHFFFAOYSA-N 444.579 4.056 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC(c1ccccc1)c1ccccc1 918186344 CKTZADHGDBHMOY-UHFFFAOYSA-N 447.554 4.418 10 20 IICD CCCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918427249 GGJXAGSIYFQXME-UHFFFAOYSA-N 435.528 4.195 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 919791665 CCWRGGPFDIINGN-UHFFFAOYSA-N 433.474 4.416 10 20 IICD C[C@H](NC(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccc(N2CCOCC2)cc1 920870733 BPYMLRKMHIVPHS-INIZCTEOSA-N 425.920 4.245 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccccc2CS(C)(=O)=O)c1 1323754902 AIGDGVSDNZVKMA-UHFFFAOYSA-N 430.957 4.222 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCC=CO2)cc1 1798409085 GJBFOSOISGNVDZ-GNLZIIPMSA-N 433.552 4.039 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 10308416 FAGXACGHCGNIII-UHFFFAOYSA-N 443.547 4.297 10 20 IICD Cc1ccccc1NC1=NC(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)S1 21190133 QUUBDKPRLBMHFY-QNGOZBTKSA-N 430.533 4.462 10 20 IICD C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccc(N2CCOCC2)cc1 116721945 NRYWDYXURIUTAY-MRXNPFEDSA-N 425.529 4.201 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 302890585 RLDQJSSJSJXZST-UHFFFAOYSA-N 437.565 4.216 10 20 IICD Cc1ccc2c(C3=CCN(c4ccc(S(N)(=O)=O)c(C(F)(F)F)c4)CC3)c[nH]c2c1 470860410 TYNPXCZEKQQBBV-UHFFFAOYSA-N 435.471 4.436 10 20 IICD Cc1c(CNC(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)n(C)c2ccccc12 472286109 HYPIYUWXBKBREH-OAQYLSRUSA-N 437.613 4.139 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(Cl)ccc1N1CCSCC1 542954115 QAIOPAWKXIAYGX-UHFFFAOYSA-N 432.977 4.390 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1ccc(N2CCOCC2)cc1 727477585 IKZRIVSCRHGVAJ-KSFYIVLOSA-N 447.938 4.160 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CCN1CCCC1=O 727708808 KNIWHAYDGPGGOZ-IBGZPJMESA-N 433.474 4.311 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 732250156 XNUDLXKCQSBNAY-WMLDXEAASA-N 435.927 4.218 10 20 IICD O=C(NCCCNC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 732480730 PRBUIMMXGPZRIS-UHFFFAOYSA-N 447.470 4.116 10 20 IICD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 732586123 GWLXQUWAWALAGB-UHFFFAOYSA-N 438.572 4.480 10 20 IICD COc1ccc(C[C@@H](NC(=O)NCc2cc(OC)ccc2O)c2ccc(OC)cc2)cc1 734065314 UALMAFQMEJGNMR-HSZRJFAPSA-N 436.508 4.201 10 20 IICD CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nn1-c1ccccc1 735430354 WRARQLGQGXXZGM-UHFFFAOYSA-N 429.524 4.331 10 20 IICD COc1ccc(N(CC(=O)Nc2ccc(Br)cn2)Cc2ccco2)cc1F 739925884 CZGOVCDYXAMZJI-UHFFFAOYSA-N 434.265 4.230 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 740846663 BTLFONNMGJSSJB-UHFFFAOYSA-N 449.523 4.038 10 20 IICD O=C1CCCc2cc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc2N1 743142371 BSJJNUCSRLKTIF-QGZVFWFLSA-N 444.482 4.353 10 20 IICD Cc1cc(O)ccc1NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 743260121 WKXSCIYOTHTKSA-UHFFFAOYSA-N 425.329 4.387 10 20 IICD CC1CCN(CCCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 743547250 CBZWEUDLAAQLDO-IBGZPJMESA-N 438.563 4.068 10 20 IICD C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 745798129 WGLMYYOBUSAEFJ-FUHWJXTLSA-N 431.577 4.106 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)c2C)c1 750120753 MVUNGTPLTLHGDO-GOSISDBHSA-N 433.516 4.088 10 20 IICD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751101387 FBLUQMOZAHCTMQ-CTNGQTDRSA-N 429.948 4.015 10 20 IICD CC(C)C[C@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 752227718 YXPIQUDMXGDPEO-DGGAMASNSA-N 441.416 4.201 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)CC2)cc1F 753730412 IRITUHKDESNRJF-UHFFFAOYSA-N 449.526 4.388 10 20 IICD C[C@H](NC[C@@H](c1ccco1)N(C)C)c1cc(Br)cc(Br)c1O 756352653 VUZWCUZCJYXQSM-HZMBPMFUSA-N 432.156 4.464 10 20 IICD C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(Br)cc(F)c1O 756708326 POAPLIYJAHQTLF-BONVTDFDSA-N 427.701 4.403 10 20 IICD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2)n1 760101856 DCPYMASFKHBLMO-UHFFFAOYSA-N 446.551 4.450 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccccn3)c3ccccc3OC)CC2)cc1 760862079 IRAWQEUKLSIJQH-RUZDIDTESA-N 446.551 4.110 10 20 IICD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765253863 VJEPNVZRJDXUAJ-CQSZACIVSA-N 446.345 4.491 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1 765853648 CKIRGMPZUVAPOP-NWDGAFQWSA-N 425.298 4.294 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)cc2cccnc12 767289501 MYUHEWRNQUETEH-UHFFFAOYSA-N 433.405 4.159 10 20 IICD Cc1nc2ccccc2n1CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 772719360 PDMISPBENBNWBT-UHFFFAOYSA-N 428.483 4.121 10 20 IICD CC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C 783483287 RJOOQPREZZDKSO-QGZVFWFLSA-N 430.508 4.269 10 20 IICD Cc1c(Br)ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1F 788746471 RGBLHDXCVQQOSH-UHFFFAOYSA-N 436.325 4.397 10 20 IICD CCS(=O)(=O)Nc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1OC 792865257 VGLMSOWWWDNEPJ-UHFFFAOYSA-N 431.480 4.154 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 801638048 QKTLJSJXQBREFF-UHFFFAOYSA-N 425.529 4.135 10 20 IICD C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C 805370467 NCWKVJWKBMUPOT-SMDDNHRTSA-N 432.348 4.286 10 20 IICD CCOC(=O)C(C)(C)c1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 806822456 ATMAUOYODFFTCX-UHFFFAOYSA-N 432.590 4.492 10 20 IICD COC(=O)c1cc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(Cl)c1 807006734 QVQGINUXHGSHIZ-UHFFFAOYSA-N 443.931 4.322 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc(CC(=O)OC)c3)sc2C)cc1 811822567 FBTOGHQDCPDUSO-UHFFFAOYSA-N 446.550 4.034 10 20 IICD O=C(Cc1ccc(OC(F)F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458293 YYTFIOZLZUXIAE-UHFFFAOYSA-N 444.400 4.002 10 20 IICD C[C@@H]1CN(c2ccc(CNc3cc(C(=O)NC4CC4)c4ccccc4n3)cc2F)C[C@@H](C)O1 917087351 ZYQCASGZQBTTDZ-IAGOWNOFSA-N 448.542 4.492 10 20 IICD Cc1nc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc1-c1ccccc1 918029350 PCNGRPOHZSJMRF-IBGZPJMESA-N 449.580 4.142 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1 918036521 ZPDUFKKSIKGRBB-IBGZPJMESA-N 436.556 4.031 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCc4ccncc4)cc3)cc2F)C[C@H](C)O1 918140625 NJYDSTXSMGVFAQ-OALUTQOASA-N 449.526 4.343 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(Cn3cncn3)c2)cc1 919652905 GIHWSVXORQTCQK-UHFFFAOYSA-N 430.512 4.220 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 1320320883 VTOIRIWDGWCPOO-JOCHJYFZSA-N 436.943 4.064 10 20 IICD O=C(NC1(c2ccc(NC(=O)C34CC(C3)C4)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1792036435 WSVUVGPAZMHMTB-UHFFFAOYSA-N 426.900 4.299 10 20 IICD Cc1nc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)o1 1798821194 MJKRZLRCEKBELC-UADZTWIMSA-N 446.551 4.265 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CC2(F)F)C3)cc1 1800514314 MRUFVGKOEISRCC-NRDMVMEKSA-N 427.495 4.001 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc2sc3ccccc3n2c1=S 16878697 BPWYOMXMRNQNQK-UHFFFAOYSA-N 425.583 4.006 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 105284657 LIKXHTGTEWDSDF-JOCHJYFZSA-N 435.572 4.208 10 20 IICD COc1ccc(N2CCCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)cc1 108094623 ZHPZYINHCBIKAP-UHFFFAOYSA-N 445.523 4.421 10 20 IICD Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1ccc2c(c1)CCCN2C 195738981 ILLOSVMWTZUEFQ-UHFFFAOYSA-N 425.529 4.482 10 20 IICD CCN(CC)[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 229618351 NVKXSBWZAUNKAJ-JXQFQVJHSA-N 427.564 4.139 10 20 IICD Cc1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c(O)c1O 727004091 NPXUFMBJOIDRSH-HXUWFJFHSA-N 425.868 4.122 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727490191 GQQXMHZJCTWURK-MOSHPQCFSA-N 444.553 4.072 10 20 IICD COC(=O)Nc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F 727593738 CLJABDFCUSLZBK-KBPBESRZSA-N 448.470 4.078 10 20 IICD Cc1ccc(N2CCC(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)CC2)nc1 728838178 CRKWWLXURMVARJ-UHFFFAOYSA-N 434.506 4.264 10 20 IICD COc1ccccc1SC[C@H](C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 728950661 XIJREBHDTMACJI-RTBURBONSA-N 443.613 4.320 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCc4[nH]c5ccc(C)cc5c4C3)cc2F)CC1 730133203 LNZNDWBKWCOQJQ-UHFFFAOYSA-N 449.574 4.025 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OC)cc3C(=O)NC3CC3)c2C)cc1 730247015 QKXNFSIXVDIYTG-UHFFFAOYSA-N 433.508 4.256 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)o1 730932067 DXZMEDIXJOJAAJ-UHFFFAOYSA-N 439.323 4.359 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)cc2)CC1 731015637 YYUIZXQMCZXZBC-GOSISDBHSA-N 443.588 4.439 10 20 IICD Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(N4CCSCC4)cc3)s2)cc1 731114702 VUNSYPJHKXKUSP-UHFFFAOYSA-N 439.610 4.312 10 20 IICD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COC(=O)c1cc(O)cs1 732352757 FUXAHZDOLYGFGP-HNNXBMFYSA-N 438.505 4.082 10 20 IICD Cc1cc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1ccc(C(C)C)cc1 732560024 UDETWIHJELRWAA-VWLOTQADSA-N 436.644 4.458 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 734315920 FLXAVIZPMJRYLC-UKILVPOCSA-N 437.584 4.110 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 738459946 IVJVDZGMSVPRAJ-RXVVDRJESA-N 439.531 4.028 10 20 IICD CCOCc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1OC 742378060 ASCSVJNILGKIDK-FQEVSTJZSA-N 434.483 4.118 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 743958314 RADWFEOKTGZUGY-UHFFFAOYSA-N 444.531 4.413 10 20 IICD Cc1nc(CN2CCC(CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2)oc1C 745815086 DALGSXOXAVXFAG-UHFFFAOYSA-N 441.620 4.190 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1 746823412 LUYKFPSKPSJLRR-LJQANCHMSA-N 429.508 4.096 10 20 IICD COc1cccc(CNC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1O 749593437 OBKCDDSUOJMWQK-UHFFFAOYSA-N 425.529 4.016 10 20 IICD Cc1nc2cc(F)cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2nc1C 754547024 CUQJDZRRECVZSJ-UHFFFAOYSA-N 425.419 4.413 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(C)noc1C 757009822 GGBNJKFKVPQQSR-GOSISDBHSA-N 440.466 4.097 10 20 IICD O=C(O)Cn1cc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1 759074489 AIQPMYUMHQEOLG-CXUHLZMHSA-N 428.279 4.151 10 20 IICD C[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1Cl 765587853 GTOVCTIJQVXBGT-KRWDZBQOSA-N 438.012 4.474 10 20 IICD CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)NCc1cccc(Br)c1O 765727542 CDUGKDQIKJRDQR-VLIAUNLRSA-N 441.366 4.245 10 20 IICD COc1ccc(N2CCC(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 765759606 FIFCGJZXGIANRH-UHFFFAOYSA-N 445.604 4.208 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 766057637 DDZQBQISGLFVQQ-NRFANRHFSA-N 426.948 4.230 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)cc1F 767357922 JNZUEDFPAQLEFA-RZNTYIFUSA-N 425.304 4.398 10 20 IICD O=C(Nc1ccc(O)cc1)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 769233343 RVQHHEJTZALICA-UHFFFAOYSA-N 438.528 4.141 10 20 IICD COc1c(C)ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1C 769696018 MUZOYKQNRZNCDA-UHFFFAOYSA-N 432.523 4.132 10 20 IICD Cc1cc2ncc([C@H](C)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c(C)n2n1 772441621 BYUBBOZQRRKDPF-HNNXBMFYSA-N 433.478 4.052 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3OC)SC2=S)cn1 773896285 DHGBFVKWGGMWRS-MDWZMJQESA-N 437.340 4.267 10 20 IICD COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 775832014 WHSDKRYOMQDHFD-SFHVURJKSA-N 446.551 4.303 10 20 IICD C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 777633268 OPZBVNFRQCDIPX-HUUCEWRRSA-N 428.492 4.069 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ccc(S(C)(=O)=O)cc1 780773627 AQMBKTGVAOYSDC-UHFFFAOYSA-N 430.570 4.068 10 20 IICD COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 794018657 YEMMTXWXVYLUSV-UHFFFAOYSA-N 446.550 4.161 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)c1cccc(C(F)(F)F)c1 797194865 RWUGJPQCTMVYCB-MRXNPFEDSA-N 432.236 4.256 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccnc3-n3cccn3)cc2Cl)C1 799880678 RHJOCZSFDVBITA-QGZVFWFLSA-N 438.963 4.156 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 808479555 WSDFUVMVNBZANP-AWEZNQCLSA-N 443.491 4.264 10 20 IICD COc1cc(O)c(CN(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc1OC 809787835 KLBVVXOXPBLTON-LJQANCHMSA-N 433.854 4.031 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC12CCC2 813654292 MKTFXDDXKMWZIZ-FQEVSTJZSA-N 440.588 4.184 10 20 IICD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)n2)n1 820006169 LXPWFYROUHGDAQ-UHFFFAOYSA-N 443.898 4.500 10 20 IICD Cc1cc(C(=O)OCC(=O)N(Cc2ccco2)c2ccccc2)c(C)n1-c1ccccn1 914907246 TYOAXYWKGSXDFR-UHFFFAOYSA-N 429.476 4.472 10 20 IICD Cc1cc(C(=O)NCc2cn3ccsc3n2)c(C)n1-c1ccccc1Br 918048363 UJQFWSKXSHECCE-UHFFFAOYSA-N 429.343 4.496 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 919790796 QBSMAOKLCRHYAN-UHFFFAOYSA-N 432.362 4.020 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(-n4cnc5ccccc54)cc3)SC2=S)CC1 920471487 BRZVIUKXEXWDAU-STZFKDTASA-N 434.590 4.321 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 920867292 RXUHLOXIUNCPMW-RBUKOAKNSA-N 441.572 4.442 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCOCC2)cc1 920923398 PSODJTMBWVPMDV-KRWDZBQOSA-N 443.503 4.239 10 20 IICD Cc1oc2c(CN3CCC(C(=O)N4CCCC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 115407631 QOXNJYFKDWRYDO-UHFFFAOYSA-N 446.547 4.308 10 20 IICD FC(F)(F)c1cccc(C2(CNCc3ccc(N4CCOCC4)cc3)CCOCC2)c1 237740793 ZKJMLVCFPIIFMQ-UHFFFAOYSA-N 434.502 4.380 10 20 IICD COc1ccc(N2CCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)CC2)cc1F 301586476 VQCAJQGMFIIUSZ-UHFFFAOYSA-N 449.313 4.014 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(OCCC(C)C)cc3)CC2)cc1 726602374 XPQIXQWMTJNYHF-UHFFFAOYSA-N 432.586 4.067 10 20 IICD CC(C)(C)OC(=O)NC(C)(C)c1noc(CN(Cc2ccccc2O)C2CCCC2)n1 731847852 PPOPHWRTJPVKHE-UHFFFAOYSA-N 430.549 4.480 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(Br)c1 734145854 OCVNJLDECPTTQW-SJLPKXTDSA-N 446.389 4.233 10 20 IICD COc1ccc(CCN(CC(C)C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC 734663201 KAJUQYUFSNTKAE-UHFFFAOYSA-N 431.552 4.319 10 20 IICD COc1ccc(C(=O)N2CCC(NCc3cc(-c4ccccc4)ccc3O)CC2)cc1OC 735676375 MLMHAYYCISNWJI-UHFFFAOYSA-N 446.547 4.471 10 20 IICD O=C(CCOc1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1 736194687 ASVUNULOPZLLRM-UHFFFAOYSA-N 437.367 4.287 10 20 IICD CS[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 740358247 MGXNDTBXCROKFM-DEOSSOPVSA-N 445.496 4.048 10 20 IICD CCCn1c(CNc2ccccc2OCC2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 740873897 MRCFXNWWKPFXGH-UHFFFAOYSA-N 442.585 4.098 10 20 IICD COc1ccc(Cl)cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752790 HECJMWOCDHTGED-LJQANCHMSA-N 447.963 4.410 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1)C1CCCCC1 743421970 VDFBGHHIFFTGHE-UHFFFAOYSA-N 448.567 4.059 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 743564978 RMAJPCVAFRMBFL-UYAOXDASSA-N 442.991 4.206 10 20 IICD CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)s1 745807204 AFCAFJUAKNZOBB-QGZVFWFLSA-N 447.624 4.198 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl 746812698 HSDPQKRPPDSHPD-UHFFFAOYSA-N 441.988 4.020 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cccc(Cl)c21 746948074 XBZSCRGESWFPJC-UHFFFAOYSA-N 431.939 4.448 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)c2C)cc1 750141055 LCJJJYPULNQOAQ-HSZRJFAPSA-N 426.557 4.293 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 750861904 LIUFXRUHPJXKCX-UHFFFAOYSA-N 428.488 4.241 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)cc1 756458806 KQNNTXMBSOIFMT-CYBMUJFWSA-N 431.385 4.378 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)cc2)CC1 756692491 UPKPUBPDNGMSAI-YADHBBJMSA-N 443.613 4.019 10 20 IICD CSc1cc(C)ccc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 757424534 HIAOGEIBUCJEEO-UHFFFAOYSA-N 446.484 4.331 10 20 IICD COc1cc(N2CCN(Cn3ccc(=S)c4ccccc43)CC2)cc(OC)c1OC 758962830 CCDKPBFBTQQKPA-UHFFFAOYSA-N 425.554 4.176 10 20 IICD COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 760309168 PQOUNVRYBFRKRU-UQBPGWFLSA-N 446.551 4.077 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(CCOCc2ccccc2)CC1 762375754 QPOHDNUNWLOVGA-UHFFFAOYSA-N 428.916 4.197 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccnn2C2CCCC2)NC(=O)OC(C)(C)C)cc1 765684463 OUWAETCTCNCSDP-FQEVSTJZSA-N 441.576 4.060 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc2)CC1 765792010 VJOBSKVOCNPSEB-GOSISDBHSA-N 425.520 4.088 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccccc1SC(F)(F)F 765903775 LKVRWEYTSMMECS-UHFFFAOYSA-N 449.248 4.022 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc(C(F)F)c1Cl 765930952 MCZCOOAFHLVOBR-UHFFFAOYSA-N 433.636 4.001 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2ccccc2)nc1-c1ccncc1 768207329 DAPCSLBSTJOUDP-UHFFFAOYSA-N 439.563 4.403 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(Cc1cccc(F)c1)C1CC1 769672038 MESUKRCKSHUXDX-UHFFFAOYSA-N 446.525 4.198 10 20 IICD CC(C)Nc1cc(F)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769910513 MNQLQYVGFLBSGU-UHFFFAOYSA-N 449.529 4.466 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)CCCc4ccccc4)n3)CC2)cc1 771054515 BKNRZFLMPFNDII-FQEVSTJZSA-N 448.567 4.096 10 20 IICD Cc1ccc(NC(=O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 772764924 IOGNSAQDXCRGJP-UQBDUDKASA-N 448.431 4.251 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CNC3(c4c(Cl)cccc4Cl)CCC3)nc12 773976349 LJBZHECZFSYMMB-UHFFFAOYSA-N 435.311 4.087 10 20 IICD COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1OCc1ccncc1 774977411 OZHVLOAQCPPYBB-HNNXBMFYSA-N 439.468 4.142 10 20 IICD COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)c1 775405822 VKTJIUHEOBPFOA-SFHVURJKSA-N 447.535 4.270 10 20 IICD CC[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cc(Br)ccc1O 775541027 SKYKHFNXYLAHNQ-MOPGFXCFSA-N 432.362 4.168 10 20 IICD COc1ccc(C2(C(=O)NCc3ccc(N4CCSCC4)cc3)CCCC2)cc1OC 777309001 IVJOUYPWCRXRGT-UHFFFAOYSA-N 440.609 4.385 10 20 IICD Cc1cc(-c2nnc(N3CCC(OC[C@H]4CCCO4)CC3)n2C)c(C)n1-c1ccccc1 800731537 IVRHWBSGRMIWLN-JOCHJYFZSA-N 435.572 4.054 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C[S@@](C)=O)cc3)cc2Cl)C1 805451158 ZMTNPAUAJPUQEZ-BJLXPSRBSA-N 448.032 4.454 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC(F)(F)c1ccc(Cl)cc1 805825147 KWLHNVUDAVNWSM-UHFFFAOYSA-N 441.881 4.031 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 813802444 LZNMBKANIKLEJG-NRFANRHFSA-N 444.620 4.462 10 20 IICD C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C(F)(F)F)c1O 815591494 IYJPYYXVYHPGHQ-OAHLLOKOSA-N 442.503 4.163 10 20 IICD Cc1ccc(Br)c(C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 815655222 LMPINURZTGBLDV-UHFFFAOYSA-N 431.374 4.205 10 20 IICD COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473055 SIQJUEPZSCTVRC-LAUBAEHRSA-N 430.976 4.404 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Br)s2)cs1)c1cccnc1Cl 861700898 KYDJJABKTRDNGN-UHFFFAOYSA-N 436.765 4.483 10 20 IICD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2cc(Cl)cc(F)c2O)N1 877850663 WRMGGLNXOBAYSO-QHCPKHFHSA-N 426.875 4.394 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)Cn4ccc([N+](=O)[O-])n4)n3)c2C)cc1 916738239 XUTDQVSMHDTQKA-UHFFFAOYSA-N 436.497 4.269 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1C 917845977 OHPISAMUDYFVNS-UHFFFAOYSA-N 431.539 4.195 10 20 IICD Cc1cc(C(=O)CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)s1 918139864 GOHWZHGRUDNOKO-HUUCEWRRSA-N 432.561 4.397 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 919910430 BOJCFVBUVOJOPM-UHFFFAOYSA-N 442.991 4.244 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCN(C)CC3)c(F)c2)cc1 1115863892 PJEFSKXQVJPKFW-VWLOTQADSA-N 446.526 4.357 10 20 IICD CSCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1847844756 RFTBRFJBVYHNKD-VXKWHMMOSA-N 439.625 4.299 10 20 IICD CCOC(=O)c1c(NC(=O)CCC(=O)N2CCc3sccc3C2)sc2c1CCCC2 195690225 VXZCYIINULYLCJ-UHFFFAOYSA-N 446.594 4.169 10 20 IICD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c2ccccc12 471224344 ZAZIRKHTCPQJBG-ZCUVORPTSA-N 433.596 4.310 10 20 IICD COc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1NC(=O)c1cccnc1 726460062 UUPUTRYVIXBCTL-UHFFFAOYSA-N 449.580 4.155 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)CC2)cc1 726562905 PKTLYOJUBVDQRP-UHFFFAOYSA-N 446.507 4.209 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)c1 726628165 VCAITCHESKJIIJ-OCKHKDLRSA-N 447.534 4.135 10 20 IICD COc1ccccc1SC[C@H](C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 728948056 CVJPCBTVLXZGOD-GOSISDBHSA-N 445.654 4.476 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1F 732463524 OICINCVHZRLMDG-HSZRJFAPSA-N 446.611 4.385 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 734407347 OSZABYLQLBMBFK-BGYRXZFFSA-N 437.584 4.159 10 20 IICD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 743784371 RSOCTLXLSDNMGA-UHFFFAOYSA-N 432.568 4.497 10 20 IICD O=C(NCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(F)cc1 745813047 IKCHGUQEPHXZHH-UHFFFAOYSA-N 427.520 4.196 10 20 IICD C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(=O)c1cccc(F)c1 746187796 UNWKIABTIXHKRJ-WZONZLPQSA-N 426.532 4.308 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1 748965434 FLTAAMAESNETJN-UHFFFAOYSA-N 428.543 4.337 10 20 IICD O=C(NCc1ccnc(OC2CCCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 749423922 VJCBNNZBLUEIKI-QFIPXVFZSA-N 439.556 4.390 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(Br)cc3F)CC2)cc1F 753326246 AUNZTFYARBMNQN-UHFFFAOYSA-N 444.251 4.229 10 20 IICD C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1O 756587553 BBLMMPLATHECAD-GFCCVEGCSA-N 430.339 4.197 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 757256511 PZNYKHNVYWLLKO-UHFFFAOYSA-N 442.697 4.448 10 20 IICD COCc1nc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)n[nH]1 761877528 USLKNVSYEDPAAY-UHFFFAOYSA-N 440.447 4.232 10 20 IICD O=C(NCc1ccnc(OCc2ccccc2)c1)NCc1cccc(Br)c1O 764763422 VNSLRMNNZHYWIE-UHFFFAOYSA-N 442.313 4.128 10 20 IICD C[C@H](N[C@@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817708 ZTNFDCMIUKWLQI-AOMKIAJQSA-N 428.939 4.489 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OCC(=O)N(C)C 765381900 KYTGOQPJENUFRN-SFHVURJKSA-N 443.563 4.142 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1cccc(Br)c1O 765542763 PMLDHURXVNZJTE-GTNSWQLSSA-N 427.726 4.384 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC(F)F)c(OC)c3)cc2F)CC1 765853072 PSWRKNQJECZBAC-MRXNPFEDSA-N 437.506 4.428 10 20 IICD CCN(C)c1ccc([C@H](C)NCCCNC(=O)c2cc(OC)ccc2Br)cc1 765886645 VGTARFLRMBNGOQ-INIZCTEOSA-N 448.405 4.385 10 20 IICD COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1SC 767383361 MYFNMRWWRYASAL-UHFFFAOYSA-N 444.557 4.108 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(OCc2ccc(F)cc2)CC1 768701721 KVUSTJQYEAIURR-UHFFFAOYSA-N 443.588 4.270 10 20 IICD CN1CCN(c2ccc(CNc3cccc(C[S@@](=O)Cc4ccccc4)c3)cc2)CC1 771853063 BHCOLGMWRZSHBN-HKBQPEDESA-N 433.621 4.499 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1F 772602972 NEHRFURFHRBYJZ-CYBMUJFWSA-N 430.471 4.456 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)c2C)cc1 775189650 HVDHPTYFSQUMKF-UHFFFAOYSA-N 436.527 4.452 10 20 IICD CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Br)ccc1O 775525598 XMVDDQFJXUSPNA-RBUKOAKNSA-N 433.346 4.005 10 20 IICD CN(Cc1cc(Br)cc(Br)c1O)[C@H](CCO)c1ccccc1 775698976 WLOHTTOGMRQMHE-MRXNPFEDSA-N 429.152 4.473 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21)c1ccc(N)cc1 783487720 YTKQOIFXQZISQG-AUSIDOKSSA-N 440.547 4.379 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)C2CCCCC2)cc1 784058881 AHOGDSVFWGADFQ-UHFFFAOYSA-N 437.931 4.412 10 20 IICD CC(C)N(C)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1F 784108311 HULTUTLOIMETSG-UHFFFAOYSA-N 426.536 4.414 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 784857073 FGEZMWZXTBAOCK-GOSISDBHSA-N 436.512 4.085 10 20 IICD CCc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1Cc1ccc(F)cc1 785070572 SISOERZSWXDSAR-UHFFFAOYSA-N 435.547 4.194 10 20 IICD Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 793207714 IRUVNQVCGKFJBY-GFCCVEGCSA-N 427.542 4.023 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cnccn2)c(C)n1-c1cccc(C(F)(F)F)c1 795920557 ZWLQWHWMHBOKRB-UHFFFAOYSA-N 431.414 4.262 10 20 IICD C[C@@H](NC[C@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1Cl 800495783 FUAFDRORDGLRKO-VLIAUNLRSA-N 439.781 4.323 10 20 IICD CCCCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 803297325 RCJFODQHVFIEJD-GBXCKJPGSA-N 437.584 4.138 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1)C1CCCCC1 803677797 TUWLEVBRDMCCJI-REWPJTCUSA-N 443.632 4.029 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)C(C)=O)cc1Cl 808010448 YLDWHHUELHBUEL-DHDCSXOGSA-N 434.926 4.045 10 20 IICD OCCCOc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 809714468 JHQUZKCHVSNQCL-UHFFFAOYSA-N 431.124 4.291 10 20 IICD Cc1cc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)nn1C1CCCCC1 810346455 QBEVZDKUVMEVHR-UHFFFAOYSA-N 447.583 4.402 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccccc2C(F)(F)F)on1 812476965 DLRUAFWVQLJNMV-UHFFFAOYSA-N 449.404 4.266 10 20 IICD Fc1cc(CNCc2ccc(C3CCC3)cc2)ccc1N1CCN(c2ncccn2)CC1 815117583 HPCZNTBWXUFPQW-UHFFFAOYSA-N 431.559 4.500 10 20 IICD OC1CCN(c2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2F)CC1 917580568 BODNNFAHJROKQY-UHFFFAOYSA-N 427.467 4.292 10 20 IICD C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917712399 YBCGBYGRJOQBJO-OAGGEKHMSA-N 447.532 4.145 10 20 IICD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918209807 OVWZNTWQKHDOMO-HXUWFJFHSA-N 429.536 4.201 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(Cc2cccs2)CC1 918304846 NLTZGARRNGCYQO-UHFFFAOYSA-N 433.537 4.446 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1 918434569 PXXVKUOKZYITKV-UHFFFAOYSA-N 439.556 4.118 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4sc(N(C)C)nc4s3)cc2F)C[C@@H](C)O1 919752471 ZCZLAHCBFSOLGB-BETUJISGSA-N 448.589 4.107 10 20 IICD COc1ccc([C@H](NC(=O)N(C)Cc2ccccc2O)c2ccc(OC)cc2OC)cc1 1251789174 ICZVKSCZOIVJCU-DEOSSOPVSA-N 436.508 4.349 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1318177315 WOJNSRIVBIKZTA-QHCPKHFHSA-N 434.584 4.123 10 20 IICD COc1ccc(Br)cc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 34942852 LESZZOBFKGTLDT-GXDHUFHOSA-N 444.372 4.304 10 20 IICD Cc1cccc(NC(=O)CSCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 45644873 BRDLECWWAGNKBW-UHFFFAOYSA-N 425.598 4.316 10 20 IICD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1 108835548 JYKRPULYPBMVPQ-IBGZPJMESA-N 441.597 4.492 10 20 IICD CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 117358582 BDURQEPYQMVLNE-UHFFFAOYSA-N 438.572 4.312 10 20 IICD CC(C)(C)c1nnc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 726696696 BLGMPGQZMTUGMJ-UHFFFAOYSA-N 425.505 4.228 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3n[nH]c(C)c3C(=O)OCC)sc2C)cc1 727246859 XLRKAGGAKHOEMO-UHFFFAOYSA-N 448.570 4.080 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2c(c1)C[C@@H](C)O2 728439273 GOBBTLYMDYJLRT-CQLSMYGBSA-N 426.563 4.490 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)ccc21 728637004 GKHBTQBQLCTMHS-UHFFFAOYSA-N 432.879 4.493 10 20 IICD CSc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(C)n1 728839610 STHBZYLKEPRHIE-UHFFFAOYSA-N 440.535 4.405 10 20 IICD CCOc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)NC(C)=O 731016492 UGBGCYIBEZNBPA-DEOSSOPVSA-N 437.584 4.205 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(O)cc2)no1 731790911 VKPHPWYSZIJDHA-PTNGSMBKSA-N 429.548 4.338 10 20 IICD Cc1cc(CC(=O)N2CCCC[C@H]2CN2CCCC2=O)c(C)n1-c1ccc(Cl)cc1 732027085 WXGZFZZTLWKYAT-QFIPXVFZSA-N 427.976 4.294 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 734065661 HCPYQERRTPILPU-DOTOQJQBSA-N 434.993 4.054 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 734065663 HCPYQERRTPILPU-RDJZCZTQSA-N 434.993 4.054 10 20 IICD C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 734943624 YFBHJVMDFZGKLU-RTWAWAEBSA-N 436.600 4.109 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(C)c1C 735409212 YVZVBFVIGZNCRU-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CS(=O)(=O)Cc1nc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cs1 741850103 MZJIQGPXEQPIII-KRWDZBQOSA-N 449.623 4.023 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cccc(F)c2)NC(=O)OC(C)(C)C)cc1 742754545 PTCBHHHJZWFUNU-GUSDMMFLSA-N 427.520 4.287 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NC(=O)C2CC2)cc1 742800460 RUQVWTASOHBZQR-SFHVURJKSA-N 429.467 4.035 10 20 IICD CCSCC[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 742959591 RRPCMEATDQHPNA-UESPBHMZSA-N 428.670 4.377 10 20 IICD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(F)c1 744474785 XJUYRVFWHRPNTL-CQSZACIVSA-N 431.419 4.094 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 745813471 MXXBIEOEISJNQC-HXUWFJFHSA-N 428.964 4.132 10 20 IICD O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 745841302 LVAIWONNXNXBMB-VQTJNVASSA-N 443.975 4.405 10 20 IICD Cc1ccccc1[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 745904080 LEXSCHGWAYJHAR-PGRDOPGGSA-N 445.510 4.348 10 20 IICD COc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 745906054 VKDQPMYYJRLHOM-INIZCTEOSA-N 437.462 4.246 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746309872 JWOAPPHGPNGAKI-PKTZIBPZSA-N 443.588 4.177 10 20 IICD O=C(NCCOc1ncccc1C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O 747447224 YNZNEHAAVMJFCP-UHFFFAOYSA-N 435.402 4.190 10 20 IICD Cc1nn(C)c(=O)c(-c2nc(CN(Cc3ccco3)Cc3ccccc3O)cs2)c1C 750045345 QGWAWBXUCVNZGN-UHFFFAOYSA-N 436.537 4.022 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC1CCN(CCC(C)C)CC1 751112477 YWBJJURIGVUIKX-UHFFFAOYSA-N 440.426 4.444 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1 753903998 WPZDRYHNJJNYEF-SFHVURJKSA-N 433.512 4.297 10 20 IICD Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754052855 RUQULWWWBYCKDO-MGPUTAFESA-N 444.576 4.233 10 20 IICD C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc(Br)ccc1O 756642686 QVZUKHACSMOHBJ-CYBMUJFWSA-N 446.370 4.392 10 20 IICD CCOc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1OC(F)F 756956218 MMTUKAWWYYVWEX-UHFFFAOYSA-N 449.498 4.117 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC=C(C(F)(F)F)CC1 757602807 HGABLWSWBPJAFY-SDNWHVSQSA-N 446.541 4.451 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1 759025412 FTWHNEZEIZZCDE-UVTDQMKNSA-N 449.938 4.392 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc1F 760312469 INQDAQGWFJEUJB-INIZCTEOSA-N 425.508 4.325 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 761652107 SWNWUHHGROPLDR-UHFFFAOYSA-N 438.324 4.422 10 20 IICD C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)C1 768868607 NKTKNBHCJWGWCK-IBGZPJMESA-N 428.577 4.056 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771060078 TVNWFTDDCWIIAN-YJBOKZPZSA-N 432.923 4.174 10 20 IICD Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775138592 ORGIZGOIPNYECH-QNWVGRARSA-N 449.599 4.140 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c(C)n1-c1ccc(F)cc1 777835662 BZHJUFIUNHMXIO-IBGZPJMESA-N 449.526 4.330 10 20 IICD CCc1cnccc1[C@H](C)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 783017109 OPLCAYGGRQSDHE-JKSUJKDBSA-N 427.504 4.097 10 20 IICD COc1cc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1F 783485673 KGVAAJSWUKFXMI-AWEZNQCLSA-N 425.435 4.289 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1C(=O)NC(C)C 784059202 GOVGAPRILWCQAZ-UHFFFAOYSA-N 436.556 4.020 10 20 IICD CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cc(O)cs1 786000851 AEGLDVOJKSRGGN-CQSZACIVSA-N 426.332 4.046 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1C(F)(F)F 790541715 JWMVNBRZDTVNOD-UHFFFAOYSA-N 437.462 4.244 10 20 IICD CC(C)Cc1ncc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 791982951 FBCQPAGUBVYKDW-MHWRWJLKSA-N 446.623 4.357 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NCc1ccc(OCc2ccccc2)cc1O 809695518 NRJMFCMHJKOYQR-UHFFFAOYSA-N 427.522 4.137 10 20 IICD CC[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(C(F)(F)F)cc1O 810211576 FGWAPLPLBQLVHQ-FQEVSTJZSA-N 438.490 4.363 10 20 IICD C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)Nc1ncccn1 814771941 JQUYOGBEJIOGQH-ZRRZQRFHSA-N 426.548 4.422 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 917525103 YPFJFMCKYKAWMJ-CJLVFECKSA-N 444.564 4.124 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)oc2ccc(Cl)cc12 917834346 XAIAQRBOQQAJGN-INIZCTEOSA-N 425.916 4.026 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 918036816 DFWVADUAQQHVQY-UHFFFAOYSA-N 430.936 4.441 10 20 IICD CC(=O)Nc1cccc2c1CCN(C(=O)NCCc1cc(C)n(-c3ccccc3)c1C)C2 918062659 AJXGFQGJPSAEGZ-UHFFFAOYSA-N 430.552 4.363 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1 918228359 IQUOTJJJKPZLAA-JOCHJYFZSA-N 439.560 4.155 10 20 IICD CCOC(=O)c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919919341 ORNCIMUMIBBACQ-UHFFFAOYSA-N 435.524 4.434 10 20 IICD Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920871003 VPRXBMODVAZCHT-IAGOWNOFSA-N 446.389 4.272 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920872519 VHSZUBKKWIXTDB-ZCNNSNEGSA-N 438.572 4.020 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)c2ccc(C)s2)cc1 1318502462 HCYDOEGVYADYKL-UHFFFAOYSA-N 437.565 4.094 10 20 IICD CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 18150615 RXTRJHRLJIWAFN-UHFFFAOYSA-N 439.585 4.121 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(C)n1-c1ccc(Br)cc1 111076158 PCORTZAEUCKRAX-MRXNPFEDSA-N 433.346 4.082 10 20 IICD Cc1c(CNC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)n(C)c2ccccc12 472224145 SHLLVDPIHFRXQI-UHFFFAOYSA-N 431.439 4.158 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726097401 KCCFKVNZBJOWMQ-AZUAARDMSA-N 430.593 4.122 10 20 IICD C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 726613187 OKBTULRGNVWJHP-CQSZACIVSA-N 434.443 4.225 10 20 IICD O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O 728754825 RAGNKOMBVIUWIV-QFIPXVFZSA-N 433.552 4.262 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 728984751 TYZAXYVWVAIFDS-BZSNNMDCSA-N 440.540 4.060 10 20 IICD O=C(NCCCSc1nccs1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 733973362 GPAWPFPGYGOIKA-OAHLLOKOSA-N 444.409 4.353 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 734645704 IZTPYOXVPCWHNF-UHFFFAOYSA-N 436.478 4.238 10 20 IICD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 737165220 BFCILABBHXHUBV-UHFFFAOYSA-N 443.466 4.109 10 20 IICD Cc1cc(C(=O)N2CC[C@H](CN3CCCC3)C2)c(C)n1-c1cccc(Br)c1 739786158 QPBMLHHOODHYSH-GOSISDBHSA-N 430.390 4.415 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cc21 740604569 ILRZLLPGXZYKBW-UHFFFAOYSA-N 427.570 4.023 10 20 IICD Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 744473732 KBFUULPUFPWWPP-INIZCTEOSA-N 427.456 4.263 10 20 IICD O=C(COc1ccccc1OCC(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn12 751306055 PFOGVRDOTVGPJV-UHFFFAOYSA-N 442.397 4.355 10 20 IICD C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 751356264 RIHHRNJWPKGHRP-RDJZCZTQSA-N 440.455 4.388 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(S(C)(=O)=O)cc1 753196754 XBWKLILXXSWHFG-SFHVURJKSA-N 440.565 4.082 10 20 IICD C[C@@H](N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756611572 TZRVOWWZNJCHML-PEBXRYMYSA-N 444.484 4.283 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)cc1F 758678419 HIJNTCMLTPHGJZ-FQEVSTJZSA-N 425.508 4.147 10 20 IICD COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 759370302 SXPAJENRKAJYLM-LJQANCHMSA-N 438.568 4.398 10 20 IICD CCCCc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 759929708 ZHIZWGOKGSQELI-UHFFFAOYSA-N 427.545 4.409 10 20 IICD OCC1CCN(c2ccc(CNC3CCN(Cc4c(F)cccc4Cl)CC3)cc2)CC1 765297845 RMDOASAUKKTWDP-UHFFFAOYSA-N 446.010 4.442 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(-c2ccccc2)cc1F 765924760 ATVMKXSJDBRVQM-UHFFFAOYSA-N 443.272 4.216 10 20 IICD Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc(OC(F)(F)F)cc1 767766592 PLZOCKBSMPYVMZ-LJQANCHMSA-N 447.461 4.141 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2ccc(F)cc2)CCOCC1 768916505 RROHXISGEXFOMR-OAQYLSRUSA-N 446.950 4.014 10 20 IICD C[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(N2CCCCC2)cc1 773002539 WACASOZMIGOSQB-OAQYLSRUSA-N 441.641 4.322 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 784026186 RHYWMYPRZVBPDA-UHFFFAOYSA-N 434.496 4.005 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)CCO)cc3C)c2C)c1 787802227 AWKAEQROADJKQB-UHFFFAOYSA-N 440.565 4.038 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 788933506 WMEMYWAAROPEIO-HXUWFJFHSA-N 436.581 4.122 10 20 IICD CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 790409404 QKQZZTDSKQTITM-INIZCTEOSA-N 441.933 4.193 10 20 IICD C[C@@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1O 790500007 AXFNGKSHZNWMTO-GFCCVEGCSA-N 434.290 4.472 10 20 IICD O=C(c1cccc(O)c1O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 790679236 XCXNSQCSQBSBAF-OAQYLSRUSA-N 437.540 4.427 10 20 IICD CNC(=O)COc1ccc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1 794416065 TVGJTZDPHGFVTK-UHFFFAOYSA-N 439.943 4.362 10 20 IICD COc1ccc([C@@H](O)CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 799995000 WIADWDMROYKOMJ-ZHRRBRCNSA-N 431.964 4.118 10 20 IICD CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800517122 KUXFXXGTMOAGHK-MRXNPFEDSA-N 428.964 4.187 10 20 IICD CC1(C)CC[C@@H]2C[C@H](NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c3cccc1c32 807291620 KYUYLZPKEODWCI-XXBNENTESA-N 429.564 4.095 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)c2c(C)nn(C)c2C)sc(C)c1-c1ccc(F)cc1 830139055 INCFSRMZDPZEME-UHFFFAOYSA-N 443.500 4.211 10 20 IICD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 914454869 DYVNMIYHCFLEMU-SANMLTNESA-N 445.563 4.410 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2nccn2Cc2ccccc2)c(C)n1-c1ccccc1 915363288 WBFHIYAPSFYPRF-UHFFFAOYSA-N 447.560 4.137 10 20 IICD CC(=O)c1cc(CN(C)Cc2ccc(Cl)cc2Cl)c(O)c(CN2CCOCC2)c1 915821157 PBQDQHRNQSVLEZ-UHFFFAOYSA-N 437.367 4.366 10 20 IICD CCCCN(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 915863089 SLWHTQJXQBPTLY-UHFFFAOYSA-N 434.370 4.175 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 917380490 AJYDSLSPSHAOSX-UHFFFAOYSA-N 432.364 4.491 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cc(Cl)cc(Cl)c3)cc2)C1 917595981 JVTDSLAAEKQUCW-CQSZACIVSA-N 437.396 4.182 10 20 IICD CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918299066 HQZNUKALNSHHTK-UHFFFAOYSA-N 430.464 4.470 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)Nc1ccc(Br)cc1 918691860 JIFYEDLDBCLSCC-UHFFFAOYSA-N 447.377 4.075 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 919925407 VYLLXMRPDCVYOF-UHFFFAOYSA-N 439.600 4.431 10 20 IICD C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(N2CCOCC2)cc1 920881311 MMPJOPJEGFLUNE-MRXNPFEDSA-N 425.529 4.206 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cccc(COCC3CC3)c2)c(C)n1-c1ccccc1 920922968 UFJOCMVHJSNHIP-UHFFFAOYSA-N 445.563 4.318 10 20 IICD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(Cl)cc1 1847409904 VSBJOJUNGWWWQY-UUWFMWQGSA-N 449.334 4.024 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2)n1 301747588 DZKQBNDDOLWUPR-VWLOTQADSA-N 432.568 4.377 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCc1c(C)c2ccccc2n1C 471288242 NLARWUUHZOCZKR-UHFFFAOYSA-N 436.581 4.306 10 20 IICD CCOc1cccc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)c1OC(F)F 726196883 FRVGOQZLTWNAGD-RIYZIHGNSA-N 425.482 4.309 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(OCc4ccccn4)c3)CC2)cc1 726613257 JPFDYCDPYXJXMV-UHFFFAOYSA-N 446.551 4.137 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1 727246063 IWPXMMSNEBQKHF-UHFFFAOYSA-N 428.491 4.452 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 727251447 YYRYFCHUWFTDLJ-UHFFFAOYSA-N 444.868 4.329 10 20 IICD CCOc1ccccc1[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)NC(C)=O 728264258 AGWUUBIRUKKXJQ-XMMPIXPASA-N 437.584 4.302 10 20 IICD CN(c1ccc(CNC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1)C1CCCCC1 729601699 TVUTYWLGZSZWOB-NRFANRHFSA-N 434.584 4.340 10 20 IICD CCN1CCN(c2ccc(CN=c3nc(-c4ccncc4)[nH]c4ccccc34)cc2F)CC1 730108899 VJGSIBVQUYCECG-UHFFFAOYSA-N 442.542 4.007 10 20 IICD C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 730277938 DVSJLNVZPYGVCM-SFHVURJKSA-N 449.526 4.137 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1 732911415 ZCGYWEVBVRJBMA-UHFFFAOYSA-N 446.941 4.459 10 20 IICD CC(C)n1ncc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21 737118339 SEAPXQNWGFVEOZ-UHFFFAOYSA-N 433.556 4.205 10 20 IICD COc1cc(Br)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC 741062174 IHFXTMFSTDTMOT-UHFFFAOYSA-N 432.318 4.164 10 20 IICD CCN1CCN(c2ccc(CNC(=S)Nc3cc(OC)ccc3Cl)cc2F)CC1 742999019 VWQVXNFUFYSAAO-UHFFFAOYSA-N 436.984 4.116 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C 743047066 WEEAUCNRGJPDFV-UHFFFAOYSA-N 430.477 4.463 10 20 IICD O=C(Nc1ccc(-n2cccn2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743084906 RDHGXEXACWABAX-KRWDZBQOSA-N 427.455 4.264 10 20 IICD CC1CCN(CCCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 743547251 CBZWEUDLAAQLDO-LJQANCHMSA-N 438.563 4.068 10 20 IICD C[C@H](NC(=O)NCCCSc1nccs1)[C@@H](OC1CCOCC1)c1ccccc1 747419982 NUGKAYJWBSHXHE-QFBILLFUSA-N 435.615 4.250 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)C2CC(F)(F)C2)sc(C)c1-c1ccccc1 754116748 VKIJPWRJDUPHDO-UHFFFAOYSA-N 437.464 4.427 10 20 IICD O=C1C[C@H](N2CC[C@H](C3CCOCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 754686261 IYCSDPGCAKOZNW-CVDCTZTESA-N 432.524 4.482 10 20 IICD CC[C@H](NCc1cc(Br)cc(OC)c1O)[C@@H](c1ccc(C)cc1)n1cncn1 756043781 BMGGXLQHTZCMGB-AZUAARDMSA-N 445.361 4.221 10 20 IICD COc1cc([C@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)ccc1OCCO 756457671 JVGOGMVOXYRBML-NWDGAFQWSA-N 428.298 4.085 10 20 IICD O=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C(F)(F)F 758164147 UXTAUGAANZOEIJ-UHFFFAOYSA-N 430.187 4.217 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3c(F)ccc(F)c31)c2[N+](=O)[O-] 760782892 ZIOLSLYGWKYLET-UHFFFAOYSA-N 448.381 4.241 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C2CC2)cc1 763626924 MTPLMYQCQZPPJO-NRFANRHFSA-N 427.589 4.281 10 20 IICD C[C@@H]1CN(c2ccc(CNC3CCN(CCc4ccc(F)cc4)CC3)cc2F)C[C@@H](C)O1 765128440 VMBODMPXGQZVOJ-WOJBJXKFSA-N 443.582 4.375 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(C(F)F)ccc3Cl)cc2)C1 769010694 NUSWVHTZLSMQOH-OAHLLOKOSA-N 436.890 4.301 10 20 IICD O=C(NCc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O 774662047 HOCDATSWLVRKEI-UHFFFAOYSA-N 433.291 4.137 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(C(F)(F)F)cc3)C(C)C)nc12 775540208 RWPQJHDHODUJQS-GOSISDBHSA-N 436.434 4.117 10 20 IICD COc1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC(=O)C1CC1 776175056 GAGDJFDDZJFGIQ-FQEVSTJZSA-N 444.959 4.124 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2nn3cc(-c4cccnc4)nc3s2)cc1 782355825 SPZKYQLEPKHSRK-FQEVSTJZSA-N 434.569 4.104 10 20 IICD Cc1nc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2s1 782425166 OEQAXWAGEAUIQH-UHFFFAOYSA-N 448.548 4.431 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C2CCCCC2)cc1 784058462 VTIDPOKEWOBVGL-UHFFFAOYSA-N 427.455 4.387 10 20 IICD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2O1 785979748 BVVQZNJWPMZLFM-DEOSSOPVSA-N 436.464 4.050 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(Br)c(F)cc3F)CC2)cc1 786167835 WJQAURLTEPTQJZ-UHFFFAOYSA-N 440.288 4.480 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)s1 789727293 KQBMSRJTJFRYAS-UHFFFAOYSA-N 445.950 4.101 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1F 790714156 LWLPYGNYOAWGMC-INIZCTEOSA-N 435.565 4.026 10 20 IICD Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800719878 ORVPENAIZPTWAI-YCRPNKLZSA-N 445.995 4.199 10 20 IICD CC(C)(C)CCOc1cnccc1CNC(=O)NCc1cccc(Br)c1O 807610851 LROJUCUBPQVBLC-UHFFFAOYSA-N 436.350 4.364 10 20 IICD COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(Cl)c1 808237697 BYPRJEZEISDXSX-QYWGDWMGSA-N 449.954 4.280 10 20 IICD Cc1cc(C(=O)N[C@H]2CCc3nc(N)sc3C2)c(C)n1-c1ccccc1Br 819733343 KJLLIXQALCQLGJ-ZDUSSCGKSA-N 445.386 4.183 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cccc4cc(C)cnc34)n2)cc1OC 861546522 BTNYGXSVWSSKNG-UHFFFAOYSA-N 441.534 4.485 10 20 IICD O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 915303559 HZDVHHARWSFVLT-UHFFFAOYSA-N 444.543 4.226 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1 915749483 WTLLMSYVFUORAK-UHFFFAOYSA-N 440.341 4.154 10 20 IICD O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O 1251483502 ZDDGTDBSCGHNQW-NRFANRHFSA-N 433.508 4.002 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(Cc4cccs4)C3=O)cc2F)CC1 1321782799 AARNRESBFJLSTG-PDGQHHTCSA-N 433.599 4.040 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1 1329851927 AILVSCNYDACZAZ-MRXNPFEDSA-N 433.455 4.174 10 20 IICD C[C@@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 1337858777 LXDWOBGUWCVUOJ-OAHLLOKOSA-N 435.387 4.255 10 20 IICD CC1=C(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)CCO1 1788328821 XCHSYCQSKKDECE-UHFFFAOYSA-N 442.899 4.193 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3sccc3Cl)cc2)CCC1)c1cc(O)nc(O)c1 1789900156 FJURNSJYQPACCO-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Cc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1796996840 OHBIMGPBIWQJAP-VILGAWFOSA-N 442.563 4.363 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccno4)C3)CC2)cc1 1808330123 YZKTWCQYQGXBCA-UHFFFAOYSA-N 446.551 4.241 10 20 IICD CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc(O)c(O)c4)n3C)cc2C1 23541211 MVVGKAFBVKEWQG-GFCCVEGCSA-N 429.567 4.445 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)ccc2Br)cc1 105002377 XFPMDRDHOSIUTL-SFHVURJKSA-N 435.337 4.476 10 20 IICD COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)CC2)cc1 302917471 QRFFBFPWDHYHBK-UHFFFAOYSA-N 444.457 4.171 10 20 IICD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(C4=S=CC=C4)o3)cc2)c1 544008149 PDMLSPYVGDTANO-UHFFFAOYSA-N 439.514 4.353 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 725870129 ADFMHMBBNIYTLX-HSZRJFAPSA-N 425.573 4.245 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(SC)cc2)nc1-c1ccccc1 727251369 UKPLLCRDKCOXOW-UHFFFAOYSA-N 434.564 4.048 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1cccc(Br)c1 727739476 OCGPQCLLHABPHB-UHFFFAOYSA-N 446.389 4.187 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(OC(F)(F)F)c3)cc2F)CC1 730132789 FXHJXSFWMBKGLR-UHFFFAOYSA-N 440.441 4.188 10 20 IICD CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1c(F)cccc1F 731015129 JBFZAGSUJKZIEW-JOCHJYFZSA-N 429.511 4.085 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)cc2)CC1 731119745 KZCMMYXLGHWHTI-NRFANRHFSA-N 444.620 4.321 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCOc2ccc(F)cc21 731760001 ZINKNXJPDNDHOX-IBGZPJMESA-N 435.446 4.219 10 20 IICD Oc1ccccc1CN(Cc1ccco1)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 731844672 UGYHMJRHABFGOU-UHFFFAOYSA-N 429.402 4.182 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(F)cc1F 732526247 XIDZNEVNJNDODY-UHFFFAOYSA-N 442.440 4.123 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 734218486 UQZABWXYWHGATJ-HXUWFJFHSA-N 430.593 4.218 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 734650769 HEBGFRAQGPNGNW-UHFFFAOYSA-N 437.565 4.357 10 20 IICD O=C1/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2 735331133 YJMIVGURLTWEOV-CNHKJKLMSA-N 425.466 4.146 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccc(Br)cc2Cl)cc(OC)c1OC 741795954 WODZJWHLWGIKBI-UHFFFAOYSA-N 443.725 4.203 10 20 IICD O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2ccccc2c1 742334290 JLVYDSMWLFBYOG-GOSISDBHSA-N 432.492 4.389 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1SCCc2ccccc21 742553094 XXHJIOPCVSZEGA-HXUWFJFHSA-N 436.499 4.189 10 20 IICD COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1OC 743421421 DFMVEJOKIVWQPM-UHFFFAOYSA-N 439.556 4.036 10 20 IICD CC(C)N1CCN(c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CC1 743429911 ZZRVDENXZLTUGF-UHFFFAOYSA-N 433.552 4.358 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](c1ccccc1)c1nccn1C 745389514 NRCBISLIUVSADC-IBGZPJMESA-N 443.345 4.209 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745829238 XELHKZHVANIOAJ-GOSISDBHSA-N 432.515 4.131 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 747473562 HPBSGXQSXVYYBW-FCHUYYIVSA-N 443.385 4.078 10 20 IICD O=S(=O)(c1ccc(F)cc1Br)N(Cc1ccccc1O)C1CCCC1 751356162 NZFRDKDECBPNDK-UHFFFAOYSA-N 428.323 4.427 10 20 IICD C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1ccc(Br)cc1O 756458996 VUMQTOVDQMRIOT-SECBINFHSA-N 429.108 4.497 10 20 IICD C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)cc(Cl)c1O 756470323 NWSPAHROCNJFAN-JTQLQIEISA-N 433.755 4.030 10 20 IICD COc1cc(N2CCN(C(=O)/C(C)=C\c3ccccc3Cl)CC2)cc(OC)c1OC 759236452 BZSQIKKFAIMQFF-SSZFMOIBSA-N 430.932 4.118 10 20 IICD CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761983378 QZBQKZZMRLLHDG-KRWDZBQOSA-N 449.020 4.384 10 20 IICD C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(N2CCOCC2)c(F)c1 765255141 OSSGMYUVPVZMHY-SFHVURJKSA-N 434.515 4.160 10 20 IICD COc1ccc(Cl)cc1N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 765643891 KEEGXWJBGRLGSC-VQIMIIECSA-N 433.955 4.254 10 20 IICD CC(C)O[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 766104823 OAMNAAMJHGIZEN-OALUTQOASA-N 425.520 4.148 10 20 IICD COc1cc(O)c(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1OC 768447694 RVDLVEHDCXDSNJ-UHFFFAOYSA-N 449.345 4.023 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(N2CCOCC2)cc1 775254809 JSFMIVNWFWNIFS-OAQYLSRUSA-N 436.600 4.193 10 20 IICD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc(C(F)(F)F)n1 778384844 NWQGXKALKSPAAS-UHFFFAOYSA-N 435.377 4.390 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1 779692240 COHAJPFWDNZEFC-LJQANCHMSA-N 428.920 4.468 10 20 IICD COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1OC 780907246 NXYXOHZQFAVECY-UHFFFAOYSA-N 437.452 4.320 10 20 IICD CCOC(=O)c1ccsc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483251 PYLUTWPHHROJND-HNNXBMFYSA-N 437.521 4.240 10 20 IICD Cc1nc(-c2ccccc2NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)no1 783487053 TXEDMHHEEFKHNF-MRXNPFEDSA-N 441.491 4.360 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1F 788936191 IKMCMFVVEJJYOW-OAQYLSRUSA-N 431.939 4.209 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cnc1C 794015343 BMZJYCWVSZOLIF-UHFFFAOYSA-N 437.930 4.063 10 20 IICD O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 795850409 IVYAHROTNPKGGB-HNNXBMFYSA-N 449.878 4.434 10 20 IICD Cc1cc(C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 798059189 QFSYYROZUWJHMF-UHFFFAOYSA-N 447.539 4.077 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 798249109 WFHQXWBUVQRYJA-UHFFFAOYSA-N 438.484 4.078 10 20 IICD C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807290363 VYOGAUNLLAKAKC-HNNXBMFYSA-N 432.351 4.205 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C 807403942 TYIUCGCVGYKIJQ-MGPUTAFESA-N 434.378 4.378 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCc1cc(Cl)cc(Cl)c1O 807835259 BUFWQMFWYGZFLR-AWEZNQCLSA-N 429.344 4.352 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1I 807840166 SBTCHTOYEANMEW-UHFFFAOYSA-N 440.039 4.373 10 20 IICD COc1ccc(-c2nsc(NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)n2)cc1 809928297 NEWQSRDBAHBDQJ-UHFFFAOYSA-N 439.541 4.013 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccoc3C3(O)CCOCC3)c2C)c1 815450063 MXOVIMWJPOHSFU-UHFFFAOYSA-N 437.492 4.033 10 20 IICD Cc1nc(COc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2)no1 914455383 YQNUCKNTXFBTRR-UHFFFAOYSA-N 446.507 4.459 10 20 IICD OC1CCN(c2ccc(CNC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2F)CC1 917581320 UZHMYPNLWKZPON-UHFFFAOYSA-N 443.466 4.172 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 917697698 JTUNSHFVBDROSJ-UHFFFAOYSA-N 435.977 4.223 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C 917758137 JNDHTHZJBBKGEF-UHFFFAOYSA-N 430.551 4.224 10 20 IICD CC(C)OCc1ccccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918209798 IIMUCELDTKAZOI-RTBURBONSA-N 443.563 4.364 10 20 IICD Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1320249441 ZVZIFOHEQLYBRC-FUHWJXTLSA-N 434.627 4.317 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccc2cc[nH]c2c1 1788913718 HEYFINBEHYACBE-UHFFFAOYSA-N 442.475 4.036 10 20 IICD CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1830740076 BRFGWJCYDPOYIY-LJQANCHMSA-N 448.991 4.421 10 20 IICD Oc1ccccc1CN(Cc1nc(-c2cccc(Br)c2)no1)C[C@@H]1CCCO1 96971087 ZQQUKBZRDVXFPM-SFHVURJKSA-N 444.329 4.386 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCOc1ccc(Br)cc1 437027665 UIIRUOFFLFHWJC-UHFFFAOYSA-N 433.346 4.490 10 20 IICD Cc1ccccc1C1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 726518724 OAIVYARHMUBPGN-UHFFFAOYSA-N 440.455 4.140 10 20 IICD CC(=O)c1cccc(O[C@H](C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726567547 QFDOURPAKYUBES-MRXNPFEDSA-N 432.467 4.043 10 20 IICD Cc1cc(C(=O)CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1cccc(F)c1 728915122 MZMBNYFBLSTILW-SFHVURJKSA-N 439.575 4.386 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c1 728945760 IOVYGUSEDVAVII-CEXWTWQISA-N 425.573 4.439 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(NC(=O)NC(C)C)cc3)cc2)CC1 731049794 PBFXRMXPYINTCK-UHFFFAOYSA-N 437.588 4.452 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(OC(F)F)cc1 733836631 OJEPZLWTXDHSCG-XFHUWUJUSA-N 433.451 4.377 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734067032 DXKQRGPQXVLHFG-KRWDZBQOSA-N 437.462 4.491 10 20 IICD O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735518629 XMEDOYUOWKMOQY-KRWDZBQOSA-N 438.505 4.066 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc3cccnc23)nc1-c1cccc([N+](=O)[O-])c1 735916077 BUGYRUASTZZZOS-UHFFFAOYSA-N 426.479 4.376 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c1O 738120467 SCFSIGDTIAKMBF-UHFFFAOYSA-N 448.494 4.319 10 20 IICD Cc1cc(C(=O)CN2CCn3c(Cc4ccccc4)nnc3C2)c(C)n1-c1cccc(F)c1 741793853 BUSUYDSDNGBKHD-UHFFFAOYSA-N 443.526 4.114 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)cc1)C1CCCCC1 743414809 XGXAIMWUIOUCTE-UHFFFAOYSA-N 432.524 4.365 10 20 IICD Cc1csc(CCCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 743582982 JEOGCMLNXLDHRV-MRXNPFEDSA-N 438.544 4.344 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 746473518 URTBKIGNEFUKCS-LEWJYISDSA-N 428.558 4.328 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)ccc21 746982640 GFPXCFLDGQVSNM-UHFFFAOYSA-N 433.512 4.305 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 750862106 RRIGMVZOYISOLM-UHFFFAOYSA-N 445.441 4.318 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC3CCC(N4CCCCC4)CC3)cc2F)C[C@H](C)O1 751086232 WUDYNMYUXFNZOX-CDNGDFIJSA-N 446.611 4.036 10 20 IICD Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751308177 RTBIXJSRYZFPEX-QGZVFWFLSA-N 445.548 4.404 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(Br)c(F)cc1Cl 751557070 TXAMYZBKNDONRS-UHFFFAOYSA-N 442.716 4.400 10 20 IICD CC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 755046724 UWENXYYXYMHPRW-PKOBYXMFSA-N 447.526 4.067 10 20 IICD C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(Br)c(F)cc1O 756461787 VSRSHHIVYCPRSO-BUXKBTBVSA-N 437.309 4.262 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1 757551506 LZDSLGGWLGMKAZ-UHFFFAOYSA-N 432.454 4.283 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)cc1 758416746 QZYKZTCELMQDCK-FHXOWUIVSA-N 429.519 4.041 10 20 IICD CCOc1cc(Cl)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 759499674 VKPYRMRVCTWMAP-UHFFFAOYSA-N 429.948 4.326 10 20 IICD CN(C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 759594896 NZWCMVJMZKJWCI-NZJRQSCKSA-N 435.451 4.041 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)ccc2Br)cc1 761882763 VYFULUZULBQADC-UHFFFAOYSA-N 432.362 4.201 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCc1ccc(N2CCCCC2)cc1 763566180 YJLSRULCGOGEJV-OAQYLSRUSA-N 427.589 4.330 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Br)c(O)c1 764456987 LKBOCLGXXBNWMH-UHFFFAOYSA-N 429.108 4.285 10 20 IICD O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(Br)c1O 766201346 RDRRKPLDLGWDOT-UHFFFAOYSA-N 425.131 4.081 10 20 IICD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)COC(=O)c2sccc2-n2c(C)ccc2C)c1 768014052 QYPHXYMFIARBRS-UHFFFAOYSA-N 449.536 4.353 10 20 IICD COc1ccc(CCN(Cc2ccsc2)Cc2cc3c(cc2O)OC[C@@H]3O)cc1OC 768464779 VJJGLLPOMJFOFB-NRFANRHFSA-N 441.549 4.142 10 20 IICD CN1CCN(c2ncc(CN(Cc3c(O)ccc4ccccc34)C3CCCC3)cn2)CC1 769385639 YLZMVUQHWOTRHQ-UHFFFAOYSA-N 431.584 4.032 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccccc2CN2CCC[C@H]2CO)c1O 779050966 SILMYBVXFVXZLQ-JXFKEZNVSA-N 433.390 4.271 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3ncccc3c2)cc1 782420600 NSMFKWOZGDXDQG-UHFFFAOYSA-N 428.492 4.061 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccc(N)cc1 783487089 ULDXAOWITKMVRL-KRWDZBQOSA-N 443.482 4.327 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1C(F)(F)F 785192381 LIIVUXNTFPBGBR-UHFFFAOYSA-N 445.235 4.161 10 20 IICD Cn1ccc2cccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)c21 788486359 UMXBTMWULUGKGE-UHFFFAOYSA-N 425.400 4.114 10 20 IICD CCc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1Br 789894016 KCFCDMJEFUOZNH-UHFFFAOYSA-N 431.334 4.236 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1c[nH]c2ccc(OC)cc12 791251097 ZKENRKFYZAZVAU-UHFFFAOYSA-N 437.540 4.108 10 20 IICD CC[C@@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccc(C)cc1O 794812688 YSUGBSPASBCAAN-OAQYLSRUSA-N 426.557 4.124 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(Cl)c1O 797039853 LFNAPHKVLHIBDX-TZMCWYRMSA-N 430.774 4.139 10 20 IICD CCN(C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)c1cc2ccccc2o1 804317666 LMLHOXTYUJISEM-SFHVURJKSA-N 449.551 4.136 10 20 IICD CCOC(=O)c1nc(=NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc(C(C)(C)C)[nH]1 804417315 VAWNPPHRESCPRI-UHFFFAOYSA-N 448.514 4.055 10 20 IICD COc1cccc(CNC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1O 807600276 AWIDLUGZVRTEGN-UHFFFAOYSA-N 441.528 4.088 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cc(Cl)ccc1Br 811822459 AHIWBUHWRRSKLZ-UHFFFAOYSA-N 430.736 4.422 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 813871676 QCNMCIPHSYDUTP-SGTLLEGYSA-N 439.375 4.450 10 20 IICD O=C1N[C@@H](c2ccc(N3CCCCC3)c(Br)c2)N2CCc3ccccc3[C@@H]12 877857046 KTYMUWBBEAQSEU-LEWJYISDSA-N 426.358 4.167 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1OC 914070186 UTZXGGKVFKVZGK-ATVHPVEESA-N 448.591 4.385 10 20 IICD CC(=O)Nc1ccc(OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914221904 FSVHQAZWSFMWHC-ATVHPVEESA-N 446.575 4.294 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 915347584 QJISGITWRUEVLB-UHFFFAOYSA-N 436.478 4.489 10 20 IICD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc(N2CCSCC2)cc1 917386627 IJCYVMWTXJLNPH-IBGZPJMESA-N 448.013 4.013 10 20 IICD CCOCCCNC(=O)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 917475422 QIBRLQRIASZOAZ-UHFFFAOYSA-N 449.389 4.063 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C)cc1 917846539 SSQDQAZRAQHGNU-UHFFFAOYSA-N 439.902 4.490 10 20 IICD CCOC(=O)c1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1Cl 918053082 HPMWEBKBKNCAQB-UHFFFAOYSA-N 433.961 4.392 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C2CC2)cc1 918069020 IKAAAPSMHJLPLN-UHFFFAOYSA-N 435.494 4.343 10 20 IICD C[C@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920870110 ZRSGDBXOJRSLDD-NRFANRHFSA-N 436.600 4.070 10 20 IICD Fc1ccc(N2CCN(c3cc(CNCc4ccc(N5CCCC5)cc4)ccn3)CC2)cc1 1318368711 YZESPVRWBYAHTN-UHFFFAOYSA-N 445.586 4.437 10 20 IICD O=C(/C=C/c1ccsc1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788424173 CPFIXGVEKMEVES-FARCUNLSSA-N 435.505 4.015 10 20 IICD N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 302979822 JKZQJZRDKREPAA-UHFFFAOYSA-N 429.495 4.255 10 20 IICD Cc1noc2ncc(NC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)cc12 725738274 MVLFFFXGKAZWGH-DHDCSXOGSA-N 444.563 4.213 10 20 IICD O=C(NCCSCc1cccc2ccccc12)NCc1ccc(N2CCOCC2)cc1 726237724 ZMDRSVZOXLMBGX-UHFFFAOYSA-N 435.593 4.409 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3cccc(Br)c3)CC2)cc1 726613487 FXUPERVMQVTXIG-MRXNPFEDSA-N 446.389 4.357 10 20 IICD C[C@H]1CN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCCO4)cc2F)C[C@H](C)O1 727276819 NIVMJIOGEZWVQR-HOTGVXAUSA-N 445.560 4.087 10 20 IICD CC1=NN(c2ccc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)cc2)CC1 728836225 VYSPCDZQGZLQIE-UHFFFAOYSA-N 441.535 4.017 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1 731936679 APXUGFUBMQWVOJ-UHFFFAOYSA-N 434.487 4.366 10 20 IICD Cc1ccc(C[C@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 733647475 RIJMXIIFKGTAOR-OAQYLSRUSA-N 425.548 4.012 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCSC[C@H]2c2ccc(C)cc2)c1 738245157 LDFVIKCLOMHYMY-DEOSSOPVSA-N 440.609 4.026 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 741097317 ODCFBPKLDWHLCK-HXUWFJFHSA-N 441.531 4.458 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)N[C@@H]2CCOc3ccccc32)cc1 741479283 PGJGQRASTOBVQY-RBBKRZOGSA-N 425.598 4.132 10 20 IICD O=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743075489 MYFZKSSZLKHGSL-MRXNPFEDSA-N 433.455 4.240 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(CCC(=O)OC)cc1 743150238 PRLYGWFGFJCCDN-UHFFFAOYSA-N 435.318 4.314 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 745405180 YWYHCIVKFIOZML-UHFFFAOYSA-N 431.964 4.340 10 20 IICD CCNC(=O)N1CCc2ccc(NC(=O)NCc3ccc(N(CC)CC)c(F)c3)cc21 746031641 BPGOLGRWNOQLLM-UHFFFAOYSA-N 427.524 4.086 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 746318912 WBLBGXUWDHUNAN-GLYQVZKVSA-N 441.547 4.021 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2cccc(Br)c2)C1 748824792 JAYGOGJCGNUAQA-NRFANRHFSA-N 444.373 4.332 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)n2)cc1 751587930 KKEKMFCMWSWXLC-KRWDZBQOSA-N 432.571 4.111 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(Cl)c(F)c(Cl)c3)cc2)C1 755508520 FONWCLKDNQTYQM-ZDUSSCGKSA-N 439.318 4.156 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nnc(C(C)(C)C)s2)cc1 758891570 ZFHXJIFLPONURR-UHFFFAOYSA-N 427.574 4.407 10 20 IICD C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 759589947 VGYAKGULKRMDSC-QHIITQONSA-N 433.460 4.260 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 764771295 WSSHUUGGXARTKF-UKRRQHHQSA-N 440.135 4.273 10 20 IICD Cc1cccc(NC(=O)NCc2cccc(Br)c2O)c1C(=O)N1CCCC1 765235446 TULGIUUFQQDFPP-UHFFFAOYSA-N 432.318 4.021 10 20 IICD C[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(N2CCCCC2)cc1 765868651 RVEWXUWPBFORKF-BWKNWUBXSA-N 434.628 4.225 10 20 IICD Cc1cc(Sc2ccccc2)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 769732464 PEKUKEGZJBNDAI-UHFFFAOYSA-N 428.535 4.476 10 20 IICD CN(C)c1ccccc1N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 772221143 RWLGNFLWWFWPIT-NBVRZTHBSA-N 445.635 4.459 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)Sc2ccc(Br)cc2)c1O 775024661 AMYLJMDOSIDLSF-LLVKDONJSA-N 427.320 4.342 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H](C1CCCCC1)C(F)(F)F 775995024 PFAXAKHMJJASSU-IBGZPJMESA-N 431.474 4.097 10 20 IICD COc1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)nn1C 776106426 NPIQKOXJNKULTP-UHFFFAOYSA-N 425.489 4.351 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 777827581 CZEYFTVIQIMYQQ-INIZCTEOSA-N 429.822 4.283 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 779498285 OYYJKXXVWMVOBJ-LCYFTJDESA-N 443.547 4.068 10 20 IICD COc1cc(N(C)Cc2cc(Br)c3c(c2)OCCCO3)cc(OC)c1OC 780775779 YJJZDQWTYXJXTG-UHFFFAOYSA-N 438.318 4.273 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(COc4ccccc4)cc3)c2)CC1 781271515 ZBWRFSXAESUBEF-UHFFFAOYSA-N 429.520 4.186 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1 781343039 AADIPJHFFYEMDD-AWEZNQCLSA-N 436.346 4.399 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccnc3-c3ccc(Cl)s3)ccc21 782516485 KMCWJOXOFXGYPR-UHFFFAOYSA-N 440.956 4.101 10 20 IICD CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 782901817 CFOWXJSLWWLXAT-GOSISDBHSA-N 432.515 4.183 10 20 IICD CO[C@H]1CCOc2c(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cccc21 790960768 UTIKVUMZRQGFBB-QFIPXVFZSA-N 438.524 4.162 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1cccc(C)c1C 791249339 FCXPCHYUTSKSSO-UHFFFAOYSA-N 426.557 4.461 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1Br 792205932 BRHGOANUHHNQSC-UHFFFAOYSA-N 438.753 4.156 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN(c3nccs3)CC2)cc1)C1CCCCC1 798394312 HAXHIKKQIJRNNN-UHFFFAOYSA-N 427.618 4.380 10 20 IICD CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807673666 XLDWWHDNRKLYDT-INIZCTEOSA-N 446.389 4.130 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(C)n(-c4ccc(F)cc4F)n3)CC2)cc1 808894987 UCORJWALOJQSJY-UHFFFAOYSA-N 441.482 4.212 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 809144232 HSOHNZSIGKZTTQ-DEDYPNTBSA-N 429.563 4.260 10 20 IICD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811703774 FAGOPZVPEFKSCC-UHFFFAOYSA-N 443.949 4.187 10 20 IICD CSc1ccccc1C(=O)NC[C@@H]1CSCCN1C(=O)c1ccccc1SC 815916561 CKKJMUKYJQRPRR-OAHLLOKOSA-N 432.636 4.118 10 20 IICD O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc3ccccc3c2O)CC1 816498884 SSYAHNOBHNRYMI-UHFFFAOYSA-N 425.326 4.266 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 915290273 AZGNKARNYXAYMS-UHFFFAOYSA-N 425.875 4.181 10 20 IICD CC(C)[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCO2 915930912 BPAXLKKGANRZSI-HSZRJFAPSA-N 441.597 4.208 10 20 IICD CC(C)OC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 916220098 UYNKNPWCUOXENJ-JOCHJYFZSA-N 441.597 4.122 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(OC(C)C)c(OC)c3)CC2)cc1 918005929 AOPZQOVIVLJEPS-IBGZPJMESA-N 441.572 4.474 10 20 IICD O=C(Nc1ccccc1Oc1ccccc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294879 LSMPQEUUAKZYIJ-OAQYLSRUSA-N 446.503 4.331 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCOC3=O)cc2)c1C 919142370 BCJKNXRKIJIFBA-UHFFFAOYSA-N 432.476 4.399 10 20 IICD Cc1nc(-c2cccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)oc1C 919910457 CVGMUKJCPYNURU-UHFFFAOYSA-N 434.540 4.489 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 1254438512 KCQPJDSTFFOHJV-JOCHJYFZSA-N 437.971 4.244 10 20 IICD O=C(Nc1c(Cl)ccc2nonc12)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 1323483525 PKHQJXDLRNBCCI-GOSISDBHSA-N 434.839 4.071 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3F)C2=O)cc1 1324321814 CNBFAEVNYIRGMF-HPUUJOOBSA-N 435.473 4.311 10 20 IICD CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CCCC1 1823706061 HBMLSHMGIXAFFX-LBPRGKRZSA-N 449.960 4.014 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(F)c2)C3)cc1 1845399009 DEJDNQOWFZJPBC-UHFFFAOYSA-N 431.511 4.364 10 20 IICD Cc1cc(C(=O)NCCCOC[C@@H]2CCCO2)c(C)n1-c1cccc(Br)c1 110884585 IFWSJVYYMVANJH-IBGZPJMESA-N 435.362 4.172 10 20 IICD CN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 303010297 WUKMGHNHINMBFZ-UHFFFAOYSA-N 434.521 4.043 10 20 IICD COC(=O)c1ccc2c(O)nc(CN(Cc3ccco3)c3ccc(OC)c(F)c3)nc2c1 303780181 GPVMQYVTXSMEIH-UHFFFAOYSA-N 437.427 4.070 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)C1 557215835 KKBVGTYZUWTANG-DCFHFQCYSA-N 449.570 4.441 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OCC(F)(F)F)nc1 726564202 BMDLROTUSDVXBP-UHFFFAOYSA-N 445.388 4.023 10 20 IICD S=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)Nc1ccc2c(c1)OCCCO2 727280413 GWMKOEJSRIPVJA-UHFFFAOYSA-N 438.597 4.189 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 731858687 MEKIPRKUZOBECS-QGZVFWFLSA-N 440.521 4.429 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cn3)SC2=S)cc1F 733812768 GACOWUXVDLREHC-NSIKDUERSA-N 425.304 4.398 10 20 IICD COc1ccc(O)c(CNC(=O)c2csc(-c3cc(Br)cs3)n2)c1 734015252 CTAXWAGSQUTZCZ-UHFFFAOYSA-N 425.329 4.278 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccnc(Oc2ccccc2)c1 735884527 OMWVZWXLPJDMGN-UHFFFAOYSA-N 432.524 4.404 10 20 IICD Cc1cnn(-c2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2F)c1 737010298 UJHFJPIKBRBQKW-UHFFFAOYSA-N 425.533 4.195 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC 740603936 CDCGAPATCHUADN-UHFFFAOYSA-N 438.914 4.060 10 20 IICD Cc1cc(C(=O)NCCCOCC2CCOCC2)c(C)n1-c1ccccc1Br 740841865 ZRDTYMNQUYDRDT-UHFFFAOYSA-N 449.389 4.420 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2nc(N3CCOCC3)sc2c1 743080129 BKLDROGBUUTLEL-UHFFFAOYSA-N 438.553 4.039 10 20 IICD C[C@@H]1CCCN(CCCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 743550257 YMHKQAMPEZDYKD-RTBURBONSA-N 438.563 4.068 10 20 IICD COc1cccc(CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1O 745504178 PNANMXFHANQBOC-HXUWFJFHSA-N 434.471 4.130 10 20 IICD COc1cccc(CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CC(C)C)c1 746053884 OQWGJOUNTBXKGE-UHFFFAOYSA-N 440.584 4.094 10 20 IICD CC(C)N(CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C 746421320 ORSJMHDINUTQCU-SFHVURJKSA-N 426.552 4.065 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc3ncccc3c2)nc1-c1ccccc1 747857435 NBUBZOCKENWWPJ-UHFFFAOYSA-N 439.518 4.336 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C(C)C 753815213 KKKDNPSYECBTGA-GOSISDBHSA-N 431.964 4.403 10 20 IICD O=C(NCCCSc1nccs1)NCc1cccc(NC(=O)c2ccccc2)c1 759552032 WMURSLNACYGXKH-UHFFFAOYSA-N 426.567 4.377 10 20 IICD Cc1cc(C(=O)CN2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 759874347 IPSRUMDTQUGBNT-INCQDFKNSA-N 442.503 4.018 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cncc(-c4ccc(N(C)C)cc4)c3)CC2)cc1 760191946 IAKLXEJVPILEIR-UHFFFAOYSA-N 430.552 4.176 10 20 IICD O=C(Cc1cc(-c2ccccc2)on1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761983035 QDPMNLOPFQPDQM-LJQANCHMSA-N 425.916 4.024 10 20 IICD C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)OC(C)(C)C 762783818 IAEARTDYHDDJGK-PBBNAPBQSA-N 441.596 4.003 10 20 IICD CC[C@H](C)n1ncc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C1CC1 762978977 AVUCBZFFGLQHBS-KRWDZBQOSA-N 425.577 4.262 10 20 IICD Cc1cc(N2CCSCC2)ccc1NC(=O)NCc1cccc(Br)c1O 765275408 GQZCQEZOWRCJMR-UHFFFAOYSA-N 436.375 4.338 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)n1-c1cccc(C(C)C)c1 765344788 AWAZUEKSPVVTTO-RXFWQSSRSA-N 436.644 4.316 10 20 IICD O=C(N[C@H]1CCCc2sccc21)c1cc(NS(=O)(=O)c2cccs2)ccc1O 768603031 NCXSKVPQTRQEPQ-HNNXBMFYSA-N 434.564 4.123 10 20 IICD COc1cc(Br)cc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1O 769527383 FZIFUOXTMQRDDP-HNNXBMFYSA-N 445.151 4.091 10 20 IICD CCCOc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769647776 SKHHPFTYHREJKC-UHFFFAOYSA-N 432.523 4.296 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@]2(C1)OCc1ccccc12 771330440 IDHCTCWSOYRMIP-UUOWRZLLSA-N 443.494 4.098 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773625150 PTOZFLWZAVAXNO-MGPUTAFESA-N 432.362 4.359 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3nc4ccc(Cl)cc4n3C)cc2F)CC1 774411822 RRANKYAKQQIRLW-INIZCTEOSA-N 429.971 4.359 10 20 IICD Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 778078763 NKTRJRPMFHUANU-UHFFFAOYSA-N 439.518 4.239 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1O 779026406 BINKNCVALGJIKF-APWZRJJASA-N 431.374 4.347 10 20 IICD CC(C)(C)OC(=O)NC1CCC(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 779062597 YBRTWXAOWDZQBO-SOAGJPPSSA-N 438.012 4.436 10 20 IICD COC(=O)c1cnc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)cn1 779738460 VFAHGZYBGBHDBS-UHFFFAOYSA-N 447.520 4.355 10 20 IICD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 780589368 JAWXDUFAYHTJRX-XMMPIXPASA-N 444.531 4.154 10 20 IICD COc1cc(Br)ccc1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 782752934 CGNBYXZKSBZCGT-LJQANCHMSA-N 448.357 4.304 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)c1 784024880 XNMPUSXJIDMEDF-UHFFFAOYSA-N 434.540 4.433 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ncnc4sc5c(c34)CC[C@@H](C)C5)cc2)CC1 786073313 MLFDEUJHXCNIEF-MRXNPFEDSA-N 435.597 4.097 10 20 IICD COc1ccccc1-c1csc(C2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)n1 790488708 VTVCJPIJPTYPCZ-NRFANRHFSA-N 438.549 4.330 10 20 IICD COC(=O)c1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)c(Br)c1 790586982 MJVJQZSBTMJMTM-LCYFTJDESA-N 446.413 4.190 10 20 IICD Cc1cc(C(=O)NCc2noc(C(F)(F)F)n2)c(C)n1-c1cccc(Br)c1 791285837 XLXYWDOLMCBYHF-UHFFFAOYSA-N 443.223 4.188 10 20 IICD Fc1ccc(/C=C/CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F 796275511 LZXKZHPHVPIANR-HNQUOIGGSA-N 439.485 4.024 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccnc(-n4cccn4)c3)cc2Cl)C1 799863020 MIVZFIXLNWYBSS-KRWDZBQOSA-N 438.963 4.156 10 20 IICD COc1ccc2c(c1)OCCN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 802625969 VKFHCILALIPIPY-UHFFFAOYSA-N 430.464 4.470 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(F)c(N2CCCNC2=O)c1 806806520 CKKZNCIDPFVTJP-UHFFFAOYSA-N 427.263 4.080 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1)c1ccc(N(C)C)cc1 807675771 AJOXNKXIYNDDCW-INIZCTEOSA-N 429.511 4.179 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2c(OC)ccc(F)c2[nH]1 807931264 PKRKCWJHRJCREE-UHFFFAOYSA-N 441.503 4.318 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 813456783 KHSZBKJCLNHBSC-UHFFFAOYSA-N 438.311 4.040 10 20 IICD CCOc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1Br 814269669 AHNRAIOVAAJCJY-UXBLZVDNSA-N 437.178 4.441 10 20 IICD C[C@@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)N(C)Cc1ccc(N2CCOCC2)cc1 857758400 GHMKCTWUDHQIOQ-RTWAWAEBSA-N 431.580 4.374 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(Cl)cc2cccnc12 916677396 NDERAQCQAASVPG-UHFFFAOYSA-N 428.895 4.310 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)C(F)F)cc3)cc2F)C[C@@H](C)O1 917087020 SYCCFJNGPLHYIR-OKILXGFUSA-N 428.476 4.048 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCCC[C@H]1c1ccncc1 918221006 PZLHDWVSWAEMNX-QFIPXVFZSA-N 426.536 4.009 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCN2CCc3ccccc3C2)cc1 919657407 ZAYJILQBCYJMEY-UHFFFAOYSA-N 432.568 4.116 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OCc2cccs2)c1 919968748 JFCKRGPGSFEMHT-UHFFFAOYSA-N 436.577 4.466 10 20 IICD C[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(N2CCOCC2)cc1 920886946 RQOCHUIDPALFTQ-AWEZNQCLSA-N 433.430 4.394 10 20 IICD Cc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 921129840 WQTSYRJHHFFEDB-INIZCTEOSA-N 437.323 4.154 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)cc1 1319373410 RWGOJKXHCKRZJZ-UHFFFAOYSA-N 430.504 4.049 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(C)c3NC(=O)c3ccncc3)CC2)cc1 1319733499 OPJJPPWBUSDKLI-UHFFFAOYSA-N 444.535 4.003 10 20 IICD Cc1c(I)cccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 1319966577 COBBDGYERWHLHJ-UHFFFAOYSA-N 433.293 4.298 10 20 IICD C/C=C/C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1812543197 ZZJITUVYXNJURO-OAECKPJCSA-N 442.563 4.385 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2cccc(Cl)c2)on1 302945732 MLSYGBRTLFZMHN-UHFFFAOYSA-N 425.916 4.134 10 20 IICD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 725827722 IKWBYYQAFOBRPA-UHFFFAOYSA-N 445.972 4.366 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3OC[C@H]3CCCCO3)CC2)cc1 726696946 GGKSHUXEOUJPSB-JOCHJYFZSA-N 439.556 4.434 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1c1ncnc2sccc12 728514184 UBYRMGIZSBBEBS-NRFANRHFSA-N 435.597 4.309 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)ccc21 728522736 NQTLEIZAMJXDDD-FQEVSTJZSA-N 443.588 4.376 10 20 IICD C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(N2CCOCC2)cc1 730487233 VXSBCQVQCZILMV-AWEZNQCLSA-N 446.429 4.083 10 20 IICD O=C(CCc1nc2cc(Cl)ccc2s1)NCc1ccc(N2CCC(CO)CC2)cc1 730589773 DQAOAFLZXNEWAM-UHFFFAOYSA-N 444.000 4.407 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 732474385 CQKBEOBETNZQKM-BEFAXECRSA-N 435.565 4.235 10 20 IICD COc1ccc(O)c(CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 734068607 DLUWEFNFZXBBJD-UHFFFAOYSA-N 438.355 4.171 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 734074207 KZBABUFPPOYNRR-UHFFFAOYSA-N 447.516 4.241 10 20 IICD COc1ccc(O)c(CNC(=O)c2csc(-c3ccc(Br)s3)n2)c1 738540881 NIKOKYOJMNCVML-UHFFFAOYSA-N 425.329 4.278 10 20 IICD Fc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1Cl 742685723 RIDIDXSVZQHIMM-UHFFFAOYSA-N 429.902 4.025 10 20 IICD CCN(C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1)CC(F)(F)F 747935398 QVRXXSDKQFRQGK-GOSISDBHSA-N 437.506 4.449 10 20 IICD COc1cc(Br)ccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 748635824 ZVYUQQKSKBYHLJ-UHFFFAOYSA-N 444.373 4.242 10 20 IICD O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 751291650 NQHZLXQZQVYEBB-HXUWFJFHSA-N 433.508 4.458 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2cc(Cl)cc(Cl)c2C1 752361264 CRPKRSYTHGNPOC-UHFFFAOYSA-N 438.330 4.237 10 20 IICD COc1ccc(O)c([C@@H](C)NC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 754140873 PYYIYJFNSPCSSA-JPYJTQIMSA-N 440.565 4.080 10 20 IICD COc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)ccc1OCC(=O)N(C)C 756474628 CNLQRBZDCAWEFG-GFCCVEGCSA-N 427.328 4.025 10 20 IICD C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)cc(Cl)c1O 757640131 ROKWBCNDLMAYJF-SUMWQHHRSA-N 439.781 4.226 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 758415094 FAZAQKRNFIXWGY-ONDHQXCVSA-N 441.530 4.235 10 20 IICD C[C@@H](NC(=O)CCc1cc(Br)ccc1F)c1ccc(N2CCOCC2)cc1 758725676 VFAQRKSQWCJJSN-OAHLLOKOSA-N 435.337 4.235 10 20 IICD Cc1ccc(-c2nc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cs2)n1C 758967718 CTPISYNSPJQUMH-UHFFFAOYSA-N 446.523 4.457 10 20 IICD COc1ccc(N2CCC(NC(=O)c3c(C)nc(C(C)(C)C)nc3SC)CC2)cc1 760494603 NAIOQLRGLIZIIQ-UHFFFAOYSA-N 428.602 4.212 10 20 IICD C[C@H]1C[C@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CN1Cc1ccccc1 762232268 YGTLVPMKRPWMLW-HKUYNNGSSA-N 441.959 4.111 10 20 IICD O=C(NCc1ccc(CN2CCCCC2)cc1)NCc1cccc(Br)c1O 765452447 FCFAAUCOTYNRAH-UHFFFAOYSA-N 432.362 4.140 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 765469270 ROPDVXVODSUITI-UHFFFAOYSA-N 447.564 4.310 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(c1ccccc1)c1ccccc1 765980377 ZINRYZQLBKHIRI-NRFANRHFSA-N 434.605 4.232 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c(F)cccc1Br 768913411 ZLJPICRUCFKBJF-AWEZNQCLSA-N 441.728 4.342 10 20 IICD O=C(c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1)N1CCc2ccccc21 775192481 LPLJXIKVKZCMHZ-UHFFFAOYSA-N 431.511 4.477 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 775482020 HDTQMRNZAJDOLZ-MRXNPFEDSA-N 429.542 4.423 10 20 IICD CC(C)(O)CN(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 776050752 WFSMCXZVOABZJC-IBGZPJMESA-N 447.526 4.240 10 20 IICD O=C(COc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 776280706 LWUPIBUPLUGAND-UHFFFAOYSA-N 446.828 4.030 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(N)cc1 783484539 FELKZSQRXPEHPL-QGZVFWFLSA-N 442.519 4.350 10 20 IICD C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)cc1 784499483 PDXBTQBMFALKSG-CQSZACIVSA-N 432.436 4.091 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 786307923 FOHDRSQDQPHLHQ-ZDUSSCGKSA-N 432.904 4.049 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 788500631 DQJDGKNFPFFZIF-FIXSFTCYSA-N 438.568 4.081 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 789369710 ISQZAMGBDFOMJH-UHFFFAOYSA-N 428.602 4.319 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(Br)ccc1F 792226627 UGISCCNEKVUIEL-UHFFFAOYSA-N 432.087 4.114 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 793574009 GYEICLNTKSLQQE-DLBZAZTESA-N 437.005 4.382 10 20 IICD Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)C2 799995664 SCNACEYSSBNZKT-DNVCBOLYSA-N 427.980 4.031 10 20 IICD Cc1cc(C(=O)CN2CCC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1 800460939 XRAJROUZZKDUSW-JOCHJYFZSA-N 430.614 4.299 10 20 IICD C[C@@H](Oc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F 806856835 NHPCWEDOWGVRNF-OAHLLOKOSA-N 449.473 4.212 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1c(C)cc(OC)c(C)c1C 807023015 YALWGKLKWAYEHO-UHFFFAOYSA-N 449.345 4.076 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 807180775 MGPUUNQEGCSIJG-NOZRDPDXSA-N 433.596 4.163 10 20 IICD CCOC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCC1 818270189 DTJYFUGEKCKCLY-DTQAZKPQSA-N 438.640 4.195 10 20 IICD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(N=Nc2ccccc2)cc1 849208504 VWQSCPZYULSUEY-QGZVFWFLSA-N 446.463 4.225 10 20 IICD Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c2cccnc12 881467824 FJPLCLNHCGWRHV-UHFFFAOYSA-N 437.411 4.479 10 20 IICD Cc1sc(NS(=O)(=O)c2ncn(C)c2Cl)nc1-c1ccc(Br)cc1 914576984 RDAXALKCUJAFFA-UHFFFAOYSA-N 447.767 4.069 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 914728219 JDFVMDKOYXXXRA-UHFFFAOYSA-N 431.462 4.405 10 20 IICD COc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCCC4)cc3)cs2)cc1OC 915083755 LJYRQVPIQWHIAG-UHFFFAOYSA-N 437.565 4.286 10 20 IICD CCC[C@H](C)N(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 915184040 MBZAETJPNJJBQZ-GQVHDAKQSA-N 441.416 4.297 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Cl 915220304 TYHDWTSZYCIFAL-UHFFFAOYSA-N 440.930 4.290 10 20 IICD Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc12 916590044 BDQLYULUICZFGM-UHFFFAOYSA-N 442.880 4.500 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)n1-c1cccc(C(C)C)c1 916827644 OBDKRDDUKGZTGZ-UHFFFAOYSA-N 432.568 4.379 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ccc(Br)cc2)c1 917115391 JLFOUAWLBMEJAI-UHFFFAOYSA-N 425.330 4.165 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCCOCCc3ccccc3)cc2F)C[C@@H](C)O1 917707813 BMTBGHTUFJIQJZ-WOJBJXKFSA-N 428.548 4.095 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 917864416 PERIQVHBABDXMK-UHFFFAOYSA-N 449.787 4.304 10 20 IICD O=C(NCCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918150896 UUMBGXZJNMIOHL-UHFFFAOYSA-N 441.881 4.237 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 918311831 VSZKCAXQMBPHTF-UHFFFAOYSA-N 437.462 4.071 10 20 IICD CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc12 920866040 URQAFKDOHZWNPT-GOSISDBHSA-N 440.565 4.115 10 20 IICD Cc1nn(-c2ccccc2)cc1CCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920866806 LEEBOOWTZCEVPG-FQEVSTJZSA-N 447.583 4.010 10 20 IICD C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(N2CCOCC2)cc1 920881619 IRIGUAQXVZNKCT-GOSISDBHSA-N 449.576 4.006 10 20 IICD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 921234263 PEGFQLSNOHTPPS-UHFFFAOYSA-N 443.550 4.488 10 20 IICD CN1CCN(c2ccc(CNCc3ccc(Br)cc3Cl)cc2F)CC1 1318371574 IYJFWMGILIUBAK-UHFFFAOYSA-N 426.761 4.283 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)c4cccs4)cc3)CC2)cc1 1319381242 PBSBPPYRGPONST-UHFFFAOYSA-N 449.576 4.039 10 20 IICD Cc1onc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 1800512886 HRICUPOXKDOWAA-UADZTWIMSA-N 446.551 4.265 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1)c1cc(O)c(O)c(Cl)c1 1800991211 LHUCKEMMXUTENV-BJWYYQGGSA-N 440.883 4.063 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)C(F)F)C3)CC2)cc1 1809145712 JGHJOUFFSUVQNM-UHFFFAOYSA-N 429.511 4.204 10 20 IICD COc1ccc(N2CCN([C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1 39561476 NUEQDIYGIBMTPL-JKSUJKDBSA-N 438.597 4.001 10 20 IICD CCc1nn(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)c(=O)c(C#N)c1CC 303415499 BBVIZZIIIJCNAT-UHFFFAOYSA-N 428.536 4.019 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 472789846 MWRILBBNSRTIRL-UHFFFAOYSA-N 440.931 4.134 10 20 IICD COC(=O)c1ccc2c(O)nc(/C=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c1 726427374 KTQNZBRVKIMBIO-UXBLZVDNSA-N 434.452 4.191 10 20 IICD CCOc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726718045 JMNHBPFYIXWBIO-UHFFFAOYSA-N 433.499 4.497 10 20 IICD CCOc1ccc(OCC)c(NC(=S)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 726903062 MXKPHHDCMLEAIU-UHFFFAOYSA-N 447.576 4.071 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](OC1CCCC1)c1ccccc1 726982182 NPKPLPUDVBMEQW-DEOSSOPVSA-N 426.532 4.104 10 20 IICD C[C@H]1CN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCCO4)cc2F)C[C@@H](C)O1 727276821 NIVMJIOGEZWVQR-IYBDPMFKSA-N 445.560 4.087 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NCc3csc4ccccc34)cc2F)CC1 730114622 BVMRLLOQCCLORN-UHFFFAOYSA-N 426.561 4.182 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC 730588831 IDYLRFURGBOEDS-QGZVFWFLSA-N 435.611 4.495 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2Oc2ccccc2)cc1F 731408059 CZTVBNHJUIQZKA-UHFFFAOYSA-N 436.487 4.114 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2SC(F)F)cc1F 731408716 UVZRBAHIJOOAKA-UHFFFAOYSA-N 425.476 4.242 10 20 IICD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2cc(Br)cs2)cs1 733732303 ZXWLAELTYZUIET-UHFFFAOYSA-N 446.329 4.343 10 20 IICD O=C(NCCCSc1nccs1)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 733973040 QQGNXGDPOYXZTO-UHFFFAOYSA-N 437.550 4.184 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 734424365 CCZDBRMMPDWOTP-IRLDBZIGSA-N 447.501 4.340 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 735093773 MLXIRENRVWDDHX-GOSISDBHSA-N 432.515 4.212 10 20 IICD CCCC[C@H](CC)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 735250503 JFQCVDFNJMQPST-IBGZPJMESA-N 427.568 4.165 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 737127272 PWFRDWIRKUOQLF-UHFFFAOYSA-N 427.854 4.460 10 20 IICD Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 738987929 ZZPXLLJTXOEYBK-IFMALSPDSA-N 438.572 4.117 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)c2C)cc1 740827747 CFDCOEVGACDYEP-KSFYIVLOSA-N 441.572 4.478 10 20 IICD Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 742799931 NVSCUZFOEOKCEU-SFHVURJKSA-N 440.494 4.489 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nccn2C(C)(C)C)cc1 749456504 IECVQALHISWRTG-HXUWFJFHSA-N 430.618 4.004 10 20 IICD COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1Cl 751135871 AKOKNDIPPCWJJA-AWEZNQCLSA-N 446.352 4.078 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(S(=O)(=O)C2CCCC2)cc1 751298697 DQLYXMJRKLLDOE-UHFFFAOYSA-N 446.532 4.365 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)cs2)cc1 751937590 RCXCYKQEVVCVJY-UHFFFAOYSA-N 426.885 4.377 10 20 IICD COc1cc([C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)ccc1OCCO 756458504 MXDNVYLRADXMPZ-VXGBXAGGSA-N 428.298 4.085 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc(OC)c1OC 759928137 NEIUWJYYDGBLPH-UHFFFAOYSA-N 440.327 4.373 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cnc1Cl 760217286 UUVBFCWUOIMEFO-YVLHZVERSA-N 432.954 4.259 10 20 IICD COCc1nc(S[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1 761876341 NGAHBHRXLZHLRD-CYBMUJFWSA-N 436.484 4.324 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 764356962 RXNKSJGGOIJKKC-UHFFFAOYSA-N 448.470 4.239 10 20 IICD Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCc2cccc(Br)c2O)cc1 764792565 WABICMUWXVHLHN-XLIONFOSSA-N 433.346 4.430 10 20 IICD C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCCC2)c(F)c1 764846549 GSLJDQLDPUMBQP-GOSISDBHSA-N 430.568 4.111 10 20 IICD CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1O)O[C@@H](C)C2 765750743 KXHZKWNWADTRKZ-NUTKFTJISA-N 446.341 4.297 10 20 IICD Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC[C@H]2CCCO2)c1 766574595 HLTCKABPCFYYEA-SIKLNZKXSA-N 428.548 4.379 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1 772450682 RSOHLAFEKHEAGS-IAGOWNOFSA-N 437.519 4.255 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1 776059839 UHQZBDXWYKEAMF-UHFFFAOYSA-N 449.530 4.122 10 20 IICD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 779513070 RSZOKZYVPMYRNS-HFTQHKIXSA-N 435.307 4.438 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1Cc1ccccc1)c1ccc(N)cc1 783487678 YIMJGVIMNCQUIU-LJQANCHMSA-N 439.519 4.247 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 785542563 FIBBSEAHHZQQRI-UHFFFAOYSA-N 438.914 4.060 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1C(=O)N(C)C(C)C 786062746 CEBOOPYYIUXWTF-UHFFFAOYSA-N 440.613 4.350 10 20 IICD O=C(c1cc2sc(N3CCCC3)nc2s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 793733027 WDNDKPPCEVZRJX-INIZCTEOSA-N 443.594 4.485 10 20 IICD COc1cc(OC)cc(C2(F)CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1 801745561 NBMSAZYKRQHHMX-UHFFFAOYSA-N 441.547 4.474 10 20 IICD O=C(Nc1ccc(OC(F)F)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 801960551 ZLEQUPWDALXLSI-UHFFFAOYSA-N 428.386 4.075 10 20 IICD CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)C1 802676243 JPHVUACPXMNZRJ-JOCHJYFZSA-N 448.615 4.313 10 20 IICD COc1ccc(O)c([C@@H](C)Nc2ncnc(CC(C)C)c2I)c1 804431387 PSNUWGOUZOADQX-LLVKDONJSA-N 427.286 4.167 10 20 IICD COc1ccc(C2(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)CCOCC2)cc1 804985767 FVZBRSPVXGPDAM-UHFFFAOYSA-N 439.339 4.255 10 20 IICD CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cc(Cl)cc(Cl)c1O 806135765 WKPZGPPBPMTUSK-QGZVFWFLSA-N 441.355 4.416 10 20 IICD C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCCCSc1nccs1 806275890 YRVHLAOHDDNYEB-ZIAGYGMSSA-N 426.007 4.046 10 20 IICD C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O 806660942 SEFFEPNJMHXUAO-OLZOCXBDSA-N 441.753 4.469 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)cc1 815567625 FUXXFRHUJWYWGJ-CQSZACIVSA-N 430.492 4.292 10 20 IICD O=c1c(Cl)c(N2CCN(Cc3ccc4ccccc4c3O)CC2)cnn1-c1ccccc1 816481552 AHXRLVKLCHETGZ-UHFFFAOYSA-N 446.938 4.067 10 20 IICD COc1ccccc1C[C@@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473054 SIQJUEPZSCTVRC-DYESRHJHSA-N 430.976 4.404 10 20 IICD COC(=O)c1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914293373 DUXAYTAKLYXVIW-VBKFSLOCSA-N 446.575 4.155 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(Cc3cccc(F)c3)CC2)c1 917471547 GSODOWPYRJSMIR-UHFFFAOYSA-N 440.559 4.021 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2F)C[C@@H](C)O1 917714279 TVILMMLIPBCYDC-HUUCEWRRSA-N 448.922 4.184 10 20 IICD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918232878 VIEDIFXLOIMBHT-LJQANCHMSA-N 443.563 4.270 10 20 IICD COc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920941186 QDUIZPYNMZUHLC-HNNXBMFYSA-N 448.361 4.485 10 20 IICD C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)c1c(Cl)cccc1Cl 1254184410 NIQZIYNMRQYKHA-LHSJRXKWSA-N 426.363 4.096 10 20 IICD CCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1337981998 GTHNGIIFPRCOIH-UHFFFAOYSA-N 439.453 4.413 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303795903 VUYMOJCDTVFWGA-KRWDZBQOSA-N 434.502 4.409 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)ccc21 484982341 BRGZCZKQJDXJLC-UHFFFAOYSA-N 448.567 4.331 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Cl)c2c(c1)OCCO2 726566491 PWRKIKIHCJABOK-UHFFFAOYSA-N 438.858 4.111 10 20 IICD Cn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C2CCCCC2)n1 726779370 KRUGACIKKRAHRC-UHFFFAOYSA-N 432.515 4.468 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)Cc3nc(O)c4c(F)cccc4n3)c2C)cc1 729688008 OTCVYIRKFRVTNM-UHFFFAOYSA-N 433.439 4.094 10 20 IICD C[C@H](NC(=O)N1CCc2ccc(Br)cc21)c1ccc(N2CCOCC2)cc1 732883921 CINFZOQJSPTJBO-HNNXBMFYSA-N 430.346 4.119 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 737517741 QRILLZALCMOFSC-QFBILLFUSA-N 447.501 4.217 10 20 IICD C[C@H](CCc1cccn1C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 741992966 JDYXEGWBTZHEPB-LWFDYCOSSA-N 447.651 4.206 10 20 IICD O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1c1ccc(Cl)nc1 743282659 PPKDFMGYUPXUJB-YIXHJXPBSA-N 442.852 4.471 10 20 IICD O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1c(O)ccc2c1CCCC2 743718893 NHOOBOOAEFQEMS-UHFFFAOYSA-N 428.941 4.185 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1nn(-c2ccc(F)cc2)cc1Br 743719694 OTMXMHUBYBYVBV-UHFFFAOYSA-N 444.304 4.288 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1Cl 746232956 ZIFSTJYJQWADHE-ZBFHGGJFSA-N 449.382 4.256 10 20 IICD COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)c1 751317903 IOJMGOHHMODBET-OAHLLOKOSA-N 440.521 4.066 10 20 IICD Cc1cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c(C)n1-c1ccc(Cl)cc1 752331746 ABPZYTJVIUJDGV-KRWDZBQOSA-N 439.907 4.043 10 20 IICD C[C@@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(N2CCOCC2)cc1 755840785 TWFRROPBZKYSTJ-MRXNPFEDSA-N 433.512 4.333 10 20 IICD C[C@@H](Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F)c1cc([N+](=O)[O-])ccc1O 756858422 PHGHJZNIERSJMH-HUUCEWRRSA-N 430.480 4.426 10 20 IICD C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1O 756862251 CXFGSKQTYLNLDO-UGSOOPFHSA-N 437.418 4.161 10 20 IICD C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(OC(C)(C)C)CC1 759382517 AUHNIMPPYKXZTO-MRXNPFEDSA-N 434.536 4.069 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(CCC(=O)N2CCCC2)cc1 765257634 AYIBAALQAMFIMR-UHFFFAOYSA-N 446.345 4.031 10 20 IICD C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCOCC2)cc1Cl 765285754 GFQFFSHICUOBLY-IBGZPJMESA-N 444.019 4.236 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(N2CCOCC2)c1 765642256 AABANXRHUQPILB-GOSISDBHSA-N 431.527 4.444 10 20 IICD Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn(-c3ccccc3)nc1-c1cccnc1)CC2 774221921 ZMQZNORAXZMECU-UHFFFAOYSA-N 425.448 4.354 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 777990363 IWMABSBITXAIFH-UHFFFAOYSA-N 441.381 4.073 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)ccc21 778721640 ZSQGNCPYMQNVFK-XLIONFOSSA-N 443.588 4.280 10 20 IICD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1cc(Cl)cc(Cl)c1O 779599979 TUVZLPWUPRBOPU-UHFFFAOYSA-N 433.357 4.397 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)C2CCCCC2)cc1 784060224 AQZODVACUCHXDU-HSZRJFAPSA-N 437.540 4.131 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CSc2ccc(Br)cc21 787263524 OVGRRYXRULLWRL-GOSISDBHSA-N 430.371 4.472 10 20 IICD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc(Cl)cc(Cl)c3O)c2)C1=O 790612343 WYONOELCMCFZDB-NRFANRHFSA-N 434.323 4.214 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1nc(Br)ccc1Br 790787378 COXDGJGAEZJWEE-UHFFFAOYSA-N 440.135 4.121 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC[C@](C)(O)CC2)sc(C)c1-c1ccccc1 791630192 AEFABYXFOXOHDD-QHCPKHFHSA-N 430.570 4.076 10 20 IICD COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc1C 793237077 VGJWWOOEGCGXDR-SFHVURJKSA-N 444.557 4.474 10 20 IICD CC[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc(F)cc1O 796701937 JLBUUOYEULFLOP-QFIPXVFZSA-N 446.519 4.390 10 20 IICD Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800050155 OPXPZGAEIDILDE-OAHLLOKOSA-N 434.989 4.218 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3SCC(N)=O)cc2Cl)C1 800521253 QQZSRPNGESZLMG-HNNXBMFYSA-N 447.004 4.475 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3nc(O)c4sccc4n3)n2C)c(C)n1-c1ccccc1 800725177 VHFUJKIRPQFHKZ-UHFFFAOYSA-N 445.552 4.236 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 801174516 QAMCUNMSBPYYTG-IBGZPJMESA-N 442.922 4.073 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 809144137 FDUKJQUUGKIWMY-UDWIEESQSA-N 445.562 4.273 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3c(C)nn(C)c3C)c2C)c1 809203261 SNWWWGBXHWACNU-UHFFFAOYSA-N 425.554 4.135 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCO1 812435482 KWAZSIBVOLSTGX-HXUWFJFHSA-N 431.540 4.261 10 20 IICD C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 857758393 GHMKCTWUDHQIOQ-LEWJYISDSA-N 431.580 4.374 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)s3)cc2F)C[C@@H](C)O1 917715940 ZTSUOPFGDNNOQL-HZPDHXFCSA-N 425.529 4.493 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 918267562 SUKOVILIDHYRER-UHFFFAOYSA-N 425.838 4.214 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)n1C1CCCCC1 918674372 XLQOIBYICQZPOS-NRFANRHFSA-N 436.600 4.242 10 20 IICD CCNC(=O)COc1cccc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1252720505 QJBVUNROHHKBMX-UHFFFAOYSA-N 439.943 4.192 10 20 IICD O=C(Cc1coc(-c2ccccc2)n1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1317891259 SFYZBRJCXHBESC-UHFFFAOYSA-N 445.441 4.056 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3ccc(C(N)=O)cc3)cc2Cl)C1 1321384348 QXTNROQWUWPHNN-MRXNPFEDSA-N 428.964 4.017 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1326063069 WDJCONKOWGCGBZ-AVRDEDQJSA-N 440.540 4.118 10 20 IICD Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c(C)c1 1800719947 WEFQOVBPNPNLIL-BCDXTJNWSA-N 442.943 4.242 10 20 IICD C/C=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2 1825042893 OGZZGAOGIAOATE-SHCNBLLESA-N 434.565 4.353 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1N(C)C(=O)c1cccs1 28497157 GTHUGQHWCFMPDK-UHFFFAOYSA-N 449.576 4.134 10 20 IICD Cc1ccc(-n2nc(C)c(NC(=O)CN(Cc3ccccc3O)C[C@H]3CCCO3)c2C)cc1 96971114 IJMUMLOWXIFYPL-HSZRJFAPSA-N 448.567 4.123 10 20 IICD CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 386044609 YKBSPBQNIPWWJF-UHFFFAOYSA-N 425.131 4.282 10 20 IICD COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 437017960 LCKHDZXQSDDKJD-QGZVFWFLSA-N 447.373 4.136 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1Br 726196959 HZEJCLUUTONHRV-LFIBNONCSA-N 435.368 4.297 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Br)c1 726566685 ZNMFAENUOFLGDH-UHFFFAOYSA-N 425.273 4.449 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3csc(Br)c3)SC2=S)cc1 726627058 JOZSJPGBZCYHAJ-WZUFQYTHSA-N 425.354 4.015 10 20 IICD Cc1cccc2c1CC[C@H]2NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 729660047 DNHAPWVROQTPIZ-HXUWFJFHSA-N 426.428 4.096 10 20 IICD Cc1nnc(SCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1Cc1ccccc1 731015402 RBEAORPETZTOJR-UHFFFAOYSA-N 449.624 4.280 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H](c3ccccc3)C(C)C)CC2)cc1 733038951 RVZDUZRVPLKRGD-RUZDIDTESA-N 438.616 4.246 10 20 IICD Cc1nn(C)c2nc(Cl)c(CN[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12 733334791 RHJSQHVNBVKOBY-KRWDZBQOSA-N 434.371 4.043 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)c1 734063684 ZTSSHVDSVSJULN-UHFFFAOYSA-N 426.444 4.449 10 20 IICD COc1cc(Br)cc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)c1O 734844879 BQUCVUSIUGVJRP-QGZVFWFLSA-N 434.252 4.179 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C1CC1 737011356 UDXFCAWAXCWZRL-QHCPKHFHSA-N 437.540 4.116 10 20 IICD CCOc1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c(O)c1 742385293 VTLOGIBLVRLCCF-QHCPKHFHSA-N 447.503 4.352 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 742618456 ISMXRVNDCJQTBL-HNNXBMFYSA-N 434.458 4.421 10 20 IICD CCOCCCN1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@@H](C)C1 745826761 DDDCPYKOFDZODA-NZQKXSOJSA-N 431.621 4.374 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1 752834555 IVBZAESXEPXCLZ-KNQAVFIVSA-N 435.572 4.147 10 20 IICD C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 753294590 IFDCYULGGZKZDL-GOSISDBHSA-N 428.598 4.279 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 753332619 QTCACWWUDKEFQY-UHFFFAOYSA-N 430.593 4.266 10 20 IICD C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1ccc(OCC(=O)NC2CC2)cc1 756427624 BJNFHPBWMWXYQU-UONOGXRCSA-N 433.346 4.224 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc(OC)c1OC 759873656 YHSLIODHHAGLHC-UHFFFAOYSA-N 431.583 4.220 10 20 IICD Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 760809787 PEKNVYYLFDGKQD-NRFANRHFSA-N 443.551 4.080 10 20 IICD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 763399530 XKRWCQOXVPFUCH-UHFFFAOYSA-N 427.346 4.281 10 20 IICD C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(N2CCOCC2)c1 766237072 HMSVODXGIHGMHJ-QUCCMNQESA-N 431.527 4.444 10 20 IICD Cc1cc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c(C)n1-c1ccccn1 768351687 RJHMTFAPSVJHBP-UHFFFAOYSA-N 426.402 4.341 10 20 IICD CCOC(=O)CC1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775650125 QSPIAMFABPVSPK-UHFFFAOYSA-N 435.156 4.082 10 20 IICD C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2N1C(=O)/C=C/c1cncc(F)c1 776978631 VPHXTCYXRZTALC-BQEBJVHGSA-N 446.457 4.250 10 20 IICD C[C@@H](C1CC1)n1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 777633264 OPZBVNFRQCDIPX-CABCVRRESA-N 428.492 4.069 10 20 IICD O=C(Nc1csc2ccccc12)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 779159745 ATGAKJBUISASGR-CQSZACIVSA-N 445.491 4.226 10 20 IICD COc1cccc(CNC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1O 780935936 PCPOSIWBBWWNGK-UHFFFAOYSA-N 440.540 4.284 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 781403666 ZWJCZSLCUHZBEU-HZPDHXFCSA-N 438.410 4.339 10 20 IICD Cc1ccc(Cn2nccc2NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)o1 783484588 FKYHVAPGOHJNBF-SFHVURJKSA-N 443.507 4.148 10 20 IICD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784060370 XVHRINIIBPUXMJ-UHFFFAOYSA-N 445.466 4.028 10 20 IICD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2O1 785980832 PJFGVVWQVABZAF-RUZDIDTESA-N 437.540 4.171 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4COC)ccc21 787941448 ICTYYFARHSNEKP-UHFFFAOYSA-N 435.524 4.040 10 20 IICD Cc1ccccc1[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C 789843666 BJZWAEFQISYNCI-QFIPXVFZSA-N 439.625 4.068 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3ccc(N(C)C(C)C)nc3)SC2=S)cc1 790106369 FGISOQWMEBCZBV-UYRXBGFRSA-N 427.595 4.379 10 20 IICD O=[N+]([O-])c1cc(CNc2ccc(Cc3nnc4n3CCC4)cc2)ccc1N1CCCCC1 790994747 CYAXDAIFAJBSSE-UHFFFAOYSA-N 432.528 4.326 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1 792184291 UXVFWFDSTFBWMN-UHFFFAOYSA-N 429.605 4.136 10 20 IICD CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cc(Br)cc(C)c2O)cn1 792191139 WWCGQMMJZDVILK-NRFANRHFSA-N 444.373 4.415 10 20 IICD O=C(CSCc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 794440277 CLAIZABPDDRRMA-UHFFFAOYSA-N 442.478 4.231 10 20 IICD CN(Cc1ccccc1)C1CCC(NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 796701895 IQOMQTHYTSOASJ-UHFFFAOYSA-N 425.592 4.320 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 799239684 GARGTAKTZSXYCG-QHCPKHFHSA-N 438.572 4.113 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)o3)n2)cc1[N+](=O)[O-] 799636682 VLBKHWOXWRUSCI-UHFFFAOYSA-N 444.288 4.183 10 20 IICD COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636166 HBMWTOFRCWDBFZ-MRXNPFEDSA-N 429.948 4.148 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 801545872 FKVBHAMFBHLUKG-UHFFFAOYSA-N 440.569 4.211 10 20 IICD Cc1cc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CC(C)C)c(C)n1-c1ccccc1 802671999 YXPJMUWWSPXWJQ-QFIPXVFZSA-N 446.599 4.210 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1cc(Br)cnc1Br 804333464 JHRBEUGXRQKQQI-UHFFFAOYSA-N 441.167 4.080 10 20 IICD COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 807673809 ZMNGQNLBJQTZLB-HXUWFJFHSA-N 445.563 4.167 10 20 IICD CC[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1O 810210033 MCXNECQIEDBODT-MRXNPFEDSA-N 427.467 4.097 10 20 IICD Cc1cc(-c2nnc(N(C)CCCCCO)n2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 812254079 BNUZWLDUVMGDOY-QFIPXVFZSA-N 437.588 4.130 10 20 IICD Cc1cc(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(C)n1-c1ccc(Cl)cc1 881275760 LGIHIVKMADXYLL-UHFFFAOYSA-N 439.943 4.304 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2C)cc1 918188454 VTXKGAIGTLSAKE-UHFFFAOYSA-N 437.474 4.365 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(OCC4CCCCC4)cc3)cc2)C1 919755048 WULDVUGKFSZVCM-HSZRJFAPSA-N 449.595 4.277 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 919925098 IECLWTTULHCKKB-UHFFFAOYSA-N 425.573 4.089 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2)C1 1323060793 IQYBEUZRALWABY-LJQANCHMSA-N 427.504 4.218 10 20 IICD C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)c1ccccc1 1788428921 HXAGCSOHLUSCDV-KRWDZBQOSA-N 445.519 4.434 10 20 IICD CSc1cc2c(cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OCCO2 726078573 LKHMULKOMZOVLX-INIZCTEOSA-N 430.526 4.098 10 20 IICD COCCOc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1Cl 726696694 BLEWAYJJRDLAMT-UHFFFAOYSA-N 433.936 4.164 10 20 IICD CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 728393130 RPMCCEMKWKNUJR-KRWDZBQOSA-N 447.963 4.475 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2F)C[C@@H](C)O1 728696340 VSAAJGIXQUZRMN-IYBDPMFKSA-N 440.519 4.036 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc(F)ccc1OC[C@H]1CCCO1 730902451 HUUKMTGCKGABEH-HXUWFJFHSA-N 445.560 4.258 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 731014827 LNGHKYNRGFKXRQ-UHFFFAOYSA-N 436.552 4.364 10 20 IICD COc1ccccc1Oc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 732453458 XPZAVNDPVCXQJN-UHFFFAOYSA-N 447.535 4.324 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 743954646 CTMIHLBEGKILJU-UHFFFAOYSA-N 441.959 4.170 10 20 IICD Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 745691745 MZBHAYUYTZLAON-ZKMPZPQNSA-N 448.611 4.174 10 20 IICD Cc1nnc(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)o1 746314076 REFDYKLEDLSAIU-KRWDZBQOSA-N 428.439 4.045 10 20 IICD Cc1cc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 747913455 KCVRVGFAUISJCG-NRFANRHFSA-N 430.957 4.263 10 20 IICD Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 749405095 BGFQHYNIIVSMMT-UHFFFAOYSA-N 425.529 4.149 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1O 750617827 WZNLKJGYKAWJIV-IBGZPJMESA-N 431.536 4.296 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 753354962 CHZNRAFBZDOPOJ-UHFFFAOYSA-N 432.609 4.321 10 20 IICD Cc1cc([C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccnc2)ccc1F 753623432 HHQSZONSMJSRRM-WIOPSUGQSA-N 432.543 4.110 10 20 IICD COc1ccc(OCc2nc(CN3CCN(c4ccc(OC)c(F)c4)CC3)cs2)cc1 753860609 KSTRHZRONXLSDN-UHFFFAOYSA-N 443.544 4.201 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(OCc4ccncc4)cc3)CC2)cc1F 753885235 OYPNXCKEGAZZAN-UHFFFAOYSA-N 436.487 4.162 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)c1O 757911563 CBRQGBSPOMOPPU-UHFFFAOYSA-N 435.196 4.384 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 759338790 LSCHPJSBTJDTBK-UHFFFAOYSA-N 433.491 4.060 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)c2C)cc1 760193666 BCURRJWMOADWTF-UHFFFAOYSA-N 430.501 4.039 10 20 IICD CC(C)(C)OC(=O)N[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 764543985 ZKUYLUXYDYQSPS-IBGZPJMESA-N 429.517 4.000 10 20 IICD COc1ccc2c(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccnc2c1 765473392 YRLXABDFZNVBCW-UHFFFAOYSA-N 444.514 4.111 10 20 IICD CCCCCn1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1 767198614 IQVZCNHVRPQUKG-QZTJIDSGSA-N 445.583 4.134 10 20 IICD CS[C@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 772249100 HSRSNMFEWIHZBX-JORMNFRLSA-N 440.681 4.474 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 775190111 JQDLUNSIOKEXOO-GAJHUEQPSA-N 435.955 4.489 10 20 IICD C[C@@H](NC(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1ccc(N(C)C)cc1 775601072 OKSODFKGYZEHGO-LJQANCHMSA-N 445.567 4.127 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3c(C)noc3-c3ccccc3)cc2F)CC1 775761911 XXJDBBRNGZFEKO-UHFFFAOYSA-N 437.519 4.253 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCCOc2cc(Cl)ccc21 775773367 XBCGUUAFYQPDAF-FQEVSTJZSA-N 447.938 4.153 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)[C@H](c3ccco3)C2)cc1 775832340 ZEVUVKZNRGASEM-UUOWRZLLSA-N 446.551 4.383 10 20 IICD CCOCCOc1ccc(Br)cc1NCc1ccc(N2CCOCC2)cc1 778639252 AKHWSKSTHAHXEZ-UHFFFAOYSA-N 435.362 4.313 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 779333277 UPAOONSFBHXHCU-NRFANRHFSA-N 441.522 4.361 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(N)cc1 783487998 ZYKQYCSFCDNAIJ-OAHLLOKOSA-N 446.532 4.046 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCOCC4(CCOCC4)C3)c2C)c1 784594477 YRCSEFDOUGRMDF-UHFFFAOYSA-N 428.598 4.128 10 20 IICD Brc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C2CCOCC2)c1 786578602 GYZLVYYTSXOXNQ-UHFFFAOYSA-N 445.401 4.467 10 20 IICD O=C(NCC1CCN(Cc2cccc(Br)c2O)CC1)OCc1ccccc1 787328923 TWPAKDMKHANXCP-UHFFFAOYSA-N 433.346 4.293 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3ccccc3OC(F)F)cc2)CC1 787377531 ZUPVOMZYEOOAOU-QGZVFWFLSA-N 445.510 4.018 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCCCCCF 791681414 IUVFJVVLXVIJRQ-UVTDQMKNSA-N 446.363 4.333 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3NC3CCCCC3)cc2)C1 795000830 WNHSSLPNVRAPTN-HXUWFJFHSA-N 434.584 4.063 10 20 IICD COc1ccccc1-n1nccc1/C=C1/SC(=S)N(c2ccc(Cl)nc2)C1=O 797398877 SBCKKSNPYMTMHZ-MHWRWJLKSA-N 428.926 4.335 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 806457221 GWCXBUWYRPIGRP-MRUHUIDDSA-N 449.954 4.016 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)ccc1-c1ccccc1 807387546 NLCURXRNCCJJJF-UHFFFAOYSA-N 439.309 4.385 10 20 IICD Cc1cc(Br)c(O)c(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 815155985 QENGMEMZFMVKGV-IFXJQAMLSA-N 435.337 4.444 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)cc1 815156131 VPJTUIDOPMYBSB-KOSHJBKYSA-N 425.548 4.145 10 20 IICD Cc1cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 825224265 SLFPSGZKOBGZTJ-UHFFFAOYSA-N 448.542 4.066 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 915083776 QAMJXDOPJOYGFF-UHFFFAOYSA-N 439.515 4.013 10 20 IICD O=S(=O)(/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 915851958 QITMQIXTEGTNDV-HKOYGPOVSA-N 445.544 4.372 10 20 IICD O=C(COc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1)N1CCCC1 916677978 YJAAOTYSTOUUDS-UHFFFAOYSA-N 449.507 4.221 10 20 IICD O=C(NCCCSc1ccc(F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 918180997 OBLJKPLDIDXSQT-UHFFFAOYSA-N 431.577 4.016 10 20 IICD Cc1ccc(Nc2ccccc2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918670832 ANCOUJQIOHHIDI-OAQYLSRUSA-N 442.563 4.370 10 20 IICD CC(C)(C)n1cc(C(=O)C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 919440009 VWXXZMZAJJTXNM-UHFFFAOYSA-N 433.468 4.418 10 20 IICD COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 919653814 FQFOXQHMNZRIDZ-UHFFFAOYSA-N 438.484 4.174 10 20 IICD O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 71999471 TVKRYLWVRZYMER-AKIFATBCSA-N 428.504 4.142 10 20 IICD C[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(N2CCOCC2)cc1 109180559 ASISQQCCYFHMHS-GOSISDBHSA-N 434.536 4.404 10 20 IICD CCOc1ccc(O)c(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1 237092278 OLSJDQFWGNTWJN-HSZRJFAPSA-N 447.503 4.352 10 20 IICD O=C(c1cccnc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCC1 301475403 SFBJYPFBVWBHMS-KRWDZBQOSA-N 430.499 4.390 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)on4)c3C)SC2=S)cn1 726986859 ZHBKNLPEGCCTJQ-CXUHLZMHSA-N 426.523 4.200 10 20 IICD C[C@@H](NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 727591130 LMJONLFQLLIBID-MRXNPFEDSA-N 425.920 4.245 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c1 730245671 BQKSXSNHTCMCIS-UHFFFAOYSA-N 448.548 4.244 10 20 IICD CN1CCCc2cc(CNC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)ccc21 730490511 YKGLHABVHKDVJF-UHFFFAOYSA-N 449.864 4.252 10 20 IICD Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2Cl)n1 731183450 WCJAENBXEHGKOS-UHFFFAOYSA-N 426.973 4.224 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C2CC2)cc1 732471906 HQDZOFBNMKVNBH-UHFFFAOYSA-N 436.600 4.101 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSC3=Nc4ccccc4C3)cc2F)C[C@H](C)O1 740766469 NLTQTSBAYOPASM-HOTGVXAUSA-N 427.545 4.075 10 20 IICD Cc1cc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)c(C)n1-c1ccc(F)cc1 741705896 SYYHPTHMLSMWMX-UHFFFAOYSA-N 435.528 4.200 10 20 IICD COc1cccc(-c2noc([C@H](C)NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)c1 742390794 OVDAXDYGEUCBFN-INIZCTEOSA-N 437.500 4.495 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)C2CC2)cc1 742525018 VSVLGQJMKUGGSE-GOSISDBHSA-N 435.597 4.165 10 20 IICD CC(C)n1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)cn1 743045846 BNRDMHATTSHNDK-UHFFFAOYSA-N 433.378 4.212 10 20 IICD CO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1 743555408 XVWXAEXOIMYJAN-ZMPRRUGASA-N 449.954 4.280 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1ccc2c(c1)CC(=O)N2 743809596 YUZIMHQONLILGW-UHFFFAOYSA-N 431.330 4.021 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCOCc1ccccc1 746863022 GDPGQTJRRHTCMX-NBVRZTHBSA-N 446.619 4.063 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc(C)cc(F)c3)sc2C)s1 747859011 UUPAVPYDQOCDAO-UHFFFAOYSA-N 439.559 4.064 10 20 IICD O=C(Nc1ccc(OC2CCC2)c(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 748980721 RERHFKCAXWQXEP-UHFFFAOYSA-N 438.455 4.223 10 20 IICD COC(=O)c1cc2c(/C=C3/SC(=S)N(c4cccnc4)C3=O)ccc(OC)c2o1 748994266 LGEFVLNMZASEIP-LZYBPNLTSA-N 426.475 4.029 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)n1 751012766 RUWCGAZSSLJFDZ-UHFFFAOYSA-N 437.569 4.482 10 20 IICD CN(CCCCc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751065762 SRHHSMTWYRBISR-UHFFFAOYSA-N 444.578 4.349 10 20 IICD O=C(c1cc2c(C(F)(F)F)cc(O)nc2o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 752151196 VVPZLRBRRHHKMQ-ZDUSSCGKSA-N 436.386 4.079 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(C)c4)cs3)cc21 753978859 WQDNTAVZJQNVAZ-UHFFFAOYSA-N 445.541 4.358 10 20 IICD CSc1cc(Br)ccc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O 755034102 NBBFPMYCEXGAIG-OQLLNIDSSA-N 443.457 4.466 10 20 IICD COc1ccc(CC[C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1O 756094500 AOOUYHXZZRTMMO-INIZCTEOSA-N 438.490 4.367 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccccc1CS(=O)(=O)c1ccccc1 758603409 DBBBXUUQEHBNHU-UHFFFAOYSA-N 447.607 4.421 10 20 IICD COc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)sc1Br 759674017 HTGPDGOGJWMKHG-ZDUSSCGKSA-N 426.332 4.046 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Oc2cccc(Br)c2)nc1 761636061 DFLXDMHROVLYEY-UHFFFAOYSA-N 444.285 4.412 10 20 IICD C[C@@H](NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1)c1ccc(N2CCOCC2)cc1 764357390 VKBHQYWCHJSZLA-FGZHOGPDSA-N 442.648 4.270 10 20 IICD C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765602728 WJUFWZVBGBZZNF-ROUUACIJSA-N 438.012 4.474 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 765643974 LSKKDNCISQKQED-AWEZNQCLSA-N 442.503 4.150 10 20 IICD CC(C)n1cc2c(n1)[C@@H](NC(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)CCC2 765886164 KXUOTKXGGMZYJX-XLIONFOSSA-N 447.530 4.411 10 20 IICD CCCCOc1ccccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 766411339 AZMPHBHRTQNMTO-UHFFFAOYSA-N 449.574 4.411 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(Br)cc(OC)c3)CC2)cc1 766484812 JJFGCJBRKRKJKS-UHFFFAOYSA-N 434.334 4.257 10 20 IICD C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccc(F)c1F 767155139 LKOJQJBHUHVDAD-NSHDSACASA-N 438.477 4.024 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)nn1CCCOc1ccc(F)cc1 767976802 QFEOTFYYCBSZNZ-UHFFFAOYSA-N 425.508 4.187 10 20 IICD CN(Cc1cc2c(cc1O)OC[C@@H]2O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 768442479 QLAMZDQPHDXEOV-DEOSSOPVSA-N 427.504 4.303 10 20 IICD C[C@@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(N(C)C)cc1 775412558 YNLHJGJBRMZSIH-ZUOKHONESA-N 437.487 4.380 10 20 IICD CSc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] 776851884 NGNYPHXPUVFHBK-ZDUSSCGKSA-N 437.468 4.317 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc(Cl)ccc2F)cc1 782423861 NKRKHCFBYAMVBM-UHFFFAOYSA-N 429.879 4.306 10 20 IICD CCN(CC)CCCC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 782506448 RROZGAZTAAEMAJ-OAQYLSRUSA-N 430.637 4.128 10 20 IICD C[C@@H](NCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1 782985743 UQQZFHIKRMGKMO-HXUWFJFHSA-N 435.568 4.030 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)sc2C1 789370317 JRVURCWYVMGAGS-OAHLLOKOSA-N 439.537 4.124 10 20 IICD Cc1ccc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccn2)cc1 792041969 YAEFRODPQJSKCG-SANMLTNESA-N 444.579 4.188 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nc(-c2ccc(Br)cc2)no1 792181160 PJEHCXITJRUNKN-HNNXBMFYSA-N 443.345 4.187 10 20 IICD Cc1nn(-c2ccccn2)c(Cl)c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 796265845 MOBZSPMPFVHDBK-HOTGVXAUSA-N 443.954 4.272 10 20 IICD OC1CCN(c2ccc(CNCc3c(F)ccc(Br)c3F)cc2F)CC1 800226855 PEQKWJZVOXJZIP-UHFFFAOYSA-N 429.280 4.117 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ncc(C(F)(F)F)s1)c1ccc(N)cc1 812983955 NCSYYRWIEHCEJP-GFCCVEGCSA-N 434.443 4.477 10 20 IICD CCOC(=O)/C=C\c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916625372 HCWRTVYCRJCKAT-GHXNOFRVSA-N 425.554 4.138 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3)CC2)cc1 916712369 JPULZFZKACSLAN-LJQANCHMSA-N 436.556 4.064 10 20 IICD COc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1OCc1ccccc1Cl 917355985 QFSGXZJGLDNVFP-UHFFFAOYSA-N 427.884 4.311 10 20 IICD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 917528653 MALPUXBEDYKJHQ-UHFFFAOYSA-N 441.495 4.432 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(N4CCCCCC4)nc3)cc2F)C[C@@H](C)O1 917715350 PNYCCGJCFNKFKR-RTBURBONSA-N 440.563 4.145 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)ccc1Cl 919970811 ZFCDPYVVRPQUSA-UHFFFAOYSA-N 441.728 4.133 10 20 IICD Cc1ccc(OCc2nc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)cs2)cc1 920397449 NFNUWYQJQHYIFS-OQLLNIDSSA-N 434.564 4.097 10 20 IICD C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 920882521 TWWDETMMGGLURO-GOSISDBHSA-N 437.565 4.289 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)c2ccccc2OC)cc1 1319640566 RMMHDZHZZVEJKJ-HHHXNRCGSA-N 449.570 4.474 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)OC(C)C)C3)cc1 1800513367 HDRPXWORFBSPJZ-HFGNEKBZSA-N 437.584 4.159 10 20 IICD CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1801817437 KHJDBAUTQKRPOY-FJJAOAGESA-N 448.991 4.465 10 20 IICD COc1ccc([C@H](NC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)C(C)C)cc1 14152363 XFQMZNSYAYZTPT-HXUWFJFHSA-N 441.553 4.174 10 20 IICD CCOc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 108466683 MQGLRQZGIFJDJA-HDICACEKSA-N 429.536 4.180 10 20 IICD Cc1cc(C(=O)NC2CCN(CC(F)F)CC2)c(C)n1-c1ccc(Br)cc1 109521290 SGLCNEVRAIGLRM-UHFFFAOYSA-N 440.332 4.316 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(C#N)cc1 303223899 WDPLUKOZYLBJAW-UHFFFAOYSA-N 446.938 4.217 10 20 IICD Cc1cc(-c2nc(-c3ccc(Br)o3)no2)ccc1NC(=O)C1=S=CC=C1 535403924 LENZSHDTHOKGMR-UHFFFAOYSA-N 430.283 4.284 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)s1 727249764 IBKTYZPMWWPKQX-UHFFFAOYSA-N 446.938 4.127 10 20 IICD COc1ccc(CN(C)c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])cc1C 728566141 CODRXNQPVORJMA-UHFFFAOYSA-N 440.250 4.228 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1F 731346009 PHEHOIPUSXWGKK-CYBMUJFWSA-N 440.346 4.413 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)ccc21 731806268 IQYFQRXZHAVVBM-UHFFFAOYSA-N 425.510 4.025 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 737779571 IHRUTCLUJZYJTN-XMMPIXPASA-N 431.536 4.379 10 20 IICD COc1ccc(N(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)Cc2ccco2)cc1F 739926879 VRYOGCZQOQIMBK-HSZRJFAPSA-N 442.462 4.173 10 20 IICD COc1ccc(Br)cc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 741547290 DEXPLVUIRBLTPZ-UHFFFAOYSA-N 444.373 4.242 10 20 IICD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2)c1 742468902 SGKKEBQTUNWPQQ-HSZRJFAPSA-N 433.596 4.462 10 20 IICD Cc1cc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccn1 743487022 YPNAKJUSMYAPFS-UHFFFAOYSA-N 447.516 4.230 10 20 IICD CCc1cnc(N2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)s1 743952146 FGJAALWGGGCWOS-UHFFFAOYSA-N 448.552 4.408 10 20 IICD O=C(NCc1ccccc1O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 746742039 ZDCDLPUIHJIDCS-UHFFFAOYSA-N 429.274 4.404 10 20 IICD O=C(NCc1ccccc1O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 748345101 IFSJCURUBXHSRR-UHFFFAOYSA-N 425.282 4.337 10 20 IICD CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C 748628422 VWBBNIFYYRRKSU-RTBURBONSA-N 425.520 4.102 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1OC 749009245 CMPQEHMXASZSQP-UHFFFAOYSA-N 444.456 4.354 10 20 IICD C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 752806466 ZZKZGRBZFWGJPX-SJORKVTESA-N 440.540 4.064 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@H](C)O1 752891487 KQSQXUGSWLJRFT-HOTGVXAUSA-N 444.507 4.082 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1 760034638 PBLUSWXUWNBREZ-UHFFFAOYSA-N 429.528 4.326 10 20 IICD Cc1ccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)N2CCOCC2)cc1 765240421 SNZGTNLGADBODF-NBGIEHNGSA-N 444.019 4.209 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)c1 767362395 SBSJDAKTPQKTOQ-UUASQNMZSA-N 437.340 4.267 10 20 IICD COc1ccc(N2CCC(NC(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 767936587 AHIFGWBVBQUFOL-UHFFFAOYSA-N 439.556 4.222 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)cc1 773087736 JYBWEPADYLTPMM-KRWDZBQOSA-N 437.565 4.418 10 20 IICD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773619627 NCEAZNQBBPUSNI-OALUTQOASA-N 437.588 4.130 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1ccc(N(C)C)cc1 776249348 NDGUOJLZLWVYTM-OAHLLOKOSA-N 449.382 4.288 10 20 IICD CS(=O)(=O)CC1(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCOCC1 776840344 BZBVXNYUDYBUMT-UHFFFAOYSA-N 448.532 4.046 10 20 IICD COCC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1 778759178 ZMJSTPONCVXALR-VQIMIIECSA-N 437.487 4.235 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl 784023767 FVGNJWOAQPWMKQ-UHFFFAOYSA-N 439.737 4.494 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3occc3CSc3ccccc3)cc2)CC1 786658560 ANBNAVZZIIQGPJ-UHFFFAOYSA-N 449.576 4.170 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)cc1 788566021 XUIZYFABKUFDNJ-CQSZACIVSA-N 430.492 4.090 10 20 IICD CC(=O)Nc1ccc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cn1 788607102 UPBHMQPCSQKCHA-VIFPVBQESA-N 443.139 4.121 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc(-c2ccco2)s1 791249915 LIYFQWCCTDMVRJ-UHFFFAOYSA-N 427.526 4.405 10 20 IICD C[C@@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 794843387 WGSUSJLONOPOFG-PSLIRLAXSA-N 449.223 4.466 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(Br)c(C)cc3OC)CC2)cc1 795992353 IFMQWSHSLCZLNE-UHFFFAOYSA-N 433.346 4.174 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc4c3oc(=O)n4C)cc2Cl)C1 800551565 KIENKMMMPPZVSL-AWEZNQCLSA-N 428.920 4.343 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 800762294 FRJSEXFLHGGLOC-RUZDIDTESA-N 444.579 4.422 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)OC 802610096 QFSGATYJIYLNPG-UHFFFAOYSA-N 446.569 4.305 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 806432733 ANIYCICBLVSGOR-OAQYLSRUSA-N 439.560 4.001 10 20 IICD CC(C)(CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1cc(F)cc(F)c1 807419510 CVAGVMVARDXJHW-IBGZPJMESA-N 434.483 4.219 10 20 IICD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 807836936 UYFTYZGQXCGVTA-LBPRGKRZSA-N 427.353 4.384 10 20 IICD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(Cl)cc(Cl)c1O 807838185 MBTVZESUPZLUQU-UHFFFAOYSA-N 427.287 4.484 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2ccc(N3CC=CC3)cc2)c1=O 808870091 XZSVNJHOELEOSE-UHFFFAOYSA-N 432.499 4.042 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc(N4CCCNC4=O)cc3)ccc21 812572731 PBPNKXTUVWIPEN-GOSISDBHSA-N 448.567 4.315 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)c2C)cc1 813667379 SYWARXVMWANQKN-UHFFFAOYSA-N 436.487 4.414 10 20 IICD CC(C)(C)S(=O)(=O)N1CCC(N[C@@H](CCc2ccccc2)c2ccccc2O)CC1 815620608 VXQMGGLYFPKVPX-QFIPXVFZSA-N 430.614 4.248 10 20 IICD COc1cc(Cl)cc(CNc2cc(N3CCOCC3)ccc2Br)c1O 864014050 FISBCDUNQJPSPM-UHFFFAOYSA-N 427.726 4.265 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2cccc(NC(C)=O)c2)C1=O 913517301 JOGVJLBWQLNACI-DJKKODMXSA-N 444.534 4.077 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C2CC2)cc1 915641418 NHXSGTLEIDUJIH-UHFFFAOYSA-N 435.568 4.292 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(Br)cc3)cc2F)C[C@@H](C)O1 917713444 QVGUQTWNCSEABV-HUUCEWRRSA-N 435.337 4.061 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1OC 917897350 JABJEHGNQVCHLA-UHFFFAOYSA-N 438.502 4.084 10 20 IICD CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918224976 YCHNRTHXPKDCFG-UHFFFAOYSA-N 425.426 4.023 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)cc1 918310474 MYSWBDDNNYDUOD-UHFFFAOYSA-N 436.600 4.116 10 20 IICD CCCOc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 918456985 QEWCRSRRSWLNPV-UHFFFAOYSA-N 429.948 4.325 10 20 IICD CC(C)c1ccsc1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 919730978 CBVFMCPJCKVHJO-HZPDHXFCSA-N 448.560 4.097 10 20 IICD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 919882834 FIGCXBTXYFPZLA-SANMLTNESA-N 431.580 4.248 10 20 IICD C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 920420028 PQXYAMMXQXRVHF-QGZVFWFLSA-N 446.389 4.058 10 20 IICD O=C(NCCCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 920423639 ZHMFNBMWTWVNFI-UHFFFAOYSA-N 439.453 4.113 10 20 IICD C[C@H](Nc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1)c1ccccc1 920809781 NKHBJHBHIUDZDT-HNNXBMFYSA-N 425.510 4.189 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c1 1324946280 SRKGICOESGVVKZ-UHFFFAOYSA-N 430.980 4.450 10 20 IICD Cc1ccc(C)n1-c1ccsc1-c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1 1329052557 OUYILKVCSPWTNY-UHFFFAOYSA-N 428.539 4.123 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 303138015 CKYBYUNMNXIDKK-GGAORHGYSA-N 425.548 4.263 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cccnc3OC3CCCC3)no2)cc1)C1=S=CC=C1 544269785 DFZWFSWSERWFRU-UHFFFAOYSA-N 432.505 4.336 10 20 IICD CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 725781425 METKDVNKMDKKAL-UHFFFAOYSA-N 447.373 4.116 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 727265350 CBIONWBHSLUSIW-UHFFFAOYSA-N 448.951 4.270 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 731058375 VVKNKRQLASXKGE-UHFFFAOYSA-N 439.562 4.226 10 20 IICD C[C@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731544177 VRVKKWNFUMOKGS-OAHLLOKOSA-N 437.462 4.150 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 731885498 QSSFBDMIPZKLOC-UHFFFAOYSA-N 435.480 4.282 10 20 IICD COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N(C)C)cc1C 741190029 XOOUJNVOQBNKSE-SFHVURJKSA-N 433.390 4.335 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 742602422 RDHPUOCWELNXJP-WIYYLYMNSA-N 426.532 4.308 10 20 IICD COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742798420 NENFLGSVDKOQJI-QGZVFWFLSA-N 432.467 4.045 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC[C@@H]2CCCO2)cc1 742800406 QZHOTAQWQHFLLP-GCJKJVERSA-N 446.494 4.245 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4cccnc34)n2)cc1[N+](=O)[O-] 743046000 JVMMLYNKCNNYPF-UHFFFAOYSA-N 426.479 4.376 10 20 IICD CCc1nc(CN2CCC(CNC(=O)NCc3c(O)ccc4c3CCCC4)CC2)cs1 743605691 UVJODSVJKMGIIJ-UHFFFAOYSA-N 442.629 4.001 10 20 IICD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c(O)ccc2c1CCCC2 743719431 ZIHVRPVOLDKEHO-HXUWFJFHSA-N 447.000 4.092 10 20 IICD CN(Cc1ccc(Cl)s1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748008883 RDSIPZPSGFBZCO-UHFFFAOYSA-N 442.971 4.242 10 20 IICD COC(=O)c1ccc(-c2nc(CN3CCN(c4ccc(OC)c(F)c4)CC3)cs2)cc1 753859959 DCMKUKFPWJFOHR-UHFFFAOYSA-N 441.528 4.067 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1 754919643 DOSLCULAIUKXMI-UHFFFAOYSA-N 432.524 4.317 10 20 IICD Cn1cc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21 755291532 DTCOMLKKFZPDSE-UHFFFAOYSA-N 427.495 4.498 10 20 IICD C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763428881 ZQFYKZQWFFXMFN-ROUUACIJSA-N 431.577 4.151 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cs1 768866448 RRAXYBXYKPDLKN-UHFFFAOYSA-N 433.492 4.439 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3cccc(C(F)(F)F)c3)cc2)C1 769893578 MGMDBBUMSLHPKX-LJQANCHMSA-N 447.501 4.046 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 769966102 DQFHWBJXIFTZIQ-LJQANCHMSA-N 435.568 4.109 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 772117897 KZBCBWFWKJEMFY-GOSISDBHSA-N 433.434 4.061 10 20 IICD COc1ccc(O)c([C@@H](C)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1 775557810 KWHNVMFAEPTVBD-MRXNPFEDSA-N 432.476 4.249 10 20 IICD C[C@H](NCCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1Cl 775577984 RQQFIDCUANFPHK-HNNXBMFYSA-N 443.897 4.406 10 20 IICD CCOC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)c1ccc(OC)c(Br)c1 779179840 YHMOQEWGVYDZQY-MRXNPFEDSA-N 446.700 4.350 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 784026800 JEJSDVAHBSNBCC-UHFFFAOYSA-N 434.540 4.138 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](C)c1cc(C)sc1C 787849824 UEZPJXYCQJUYIE-GFCCVEGCSA-N 439.375 4.059 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Br)c1Cl 802570974 CYXXRBYNBBXQKA-UHFFFAOYSA-N 425.710 4.185 10 20 IICD Cc1cc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(Br)c1 807512728 GUJINKAMNUMMAF-UHFFFAOYSA-N 446.128 4.333 10 20 IICD CCCCOc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cl 807671840 TZBJRYMMUAAEMU-MRXNPFEDSA-N 431.964 4.079 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnc(NC(C)=O)s3)sc2C)cc1 808527743 LNWRIXIIRLGQQH-UHFFFAOYSA-N 436.584 4.287 10 20 IICD COCCS(=O)(=O)CCCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814771632 AYKDRFGHQIRWMJ-WJDWOHSUSA-N 441.621 4.056 10 20 IICD CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC 914517884 BWOQKTGNHNSXRB-UHFFFAOYSA-N 430.416 4.046 10 20 IICD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c(C)n1-c1ccccn1 914613494 BGWBNZAWDMMLSN-UHFFFAOYSA-N 434.521 4.393 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 916502924 BWUNCPILTNSKMJ-UHFFFAOYSA-N 438.597 4.371 10 20 IICD CC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C 916678260 SOOOOEYWGJFUEG-IYBDPMFKSA-N 428.508 4.028 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OCC(F)(F)F)c1 919912383 FOIGDUAKEIKYLV-UHFFFAOYSA-N 437.462 4.437 10 20 IICD Cc1cc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C)n1-c1ccc(F)cc1 920293657 UEEANXPYQOCUBH-QHCPKHFHSA-N 435.499 4.281 10 20 IICD C[C@H](OC1CCCCC1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1318742405 WXBLYRGWUQIJNC-UWJYYQICSA-N 433.593 4.172 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1Cl)c1cc(O)c(O)c(Cl)c1 1798974579 SONBNXHVWLLKSA-ZSBIGDGJSA-N 441.336 4.032 10 20 IICD CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815045622 VPBAZEPCOXSXOM-LRDDRELGSA-N 434.924 4.216 10 20 IICD O=C(c1cnc(Cc2ccc(F)cc2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 97576308 VHMVKAVNPFZYGP-IBGZPJMESA-N 426.513 4.400 10 20 IICD Cc1c(CNC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)n(C)c2ccccc12 471665902 STRRJRZYLFHFAL-UHFFFAOYSA-N 427.508 4.133 10 20 IICD O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 602219786 AEMBYYHVLCSXIQ-UHFFFAOYSA-N 425.448 4.105 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 727170571 SZPGLNPAFSZJRI-UHFFFAOYSA-N 436.581 4.440 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)/C=C\c2ccc(I)o2)cc1 728219977 VBDUDQPCXHWIQB-QBFSEMIESA-N 438.309 4.402 10 20 IICD COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1O 729858779 BYVMYXUDVFGJEY-PGRDOPGGSA-N 436.533 4.181 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731016173 OXYYOUVMXGTMEI-QHCPKHFHSA-N 439.625 4.091 10 20 IICD CCN(C1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)S(C)(=O)=O 731399572 NVAHHDRTACOKFV-UHFFFAOYSA-N 429.546 4.380 10 20 IICD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cc(OC)ccc2O)c1 734017660 VDZVPLBHFCOLMB-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 734675811 OYJNDNMEIWDYSE-QFIPXVFZSA-N 430.543 4.399 10 20 IICD Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 735384619 KHIIYJWFWUWQEX-FGZHOGPDSA-N 441.547 4.199 10 20 IICD COc1cc(N(C)CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 741799321 YSDQYLSXKNNDPS-UHFFFAOYSA-N 449.479 4.189 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F 743597546 DLWUJLFIUMQZGI-JOCHJYFZSA-N 426.580 4.335 10 20 IICD Cc1ccc(-c2nc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)sc2C)cc1 748720814 BGTSDQDABDVWJU-UHFFFAOYSA-N 427.551 4.355 10 20 IICD COc1ccc(N2CCN(C(=O)NCc3nc4cc(Cl)ccc4s3)CC2)cc1F 753863408 BJWSDQHWPCHFMJ-UHFFFAOYSA-N 434.924 4.129 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1 753948400 YOAPJMLNYKRJLU-UHFFFAOYSA-N 438.572 4.415 10 20 IICD CCc1c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1CCC(C)C 756075673 HLGMSFCZMUKGNN-UHFFFAOYSA-N 439.604 4.079 10 20 IICD C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cc(Br)cc(Br)c1O 756641295 SUUWJUWCILZTDI-OZUAJXCXSA-N 427.136 4.226 10 20 IICD COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)c2ccc(OC)c(F)c2)cc1 757851430 JCTMUHDXYCMMOS-UHFFFAOYSA-N 437.471 4.170 10 20 IICD O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 759588480 LSKMDLQTGKNPHB-VVNKITKKSA-N 437.879 4.213 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]1c1cccc(Br)c1 764771290 WSSHUUGGXARTKF-DZGCQCFKSA-N 440.135 4.273 10 20 IICD Fc1cc(CN[C@H]2CCCOc3c(Br)cccc32)ccc1N1CCOCC1 765118606 NIOPLDOJCFOWTM-IBGZPJMESA-N 435.337 4.428 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cc(Br)cc2cccnc12 765766800 BSYLPIKLBMUFKN-UHFFFAOYSA-N 436.103 4.395 10 20 IICD CCc1nc(CN2CCC(CNC3CCN(c4ccc(OC)cc4)CC3)CC2)cs1 765911295 OOTLQKQOXJUTMB-UHFFFAOYSA-N 428.646 4.185 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3cccc(OCc4ccc(F)cc4)c3)cc2)C1 766459509 SEIXIFRNEUNSAQ-QHCPKHFHSA-N 447.554 4.396 10 20 IICD COc1ccc(C(=O)C2CCN(Cc3cc(Br)cc(OC)c3O)CC2)cc1 768226345 MOVZVFGXWGTWDC-UHFFFAOYSA-N 434.330 4.267 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2SCc2ccccc2)c1 769633969 NSUBEACUMPOPIC-UHFFFAOYSA-N 428.535 4.308 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCCc2ccccc21 769763158 UAOFABINFMYZFE-UHFFFAOYSA-N 428.535 4.238 10 20 IICD CCC(=O)N1CC[C@@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)C1 773002663 RDDVWELHEMQYEP-QGZVFWFLSA-N 428.554 4.486 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC(C)(C)C)nc1 779407497 AYWXVVMPVGWBGC-UHFFFAOYSA-N 436.350 4.459 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 779673984 GBKRGHOMGXZFHS-UHFFFAOYSA-N 430.593 4.241 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 780397694 PAJBIPCGPLSZCB-UHFFFAOYSA-N 440.412 4.168 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Cl)c(OC(F)F)c1 780696068 WXWUTTORYVKIOS-UHFFFAOYSA-N 439.890 4.472 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 784023580 DRIPFBJGEOFOTF-UHFFFAOYSA-N 449.473 4.389 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc21 784106303 KIPUBCSPGHOEEV-UHFFFAOYSA-N 448.567 4.120 10 20 IICD Cc1cccc(-c2cccc(CNC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)c1 788928670 BNWNQZYEIJEXIK-UHFFFAOYSA-N 427.548 4.195 10 20 IICD COCCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC[C@H](C)C1 790283841 LDIFZKISKHDMJN-QFBILLFUSA-N 425.520 4.103 10 20 IICD COc1ccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(O)c1 794381132 LTQPJXHFFSYTCJ-UHFFFAOYSA-N 431.495 4.155 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cc2F)C[C@@H](C)O1 798057361 NDLLQRHMJUMIIS-NVEXJGOOSA-N 429.511 4.324 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCc2nnn(CC(F)(F)F)n2)cc1 799454915 UDHKRTLVQYBHHT-UHFFFAOYSA-N 433.394 4.074 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800637110 TXTGRAQLZHSRFC-MRXNPFEDSA-N 429.948 4.230 10 20 IICD Cc1cnc([C@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C2CC2)s1 803676417 HTDAYOPRMFQUGQ-OAQYLSRUSA-N 440.613 4.104 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(Br)c(F)cc1O 806169016 HIECXTBYKAPAEU-GHMZBOCLSA-N 441.263 4.278 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(Cc4ccccc4)cs3)cc2)CC1 806890731 BXJNGQCHMXJRPV-UHFFFAOYSA-N 448.592 4.225 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 808793079 XHSZLVASNJZPSS-JOCHJYFZSA-N 437.927 4.085 10 20 IICD Cc1cc(CCNC(=O)N[C@@H](C)c2noc(COC(C)C)n2)c(C)n1-c1ccccc1 811972590 QUIFZRIHTJSJNT-KRWDZBQOSA-N 425.533 4.005 10 20 IICD CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc2C1=O 825177837 SCVORZYOINMADT-UHFFFAOYSA-N 442.431 4.123 10 20 IICD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 914485644 XASGNPZOAKBSHI-MRXNPFEDSA-N 429.561 4.143 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 914689464 HCCFQMNFQVCOFW-UHFFFAOYSA-N 434.506 4.189 10 20 IICD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 914778677 GUSKKRPYSVAMEO-HSZRJFAPSA-N 437.584 4.195 10 20 IICD CC(C)N(C)Cc1ccccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 916387595 WDXWTDFKESGYAV-UHFFFAOYSA-N 426.630 4.079 10 20 IICD Cc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1C(=O)N1CCCC1 916624726 NTAWKLAGKBHCSA-UHFFFAOYSA-N 438.597 4.106 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 917417978 QTUPNDLEQATCQH-UHFFFAOYSA-N 427.549 4.406 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 918084117 YIPPOIIJWPZTSD-UHFFFAOYSA-N 436.581 4.105 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 918412345 VVLAOBWKGIIIJE-UHFFFAOYSA-N 442.523 4.216 10 20 IICD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 918675406 CZFWPVRGAYEAJS-NRFANRHFSA-N 425.916 4.262 10 20 IICD Cc1c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cccc1C(=O)N1CCOCC1 919776903 XBTFGBWQZYYOLK-UHFFFAOYSA-N 449.507 4.000 10 20 IICD COc1ccc(C)cc1C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 919924382 WNPCNUJTKHKPCC-UHFFFAOYSA-N 437.584 4.151 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)cc1 1116421427 OLTYHZKYWFKSPT-UHFFFAOYSA-N 443.547 4.324 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 482494725 SZQFUKGTOHQYPD-GOSISDBHSA-N 442.581 4.141 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SC[C@@H](O)Cn1cccn1 726071001 DOLIIFJMMAVLCW-KRWDZBQOSA-N 435.391 4.318 10 20 IICD COc1cccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)c1OC 726627727 UKVSICMKYCVJBD-XDJHFCHBSA-N 428.579 4.432 10 20 IICD Cc1ccc2c(Cl)c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)sc2c1 729179157 YEJFDIAABUALLF-INIZCTEOSA-N 441.984 4.495 10 20 IICD CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1Cl 731408904 ZRNKOFBNHJECAO-UHFFFAOYSA-N 435.927 4.369 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(SC(F)F)cc2)cc1F 731409049 JMGJCYOOKXKKHJ-UHFFFAOYSA-N 425.476 4.242 10 20 IICD Fc1cc(CN=c2cc[nH]c3ccc(Cl)cc23)ccc1N1CCN(c2ncccn2)CC1 734141234 FOSQZMUMBIBNHO-UHFFFAOYSA-N 448.933 4.178 10 20 IICD O=C(c1cc2ccc(Br)cc2[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517369 KKUJIQSQMFSSCH-KRWDZBQOSA-N 429.314 4.457 10 20 IICD COC(=O)C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21 741589587 URGXBVKCGWCYAC-LJQANCHMSA-N 438.487 4.241 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1 742172524 CMIGAIQXEVCUJA-BXKMTCNYSA-N 426.532 4.149 10 20 IICD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742417019 OMPBGWIORKAAAJ-AREMUKBSSA-N 446.595 4.300 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 743719741 QRGBSAOHXPDXGE-HSZRJFAPSA-N 444.531 4.051 10 20 IICD COCCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c2ccccc21 750873918 AZZSEDDNEODYOS-JOCHJYFZSA-N 435.568 4.175 10 20 IICD C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 751083382 MUZIXHDNSWHTRC-NZQKXSOJSA-N 438.641 4.092 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(C)c4)cs3)cc2C[C@H]1C 753978407 OBKMHHNTHLXUOH-CYBMUJFWSA-N 445.541 4.356 10 20 IICD COc1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(O)c(C(C)(C)C)c1 754727011 FKTGJQFLYZTXHO-UHFFFAOYSA-N 428.548 4.366 10 20 IICD COc1cc(OC)cc([C@@H](N[C@H](C)c2cc(Br)ccc2O)c2nccn2C)c1 756393219 QXGYBQMSFPLFIR-ZUOKHONESA-N 446.345 4.346 10 20 IICD C[C@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1O 756571761 DVVBPJKVLNLKDW-HNNXBMFYSA-N 428.404 4.074 10 20 IICD CN(Cc1cc(Cl)cn1C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 757712197 KTXANIQIEHBEFP-HNNXBMFYSA-N 426.895 4.090 10 20 IICD C[C@H](NCc1cccnc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 764860319 LPJFFMOOMCEURV-AWEZNQCLSA-N 429.870 4.364 10 20 IICD CC(C)[C@H](CCc1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765981608 XOTVTYVIRNGPEC-QHCPKHFHSA-N 435.033 4.322 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 768024470 JGXIMROWZBGVEX-UHFFFAOYSA-N 447.583 4.357 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2cccc(F)c2C1 768070420 NKLABLOMYMFBOE-PDGQHHTCSA-N 446.594 4.454 10 20 IICD CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 768863411 NYOUUEGQBWLSLT-UHFFFAOYSA-N 432.565 4.416 10 20 IICD COc1ccc(N2CCCN(Cc3ccc(OC)c(OCc4cccnc4)c3)CC2)cc1 768999403 XCKLVZZMANFVHR-UHFFFAOYSA-N 433.552 4.390 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 772635640 DSIUEWMCEVXIPG-UHFFFAOYSA-N 442.523 4.161 10 20 IICD CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Br)ccc1O 775491368 IVXFQYWEICGLJA-FZKQIMNGSA-N 441.391 4.207 10 20 IICD CC[C@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O 775498161 HULPQCPXEYMHEK-LEWJYISDSA-N 432.406 4.184 10 20 IICD CCOCCOc1ccc(Br)cc1NCc1ccc(N2CCN(C)CC2)cc1 778642349 YHULONFXFXRECG-UHFFFAOYSA-N 448.405 4.228 10 20 IICD Cc1cc(Br)cc([C@H](C)NCCCS(=O)(=O)Cc2ccccc2)c1O 779001920 CZXHPNNMNZPVMT-HNNXBMFYSA-N 426.376 4.119 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2-c2csc(C)c2)cc1F 782556864 ZHEGGXSZMQJPFH-UHFFFAOYSA-N 440.544 4.359 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc(OC)c1OC 783485254 IIGXFEAVIQJKAL-MRXNPFEDSA-N 449.507 4.028 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 784026828 KXVMTHBPKYOQPL-UHFFFAOYSA-N 431.492 4.022 10 20 IICD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(OCc2ccccc2)c1 785994941 RUZHRNHOFSVYQK-GOSISDBHSA-N 447.535 4.156 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](c3cccc(Cl)c3)C(C)C)cc2)CC1 786660439 XEJJRXRJMGWSEC-QHCPKHFHSA-N 427.976 4.065 10 20 IICD C[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc(C(F)(F)F)c1O 788821716 YREHANIPELAEAW-XMHCIUCPSA-N 447.457 4.487 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 788931328 DEBSVLDKDIJMJZ-UHFFFAOYSA-N 427.548 4.132 10 20 IICD NC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1cccc(Br)c1 793265273 HKYXRZOIXAJKNW-NRFANRHFSA-N 441.325 4.050 10 20 IICD CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 795368448 USGUDQRTDSOOKR-CVCZCXRASA-N 446.657 4.170 10 20 IICD COc1cc2c(cc1S(=O)(=O)Nc1ccc(N=Nc3ccccc3)cc1)OCC(=O)N2 797427860 JKGOXAWQQQFUHO-UHFFFAOYSA-N 438.465 4.242 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2Cl)C1 800050318 SNCCKFRETJBDER-KRWDZBQOSA-N 436.943 4.052 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4c3ccn4C)cc2Cl)C1 800636282 INGBLEDCCINJPP-MRXNPFEDSA-N 438.959 4.323 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4cccnc34)cc2Cl)C1 800637459 ZDXWDDHEQPQOJW-MRXNPFEDSA-N 436.943 4.379 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 800762547 LBTIPHSLKQRERM-XMMPIXPASA-N 432.568 4.276 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c(Cl)n1 800933972 VSQJHQFYHRPLBZ-UHFFFAOYSA-N 448.957 4.161 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(F)cc3C(=O)N(C)OC)c2C)cc1 803719236 WEDFCOIOFPHMNK-UHFFFAOYSA-N 425.460 4.128 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C(F)F)cc1 804985591 BZMWTZAUYGQSPV-UHFFFAOYSA-N 432.439 4.173 10 20 IICD CC(C)(C)OC(=O)NC[C@@](C)(O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 809957465 YNTUFAYARLYETA-LJQANCHMSA-N 445.507 4.480 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)n2)c[nH]1 811822903 OFAYTNBYVXVPMU-UHFFFAOYSA-N 445.444 4.053 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(Cl)cncc1Cl 814320652 ZRYGRXYMSKZXNK-UHFFFAOYSA-N 434.245 4.174 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3 816940557 GIJAQPKCHSLTQA-UHFFFAOYSA-N 442.357 4.286 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(Cl)c1 824981810 ZRLDKYBOTKAMTJ-UHFFFAOYSA-N 433.942 4.457 10 20 IICD O=C(COC(=O)C1CCN(c2cnccn2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 913557928 WLDJDYFLLDAARF-UHFFFAOYSA-N 444.495 4.290 10 20 IICD COc1ccc([C@@H](NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)C)cc1 914903582 PLSXCRZABMCQNH-DEOSSOPVSA-N 435.524 4.168 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(C)n1-c1ccc(F)cc1 915269269 SJWZPCIUIRULKL-QGZVFWFLSA-N 425.548 4.344 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 915290314 KAGRCZDWEGCMFL-UHFFFAOYSA-N 445.522 4.407 10 20 IICD COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 918030585 XZGHOICTBRDUKW-UHFFFAOYSA-N 436.556 4.336 10 20 IICD Cc1cc(C(=O)NC[C@H](CO)Cc2ccco2)c(C)n1-c1ccccc1Br 918069667 RZWOIFSYZQCRGS-MRXNPFEDSA-N 431.330 4.031 10 20 IICD Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918286356 HFDVEVGBGBXVAC-HDICACEKSA-N 441.547 4.126 10 20 IICD COCC(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919652574 MRFYGFNIZQPNAJ-UHFFFAOYSA-N 436.512 4.165 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 920344918 QWFBRCBWJXUNPT-UHFFFAOYSA-N 448.542 4.451 10 20 IICD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 921244707 MMEXOTUEFBDTAZ-AVRDEDQJSA-N 443.975 4.263 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)cc1 1319397261 JWIPZRJYXOXZJW-UHFFFAOYSA-N 433.508 4.201 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccccc3NS(C)(=O)=O)c2C)c1 1330998224 KJIWGODHANJSTP-UHFFFAOYSA-N 425.554 4.012 10 20 IICD COCCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 22104683 LALRIDOEHZCQIE-UHFFFAOYSA-N 438.475 4.326 10 20 IICD COc1ccc([C@@H](NCc2cc(C)c(C)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 237265694 WFHDCNHDTJLLTB-XMMPIXPASA-N 425.550 4.300 10 20 IICD OC1CCN(c2ccc(CNc3nc4ccccc4nc3N3CCCCC3)cc2F)CC1 301888653 PZGUVSZUXPDOAV-UHFFFAOYSA-N 435.547 4.332 10 20 IICD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ccc(N2CCCC2)cc1 726190839 MZTFWFJWLRGUNX-FQEVSTJZSA-N 449.599 4.104 10 20 IICD O=C(NCCCNCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 726606515 AINVKCLKZSDZGL-UHFFFAOYSA-N 430.390 4.349 10 20 IICD COC(=O)c1ccc(C)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726609280 PSRHDSICEVSNCH-UHFFFAOYSA-N 433.455 4.174 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)cc1 727037230 LKVINNAGMMGADX-UHFFFAOYSA-N 440.563 4.259 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc(Cc2ccc(F)cc2)s1 727164874 TZZLUCGUYNUBIZ-UHFFFAOYSA-N 439.556 4.012 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 727947670 YMPFFLVHAQWNNW-UHFFFAOYSA-N 445.450 4.469 10 20 IICD Cc1cc(C(=O)NCCNC(=O)c2c(F)cccc2F)c(C)n1-c1cccc(Cl)c1 732967544 RMBFJDPYQSDKLJ-UHFFFAOYSA-N 431.870 4.186 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(F)cc1OCC(F)(F)F 733845202 PAQHJRKYDQYDDI-UHFFFAOYSA-N 445.388 4.064 10 20 IICD CCn1c(SCC(=O)NCCCSc2nccs2)nnc1-c1cccc(C)c1 733973075 SRRAXBVMYJSCPV-UHFFFAOYSA-N 433.628 4.121 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cc(F)cc2F)NC(=O)OC(C)(C)C)cc1 742751538 VBQFZTDWRRJHLB-GOSISDBHSA-N 437.462 4.166 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 745494997 CIXHIVNMZWCZRH-HZPDHXFCSA-N 426.399 4.054 10 20 IICD O=C(NCCCc1nnc2n1CCCCC2)N(Cc1ccccc1O)C1CCCCC1 745799194 DAYWEBFTVZXURU-UHFFFAOYSA-N 425.577 4.187 10 20 IICD C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1(F)F 753029100 KWQYKKFFQRGAKH-XTCQQWIJSA-N 430.567 4.233 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)c(Cl)c2)SC1=S 754833944 PZKDFWNPXKJDFU-WQLSENKSSA-N 434.764 4.257 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cncc(-c2ccc(Cl)cc2)c1 758260365 ZIIBXUAKNPCSFM-UHFFFAOYSA-N 439.918 4.432 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-c4ccc(C)o4)s3)CC2)cc(OC)c1OC 759222989 ONWAXQYABBJPIQ-UHFFFAOYSA-N 442.537 4.305 10 20 IICD O=C(COc1ccc(Br)cc1Cl)NCc1cccc(Br)c1O 765731427 IYTSINYNYGZCKH-UHFFFAOYSA-N 449.526 4.266 10 20 IICD CCOCCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 765854498 LIIXALSGHZBPFR-QGZVFWFLSA-N 425.520 4.153 10 20 IICD CN(CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cc2c(cc1O)OC[C@@H]2O 768439485 IAUOAQMUMIUYTA-QHCPKHFHSA-N 426.488 4.457 10 20 IICD C[C@@H](NCc1ccc(Cl)cc1I)c1cc([N+](=O)[O-])ccc1O 774494019 BRHHFNSYYHBBGA-SECBINFHSA-N 432.645 4.409 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(N(C)C)cc1 776238690 KMQXAADRFHOTDZ-INIZCTEOSA-N 448.489 4.000 10 20 IICD CC[C@@H]1C[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782002792 SVODOLBPPICMOM-DUXKGJEZSA-N 433.593 4.030 10 20 IICD CC[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1cccc(C(F)(F)F)c1 786655472 DYLWFHJGYAAGQA-JOCHJYFZSA-N 447.501 4.184 10 20 IICD CCN(C)c1ccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cn1 790107281 FXYSBTHABACEEP-XDJHFCHBSA-N 426.611 4.265 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1 790546772 NUCIBTXARCHBGU-IBGZPJMESA-N 437.544 4.207 10 20 IICD Cc1ccc(CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]2CCCO2)c(Br)c1 799141780 BLXFINBRQMVRJQ-UTKZUKDTSA-N 448.357 4.070 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(-c4ncccn4)s3)cc2Cl)C1 800048423 AVIMPNJOKRVFGS-CQSZACIVSA-N 427.961 4.420 10 20 IICD CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 804148745 PUNPUPSANZUTLN-MWTRTKDXSA-N 427.932 4.095 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1 806854287 CJNMDMOKVLFVMO-UHFFFAOYSA-N 439.890 4.085 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(Nc4nc(C)cs4)cc3)CC2)cc1F 810488844 CPFVGKDKYDGHCL-UHFFFAOYSA-N 426.517 4.305 10 20 IICD COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c1 811822569 FFGOWKKLYPVJSY-UHFFFAOYSA-N 436.942 4.288 10 20 IICD COc1cc(N2CCN(C(=O)c3cc(Cl)c(F)cc3Cl)CC2)cc(OC)c1OC 816100830 VJJCPOHXWTVACI-UHFFFAOYSA-N 443.302 4.121 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(N(C)C)c2ccccc2n1 819519413 UXMNCXQHJHYFAG-UHFFFAOYSA-N 448.567 4.303 10 20 IICD C[C@H]1CN(S(=O)(=O)c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)C[C@H](C)O1 863991260 UBCCGIBYQZKGAV-PMACEKPBSA-N 443.613 4.087 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1ccc(Br)cc1 915267807 SYNAKFIAGKZSJM-INIZCTEOSA-N 442.361 4.005 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)N[C@@H](C)c1nncn1C 916580744 SOGOTFKRPHRRCL-KBXCAEBGSA-N 446.477 4.371 10 20 IICD Cc1nn(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)c(C)c1Cl 917707634 RQOPKOOLHNHZCM-UHFFFAOYSA-N 442.922 4.048 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1 918433501 BXLKMCBWGCRSMU-UHFFFAOYSA-N 431.964 4.476 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H](Oc1ccccc1)c1ccccc1 919307677 QNYPEXHOCJFEGD-RUZDIDTESA-N 432.520 4.075 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Br)cs3)cc2F)C[C@@H](C)O1 921280710 JVJTYOKPVZKVFE-VXGBXAGGSA-N 427.339 4.193 10 20 IICD Cc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1C 1317941856 LANDPFWYMHQSQA-UHFFFAOYSA-N 433.386 4.131 10 20 IICD O=c1[nH]c(/C(Cl)=C/c2ccc(N3CCOCC3)cc2)nc2sc3c(c12)CCCC3 16440165 ZTTLLGJGUOVXPW-LGMDPLHJSA-N 427.957 4.437 10 20 IICD C[C@@H](Nc1ccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1)c1ccccc1 301139727 GZDFLYAKTFPYKP-MRXNPFEDSA-N 444.578 4.410 10 20 IICD Cc1cccc([C@@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)N2CCOCC2)c1 726091864 BNZCQEKPOYDHHX-XMMPIXPASA-N 449.551 4.079 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1csc2ccccc12 730030959 USZJBMRJZPGZKT-SJLPKXTDSA-N 436.581 4.163 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1C(=O)NC(C)C 731281555 NBBWNBKOJLQWLP-UHFFFAOYSA-N 426.586 4.008 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)cc1F 731345905 LIWAIHDGJPZZMJ-HNNXBMFYSA-N 435.540 4.188 10 20 IICD CCCCNC(=O)Cc1noc(-c2cc(C)n(-c3ccccc3Br)c2C)n1 731786517 VRQIZSNCTRRUGQ-UHFFFAOYSA-N 431.334 4.365 10 20 IICD CC(C)(C)c1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n(C(C)(C)C)n1 732431453 MUJYFGNDTGZBMJ-UHFFFAOYSA-N 445.583 4.358 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 732470152 SXISLBDNAHSUEE-NRFANRHFSA-N 440.975 4.277 10 20 IICD COc1ccc(O)c(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)c1 734016167 DHVQKZYJSABNCR-UHFFFAOYSA-N 434.323 4.369 10 20 IICD C[C@H]1CN(c2ccc(CNc3nc(-c4ccccn4)nc4c3CCC4)cc2F)C[C@@H](C)O1 735074716 ZZAZBNHFJAJQTB-CALCHBBNSA-N 433.531 4.392 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C2CC2)cc1 737137661 QDMJOZQOQQXBOS-UHFFFAOYSA-N 446.429 4.042 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c4[C@@H]3C)cc2F)C[C@@H](C)O1 738461047 UFRKCQINWYNNCK-BBWFWOEESA-N 429.511 4.407 10 20 IICD C[C@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Cc1cccs1 741647038 NEKZPZHDCRPIAS-ZDUSSCGKSA-N 434.473 4.040 10 20 IICD CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801087 YNTOZSKGDNJEBO-ZDUSSCGKSA-N 426.895 4.197 10 20 IICD CCC[C@H](CCc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 743636243 GMQPIMSCECBRQS-OAQYLSRUSA-N 427.564 4.388 10 20 IICD CN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903017 AWOQXERBUUIQEV-MRXNPFEDSA-N 425.426 4.377 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 746018353 DGUOOAVDUXUPOP-GMAHTHKFSA-N 449.517 4.153 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 747327936 IDDUUDKWNZZNLI-HSZRJFAPSA-N 431.502 4.358 10 20 IICD C[C@H](N[C@@H](CO)Cc1ccccc1)c1cc(Br)cc(Br)c1O 756586836 VFUPJHFBVMOSSX-SMDDNHRTSA-N 429.152 4.171 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2ccccc2Cn2cncn2)nc1-c1ccccc1 758386985 BOXCXIJFYGTOCO-UHFFFAOYSA-N 439.566 4.374 10 20 IICD Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)ccc1C(=O)O 761235558 YTHAHIAMVIRKGQ-WJDWOHSUSA-N 446.575 4.375 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(COCc3ccccc3)no2)c1)c1cccs1 761894135 XUIDYEZDDLLECA-UHFFFAOYSA-N 443.506 4.021 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2F)C[C@@H](C)O1 764353657 ISJQWVOVMWCWJS-XQBPLPMBSA-N 440.563 4.225 10 20 IICD O=C(CCCOc1ccc2c(c1)CCCC2)NCc1ccc(N2CCC(CO)CC2)cc1 765596608 UMWMVISXIFWSSH-UHFFFAOYSA-N 436.596 4.250 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccn(-c2ccccc2Cl)n1 769008106 KISJEHOSBCCNKC-UHFFFAOYSA-N 427.961 4.401 10 20 IICD C[C@@H](Cc1cccc(O)c1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769431348 NZYINIKHNPIGHC-RVAQLADHSA-N 446.619 4.183 10 20 IICD CC1(C)CC[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 769725755 VXDUNRXWHSDVRJ-LJQANCHMSA-N 439.575 4.441 10 20 IICD CN(C)C(=O)Nc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(Cl)c1 772168802 XVTDRIIGAFKTAC-UHFFFAOYSA-N 434.887 4.396 10 20 IICD C[C@H](NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775257022 DJXUUSUCUOHCRN-AWEZNQCLSA-N 439.890 4.067 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775433295 YODRZUAJCGIPOJ-SFHVURJKSA-N 444.601 4.118 10 20 IICD CC[C@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Br)ccc1O 775496262 DYOMLGCXQTUGBR-FQEVSTJZSA-N 449.389 4.107 10 20 IICD O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 775654176 HYJYCHKSZXBURA-LLVKDONJSA-N 442.716 4.193 10 20 IICD COc1ccc([C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C(F)(F)F)cc1 775992612 UEWMIVAWYCUKQC-HXUWFJFHSA-N 437.462 4.275 10 20 IICD COCCN(Cc1nc2ccc(Br)cc2n1C)c1ccc(OC)c(OC)c1 776797461 GFJCTZFQKNMVKV-UHFFFAOYSA-N 434.334 4.006 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C1 777734322 BHRBOJOHLZZDHN-QGZVFWFLSA-N 441.988 4.096 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC3 779420056 YFYRNHVDRUESHU-WOJBJXKFSA-N 433.552 4.430 10 20 IICD COc1ccc(-n2cc(O)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)n2)cc1 779501591 WBJSDPWXBSIQCE-UHFFFAOYSA-N 446.507 4.088 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)c2C)cc1 787813917 VJNHSROLNIMTRE-INIZCTEOSA-N 430.512 4.082 10 20 IICD COCCOC1CCC(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 796195175 JQXMQVYDCYUQLJ-UHFFFAOYSA-N 431.504 4.181 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(I)cc1Cl 797612221 UQKQRLHNWRAMKC-SECBINFHSA-N 446.672 4.109 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC(C)(C)c2cccs2)cc1 806422831 GGTCBNHTMRWXTP-UHFFFAOYSA-N 439.581 4.030 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C1CC1 806846897 BOWABLIPQUDUOS-UHFFFAOYSA-N 437.588 4.004 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1)c1ccc(N(C)C)cc1 807680144 ZZFRSDKRRZRMEY-INIZCTEOSA-N 429.511 4.179 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 809705614 WGQZWXFNJSOTIR-ZDUSSCGKSA-N 447.089 4.197 10 20 IICD CC[C@@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C(F)(F)F)cc1O 810210789 DSGWEAWEODWMGQ-GOSISDBHSA-N 430.492 4.339 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)OCCCO3)c(C)n1-c1cccc(Br)c1 815156542 LYGNYUDYSDEFTQ-UHFFFAOYSA-N 447.373 4.268 10 20 IICD O=C(COc1ccc(Cl)c(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 857455984 KGPHCSLXQZKCAL-CYBMUJFWSA-N 428.838 4.245 10 20 IICD COc1ccc(N2CCCN(CC(=O)N(C)Cc3ccc4cc(OC)ccc4c3)CC2)cc1 917089675 CZTOEUNJPUDRGT-UHFFFAOYSA-N 447.579 4.028 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3cc(F)cc(F)c31)c2[N+](=O)[O-] 917694569 CYFSPLSNDNGCBN-UHFFFAOYSA-N 448.381 4.241 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c(C)nc(-c4ccco4)nc3SC)CC2)cc1 917822396 ZITYGKPDNYGILK-UHFFFAOYSA-N 438.553 4.128 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1 919656595 AIXMMELHVMSEBL-UHFFFAOYSA-N 435.572 4.499 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc2)C1 1317934960 XRLLUWSHPKAVOP-DENIHFKCSA-N 440.975 4.088 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3F)C2=O)cc1 1324321811 CNBFAEVNYIRGMF-FFCYNSPCSA-N 435.473 4.311 10 20 IICD CCS(=O)(=O)c1ccc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1 1324653856 LFOWEQOJFINLRN-UHFFFAOYSA-N 430.957 4.471 10 20 IICD CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c[nH]1 1788424277 QMDDAFXIRKPRPR-UHFFFAOYSA-N 448.523 4.180 10 20 IICD Cc1cc(Br)ccc1NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 302834591 VQNAZDFXZWPEIA-GOSISDBHSA-N 433.346 4.083 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)cc2F)CC1 303348226 XSKDCMBTMAIZJN-UHFFFAOYSA-N 442.538 4.436 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C(=O)N(C)c4ccccc4)C3)ccc21 409453210 NINFMRYIXJUEKI-NRFANRHFSA-N 433.552 4.030 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)C1 436025926 IOEAAICQOUKZAX-OAQYLSRUSA-N 441.579 4.231 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccn(-c4ccc(F)cc4)n3)ccc21 463940613 QHOBPSCQVMOPFC-UHFFFAOYSA-N 434.515 4.202 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 726604022 USOMRGBLVISODM-UHFFFAOYSA-N 436.524 4.114 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 728835480 BBOGYJVELGUYAR-UHFFFAOYSA-N 427.426 4.450 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 729045846 ZHLKESAKQDTQFM-INIZCTEOSA-N 426.513 4.044 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cc(F)ccc1F 729438661 NWJFIZMCZIQLSQ-YBEGLDIGSA-N 438.546 4.324 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 730119785 PWGOMKHHRHXBGW-ROUUACIJSA-N 437.519 4.255 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(COC(C)C)c3)cc2F)CC1 730133346 OWDLEYITFYTHOA-UHFFFAOYSA-N 428.552 4.214 10 20 IICD COCCN(Cc1ccc(F)cc1Cl)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 730671153 IMPFFVXWQQTMRJ-UHFFFAOYSA-N 449.954 4.315 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1 731687666 OFKSBFRPGIKRRB-LPHOPBHVSA-N 431.964 4.469 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(=O)COC)cc3)c2C)cc1 733306868 GBYJWCXEUMEIRA-UHFFFAOYSA-N 436.508 4.339 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(-c4c(F)cccc4F)o3)cc2)C1 734506305 CVAFTAVNPTWRKG-KRWDZBQOSA-N 425.479 4.216 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(-n4cccn4)n3)c2C)c1 736933931 IYYPSRIPWMPLRY-UHFFFAOYSA-N 446.532 4.436 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc21 737379166 FFNOCWSAIHLZPC-UHFFFAOYSA-N 445.541 4.358 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccc(C=O)cc1Br 742498949 UQCLNLYTXHXISE-UHFFFAOYSA-N 445.357 4.289 10 20 IICD CCOC(=O)Cc1csc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 742734206 USUCHDRCZFSNTL-UHFFFAOYSA-N 430.574 4.339 10 20 IICD Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744473737 KCKSGXVUPRHHSS-AWEZNQCLSA-N 431.419 4.094 10 20 IICD CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406326 OJNDXNLMEOVDJX-FYGXRCCRSA-N 426.532 4.294 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)oc2ccccc12 750618499 OKJPUFIXUULUOJ-HNNXBMFYSA-N 428.435 4.102 10 20 IICD CO[C@@H](C)c1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cs1 753055776 JLNZROPFZDEHFM-INIZCTEOSA-N 428.558 4.422 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1F 753738407 QKNGCUSFMQPAMO-UHFFFAOYSA-N 439.531 4.316 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H]1C[C@H](C)c3c(F)ccc(O)c31)CC2 756707398 ORQXQIFLLAILIU-HNAYVOBHSA-N 442.531 4.052 10 20 IICD CC(C)C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1O)C(=O)Nc1nccs1 756782071 MIVRPJJDXZENIU-IINYFYTJSA-N 430.343 4.454 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3NCc3ccccc3)c2)CC1 764327539 ZPCIEFMMRSOEEE-UHFFFAOYSA-N 428.536 4.253 10 20 IICD COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCc1ccncc1 768207947 KRRXWUNKHNHIHK-UHFFFAOYSA-N 433.552 4.138 10 20 IICD COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 772283049 QRMJAFPYEKEJHM-KRWDZBQOSA-N 436.512 4.478 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1cnoc1C1CC1 773480151 LPNZLLNKDMIWCO-OQLLNIDSSA-N 434.564 4.338 10 20 IICD Cc1cccc(-c2noc(SCC(=O)NCc3ccc(N4CCSCC4)cc3)n2)c1 777796969 JNXRARVNXNLFBB-UHFFFAOYSA-N 440.594 4.007 10 20 IICD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3SC(C)C)CC2)cc1 778328008 IXWFVGPCQKHMHK-SEYXRHQNSA-N 439.581 4.039 10 20 IICD Cc1ccc(C)c([C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc2)c1 779058753 BIQNJZPDZKDINI-SANMLTNESA-N 434.605 4.417 10 20 IICD O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 780959292 OUOFGDPDBWKJIA-IBGZPJMESA-N 428.488 4.208 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)nn1[C@@H](C)C1CC1 783481782 DXHSIETYPIEXFQ-ROUUACIJSA-N 431.540 4.478 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)n2)cc1 783945588 KNJOZXAXWRGSNM-UHFFFAOYSA-N 447.586 4.039 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 784025656 FJIWXDUOOGQRLR-UHFFFAOYSA-N 432.520 4.391 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ccc(Br)s3)C3CC3)cc2)C1 784040498 GBOXDEMLWHVOKX-OXQOHEQNSA-N 448.430 4.453 10 20 IICD COc1ccc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1NC(N)=O 787701687 XMBXNHBBZWLOKZ-UHFFFAOYSA-N 426.904 4.428 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 788928723 CMLDUUWKSJGXRL-QFIPXVFZSA-N 425.960 4.214 10 20 IICD CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)ccc2s1 795612466 VRTIVZPAZSLNRL-UHFFFAOYSA-N 445.547 4.397 10 20 IICD Cc1nn(C)c2cc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc12 812992352 CRXUUYISVUYOSR-INIZCTEOSA-N 429.471 4.274 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cc1 814288414 ATXMDTWJGAYPPP-RBFBNPFJSA-N 427.547 4.429 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2ccccc2Cl)c1 917482331 IHIBDABEXJRUKC-HSZRJFAPSA-N 428.960 4.418 10 20 IICD COc1ccc(N2CCCN(Cc3nc(-c4cc(Br)cs4)no3)CC2)cc1 917973446 RWZWQQKWVIHALF-UHFFFAOYSA-N 449.374 4.282 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 918201913 WFZZZZPGEYPGKE-UHFFFAOYSA-N 443.975 4.486 10 20 IICD O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294243 NOAUJROXVBLSNM-UHFFFAOYSA-N 448.475 4.194 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 1317893735 QBXOSVBXQXXCNW-UHFFFAOYSA-N 436.899 4.398 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cscn2)C3)cc1 1800513776 UWPGKIUBMOBTFO-QYEXWFEISA-N 448.592 4.045 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739456 JCRCHTKWERYFAX-XFQXTVEOSA-N 448.991 4.421 10 20 IICD Cc1ccc(C)c(OCc2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)o2)c1 27479379 POBKWTSDCLVAAA-UHFFFAOYSA-N 440.569 4.082 10 20 IICD C[C@@H](NC(=O)C1(c2cccc(Br)c2)CC1)c1ccc(N2CCOCC2)cc1 109179739 BUVZNWMGZFSXKJ-MRXNPFEDSA-N 429.358 4.195 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1N1CCCS1(=O)=O 303836059 MGWFIMCOGIEQHF-UHFFFAOYSA-N 448.548 4.066 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC1=S 727176467 KYDSJHGXCBFNBU-IZILLXMLSA-N 434.627 4.033 10 20 IICD CC[C@@H](C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 727837852 XQPVPAPOVCNFDS-ZHRRBRCNSA-N 426.517 4.044 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2Br)cc1 729351529 COIRQNCRZGJPSU-HXUWFJFHSA-N 431.374 4.265 10 20 IICD Cc1nc(Cc2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)cs1 731793491 JATDLTQGOXRSCZ-ZROIWOOFSA-N 448.620 4.321 10 20 IICD O=C(c1cnn(Cc2ccccc2Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 731857292 ZLVBFHQSTPPSQI-HXUWFJFHSA-N 425.916 4.112 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C/C2CCOCC2)c(C)n1-c1ccc(OC(F)F)cc1 732689149 IOPHGLKWJUGJFA-FPYGCLRLSA-N 433.451 4.404 10 20 IICD CCCC[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)Nc1cc(C)on1 732919343 CDVSQMGGRSZCQJ-IBGZPJMESA-N 436.503 4.340 10 20 IICD C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(NC(=O)c2ccncc2)cc1 733849090 UAKFRUUTDDDFIZ-SFHVURJKSA-N 443.551 4.277 10 20 IICD CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C(C)C 735173908 FQHFYICMVSEMJR-QHCPKHFHSA-N 439.556 4.362 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc(N4CCCCC4)n3)c2C)cc1 740316890 UQGZTVNKKQDXAR-UHFFFAOYSA-N 432.524 4.223 10 20 IICD CC(C)OCCCN(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 740788437 ZQNBIBLSSQUUDY-DTQAZKPQSA-N 426.629 4.003 10 20 IICD COc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(F)F 742801301 PCPGQRHSZSEFCC-AWEZNQCLSA-N 442.409 4.297 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 743150919 WTZOOZUUERIEKQ-UHFFFAOYSA-N 432.318 4.118 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3c[nH]c4cc(Cl)ccc34)CC2)cc1 745291380 KYAXHNJDEPPUOR-UHFFFAOYSA-N 426.948 4.294 10 20 IICD COC(=O)c1ccc(OC)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 752712901 FXQSTYITWAJUGY-UHFFFAOYSA-N 437.496 4.375 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1 752908751 DUPZMESYQMEFQI-YKSBVNFPSA-N 449.551 4.123 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)c(=O)oc2ccc(Br)cc12 755162189 HEIOPRLZKOKTLW-UHFFFAOYSA-N 441.325 4.394 10 20 IICD C[C@@H](NC[C@H](O)Cc1ccccc1)c1cc(Br)cc(Br)c1O 756547475 DJIABJGSHLVNCG-BXUZGUMPSA-N 429.152 4.171 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)CC2)cc1F 757909206 QARIZKDIXBAOAZ-UHFFFAOYSA-N 447.514 4.104 10 20 IICD C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763428880 ZQFYKZQWFFXMFN-QZTJIDSGSA-N 431.577 4.151 10 20 IICD CCN(Cc1ccccc1C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 763643592 MGKPWCLPAVHIKX-UHFFFAOYSA-N 430.551 4.225 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 764997914 AYGWPQGIIJYCAY-UHFFFAOYSA-N 434.496 4.042 10 20 IICD COc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1Br 765280319 AXSGQKISQFBHTK-UHFFFAOYSA-N 430.096 4.248 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1cccc(Cl)c1 765288237 XIKOYLKHYUSQRZ-QGZVFWFLSA-N 439.991 4.289 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H](C)Cc3ccc(Br)cc3)CC2)cc1 765647057 BMSWDPDPFQKQKJ-KRWDZBQOSA-N 431.374 4.375 10 20 IICD C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1cccc(Br)c1O 765727475 ASSBKFWVIJJJAN-LLVKDONJSA-N 427.136 4.412 10 20 IICD C[C@H](NCC1(N[C@@H](C)c2ccccc2)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 766096775 HXDIOFBOSXRCGQ-SFTDATJTSA-N 441.591 4.213 10 20 IICD Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCc1ccc(O)c(O)c1 768899588 JKQCVMBSUVFCOK-UHFFFAOYSA-N 448.903 4.485 10 20 IICD COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc2)cc1 775409850 HFRGFUYPVZFVCP-MHECFPHRSA-N 431.536 4.110 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O 779010498 DBLUPUKRTGPZEM-KBPBESRZSA-N 441.391 4.125 10 20 IICD C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1(C)C 780808476 KOOPEFHMFSDDBG-AHRSYUTCSA-N 445.604 4.076 10 20 IICD CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 784496733 AUMYQXYSNATPDA-VWLOTQADSA-N 425.573 4.037 10 20 IICD CCN(CC)c1ccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1F 786578910 LKSCDMAGVCFOKV-UHFFFAOYSA-N 431.503 4.255 10 20 IICD O=C(NC1CCC(c2ccccc2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 787321640 YBKLJGQDNTZYOC-UHFFFAOYSA-N 432.520 4.357 10 20 IICD Cc1ccnc(-n2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 788300673 ISGAWJZVLVYFHT-UHFFFAOYSA-N 430.512 4.469 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(C)cc1C 788338364 UWJSRDHALOCJKB-SFHVURJKSA-N 445.519 4.405 10 20 IICD COC(=O)c1csc(-c2cccc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)n1 790620906 HZCLGGPJMUFAQP-UHFFFAOYSA-N 438.553 4.004 10 20 IICD CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 797466092 DEXDWHTUVQIMCS-XLIONFOSSA-N 447.530 4.410 10 20 IICD Cc1cc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C)c(C)n1-c1ccccc1 800742348 HXBWOXIOHVHFPF-FQEVSTJZSA-N 448.615 4.268 10 20 IICD CC(C)c1noc(Cc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)n1 801943303 QAAVHIVXIGTVFU-UHFFFAOYSA-N 449.555 4.284 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 802083403 ACCCNMKEJYCOLR-IBGZPJMESA-N 442.579 4.356 10 20 IICD O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804542980 OZVCKVSXZABRLH-ZJSXRUAMSA-N 446.547 4.432 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)c2C)cc1 804898502 ITSVDXBMYXQRBU-UHFFFAOYSA-N 435.455 4.148 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CCCN(Cc2cccs2)C1 805030185 ZUNVNXZKBYCBRM-CYBMUJFWSA-N 428.385 4.472 10 20 IICD COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 805162706 JNLVJLSLPUMGGR-SNVBAGLBSA-N 437.283 4.318 10 20 IICD CC(C)(C)CCOc1cnccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 807610727 GZWFAYQPSRLRND-OAQYLSRUSA-N 441.572 4.493 10 20 IICD Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCCO2)c1 812438180 KLMRIAOXUACYFK-OAQYLSRUSA-N 436.556 4.385 10 20 IICD C[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)Nc1ncccn1 814771940 JQUYOGBEJIOGQH-PDICVPPASA-N 426.548 4.422 10 20 IICD CN(C)c1cc(Br)cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 815860736 YHGWQVBKJPCGQL-LJQANCHMSA-N 433.346 4.042 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 918307320 SRIHGEKOJVMMRG-UHFFFAOYSA-N 447.583 4.108 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2CN2CCOCC2)cc1 919653218 OXKLIFPUOILDBQ-UHFFFAOYSA-N 448.567 4.412 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 919767226 JGADDURTPUNSHZ-UHFFFAOYSA-N 434.923 4.338 10 20 IICD C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCC(CO)CC5)cc4)cc3c2C1 919968868 OFSXZMNDOOXVFE-GOSISDBHSA-N 431.580 4.431 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3nc(C(C)(C)C)cs3)cc2F)CC1 1251686173 CMFQEMRSVBOJPO-MRXNPFEDSA-N 447.624 4.282 10 20 IICD COc1cc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OCc1ccccc1 1327192582 XJMQJHMQVCNOTC-UHFFFAOYSA-N 449.570 4.455 10 20 IICD COc1ccccc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844870278 XBVSJYSPXVBMKM-UHFFFAOYSA-N 443.547 4.234 10 20 IICD Cc1ccc(-n2nc(C)c(NC(=O)CN(Cc3ccccc3O)C[C@@H]3CCCO3)c2C)cc1 96971113 IJMUMLOWXIFYPL-QHCPKHFHSA-N 448.567 4.123 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 301061464 AYISNFYFODQDJV-UHFFFAOYSA-N 445.350 4.012 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CN3CCOCC3)c3ccc(C)cc3)ccc21 482600823 DMBVHTCLQVZYMZ-VWLOTQADSA-N 449.595 4.016 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)n1 726293372 UJJSHOCTMAOAFW-UHFFFAOYSA-N 444.557 4.063 10 20 IICD O=C(Nc1cccc(Cn2cccn2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726697887 GZVZSMOAOOGYRU-UHFFFAOYSA-N 441.482 4.323 10 20 IICD CN(C(=O)c1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1)c1ccccc1 729322189 DPVFGPOPIYIZRQ-UHFFFAOYSA-N 445.588 4.446 10 20 IICD CC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc(C)cs1 729660497 LGDVDHKAHUAMFG-MRXNPFEDSA-N 435.461 4.016 10 20 IICD O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731858421 KZPYIDAJFNDNFI-XUVXKRRUSA-N 430.342 4.466 10 20 IICD Cc1cccc(COc2c(C)cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2C)c1 734484460 XLFSONHYIGOXJR-VCHYOVAHSA-N 427.547 4.477 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)CC1 739768179 MVBJPBUHJWIDNT-UHFFFAOYSA-N 436.737 4.057 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 740490483 DQAXXFGCHGVYHC-UHFFFAOYSA-N 436.600 4.366 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnc(OCC(F)(F)F)c1 741564025 QRTQWQWPWMOMLG-UHFFFAOYSA-N 445.388 4.023 10 20 IICD CCCCC[C@@H](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 742572833 HVYIULQWKRIDDN-LJQANCHMSA-N 427.568 4.165 10 20 IICD Cc1cccc(F)c1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 742724135 TYUKBUSKPOKYAK-BOPFTXTBSA-N 434.583 4.493 10 20 IICD CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 742800478 SHPBNBNMWBFYJP-INIZCTEOSA-N 433.455 4.259 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Oc2cnccn2)c1 742800772 MDAYRGVIAMAXSG-QGZVFWFLSA-N 440.450 4.269 10 20 IICD Cc1cccc(-n2ncc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2C)c1 742800835 UPBFVAKOWYAZSS-GOSISDBHSA-N 440.494 4.489 10 20 IICD C[C@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 742993334 RYHGQOMEWMUMKC-HNNXBMFYSA-N 439.503 4.147 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 743905063 AHQVQKDRBDOCGF-CYBMUJFWSA-N 441.871 4.057 10 20 IICD CCCO[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745905524 ORUIOGJXPLNYKX-MJGOQNOKSA-N 425.520 4.248 10 20 IICD COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 747858725 XWDXQOIJJBYDHE-BBWFWOEESA-N 429.536 4.257 10 20 IICD CCOc1ccc(-c2nc(CN(CC(=O)OC)Cc3cc(Cl)ccc3O)co2)cc1 749296503 FLFMBORZIPVSKK-UHFFFAOYSA-N 430.888 4.275 10 20 IICD CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 749554634 TYDIECVPHAVJJA-UHFFFAOYSA-N 438.641 4.046 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N(C3CC3)[C@H]3CCCc4ccccc43)cc2)C1 751082004 NSLYEWULQJINGC-BWKNWUBXSA-N 446.595 4.140 10 20 IICD COc1cc(C(C)=O)ccc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754552032 ODNDYJWHYGVSEB-UHFFFAOYSA-N 445.496 4.404 10 20 IICD CCc1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cnn1CCC(C)C 756190518 UJALEAQAEGBHSZ-UHFFFAOYSA-N 425.577 4.378 10 20 IICD O=C(NCCCSc1nccs1)Nc1cnn(-c2ccccc2Br)c1 756502982 VHLLSEZUXNGSKZ-UHFFFAOYSA-N 438.376 4.395 10 20 IICD C[C@H](NC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 758407250 LIADUZBHEVYQSA-NTUVXCKYSA-N 441.547 4.285 10 20 IICD C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)c(F)cc1O 760018552 PSQIDRBKYXHZOP-NVXWUHKLSA-N 437.353 4.236 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cccc1C(F)(F)F 761655659 JPCKQRFTHZJLSV-INIZCTEOSA-N 434.462 4.037 10 20 IICD CN1CC[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 762622252 CSBPUGVHGRUXNO-JPYJTQIMSA-N 435.946 4.237 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(F)c(C)cc3F)n2)c(F)c1 762628663 LPMWWZLYJMYHJV-UHFFFAOYSA-N 441.456 4.295 10 20 IICD C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 764629367 NNPYLUANDLYSHE-INIZCTEOSA-N 449.364 4.262 10 20 IICD C[C@@H](N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764816088 SRDCLCRSQUVOOE-ZHRRBRCNSA-N 428.939 4.489 10 20 IICD C[C@@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 765687436 YUVSXLAROSPXFL-LJQANCHMSA-N 445.604 4.128 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 765796944 ACXJGZIGCFYEMS-AZGAKELHSA-N 430.596 4.259 10 20 IICD C[C@H](N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 766062985 ZSZKWJXOAUHVDW-WMZOPIPTSA-N 435.490 4.193 10 20 IICD Cc1cc(C(=O)CN2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc(Br)cc1 767764344 BHAMXMQDVZOYGS-IBGZPJMESA-N 442.361 4.005 10 20 IICD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 768023703 BCKKFURPJJWBFM-UHFFFAOYSA-N 447.583 4.141 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C1CC1 768420846 IJGCPHJPBQZGKF-QGZVFWFLSA-N 432.515 4.417 10 20 IICD C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]1c1ccccc1 769922672 KFMFJIZVDHEFEC-JLTOFOAXSA-N 428.535 4.088 10 20 IICD CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 770366759 KAYZFQXSUCXWNT-UHFFFAOYSA-N 446.592 4.180 10 20 IICD COc1cc(Br)cc(CN[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)c1O 770740763 XUPDPERBIPBYRR-INIZCTEOSA-N 438.709 4.387 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1C(=O)OC(C)(C)C 772113121 PNODXWAIXHVWNN-UHFFFAOYSA-N 430.888 4.278 10 20 IICD Cc1cc(-c2csc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)c(C)n1-c1ccc(F)cc1 777521029 KTBHMJRSWFLDBR-UHFFFAOYSA-N 440.460 4.251 10 20 IICD O=C(Nc1cccc2ccc(O)cc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O 782742414 NOIONGKHVPCQLW-UHFFFAOYSA-N 440.502 4.366 10 20 IICD O=C(Nc1ccc(Cl)cc1-n1cccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 788311936 QMVALWNCJDRPHH-SFHVURJKSA-N 426.904 4.444 10 20 IICD CO[C@@H]1CCOc2c(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cccc21 790957434 JHXCPANFPCGGEL-GAJHUEQPSA-N 445.519 4.472 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccn3)cc2Cl)C1 800571085 FBUQTVQFJZRYGT-JPYJTQIMSA-N 426.992 4.252 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 804682100 DOSAIQWDXJHASG-DEOSSOPVSA-N 437.559 4.432 10 20 IICD C[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(N2CCOCC2)cc1 804989752 QQXTXBSGOWUERO-ZDUSSCGKSA-N 443.416 4.381 10 20 IICD Cc1c([C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)C)oc2ccccc12 805893276 QSZNJGJXFASAJM-HSZRJFAPSA-N 431.536 4.247 10 20 IICD CCOCCCNC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806213589 UTLNEHRGBZYRLY-UHFFFAOYSA-N 440.327 4.177 10 20 IICD CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 808013147 OILHHRSHBXRQIY-UHFFFAOYSA-N 430.485 4.428 10 20 IICD C[C@H](NCc1ccncc1OCCCN(C)C)c1cc(Br)cc(Cl)c1O 808718433 OIKUFZPXZITIRR-ZDUSSCGKSA-N 442.785 4.384 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)C(=O)OC2 809351038 GKSFQIDTSGFCDC-YBEGLDIGSA-N 444.559 4.039 10 20 IICD C[S@@](=O)Cc1ccc(CNCc2cc(Br)cc(Br)c2O)cc1 809719193 WTEHLSWAVKFGLW-JOCHJYFZSA-N 447.192 4.086 10 20 IICD O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NC(=O)NC1CCCC1 814772250 RJDNJILHMIPKMR-SXGWCWSVSA-N 445.591 4.373 10 20 IICD CN(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccccc1 864049532 IIVXWSUTBLQMHT-LFIBNONCSA-N 447.379 4.313 10 20 IICD COc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCCCC2)cc1 914846827 VKSOKMSNPCYINO-XMMPIXPASA-N 432.568 4.455 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1SC(F)(F)F 914946731 WCRJTBPGNILSDI-UHFFFAOYSA-N 426.460 4.180 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-n2cncn2)cc1 915729867 YSUVTQBYDXKEMQ-QGZVFWFLSA-N 439.479 4.499 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F 916371929 PBVVFENDRZTWSQ-UHFFFAOYSA-N 425.426 4.023 10 20 IICD C[C@H]1CN(c2ccc(CNc3cc(C(=O)NC4CC4)c4ccccc4n3)cc2F)C[C@@H](C)O1 917087350 ZYQCASGZQBTTDZ-CALCHBBNSA-N 448.542 4.492 10 20 IICD CCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918141640 XESVXOCUWXNZCD-HDICACEKSA-N 442.531 4.117 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2cccnc2)cc1 919790905 RYIZXJGHVJBNRY-FQEVSTJZSA-N 446.551 4.058 10 20 IICD Fc1cc(CNCc2ccc(-c3ccccc3)o2)ccc1N1CCN(c2ncccn2)CC1 920179799 BQXGVCFXYIBRSW-UHFFFAOYSA-N 443.526 4.492 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(-n4cnc5ccccc54)cc3)SC2=S)CC1 920471486 BRZVIUKXEXWDAU-KGENOOAVSA-N 434.590 4.321 10 20 IICD Cc1ncsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513222 CUSFSORKLHPCQF-QQFNCUIESA-N 448.592 4.425 10 20 IICD CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 303249974 ANEHTAGXEFBORT-FQEVSTJZSA-N 430.593 4.248 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H](Cc1ccccc1)C1CC1 303937006 YBSTVJLQKLLTSQ-QFIPXVFZSA-N 447.501 4.363 10 20 IICD Cc1cc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1 725724117 HZPRQASEVUUGTB-UHFFFAOYSA-N 446.956 4.423 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCCO[C@H](C)C2)sc(C)c1-c1ccccc1 727438182 YVVBTZSXQHRRQA-MRXNPFEDSA-N 430.570 4.340 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1 729849266 BDCLUQNSMVTADG-UHFFFAOYSA-N 443.416 4.110 10 20 IICD COc1cccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c1O 730283296 VYBAHRDOGLBQDI-UHFFFAOYSA-N 432.307 4.312 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCCOC)cc3)SC2=S)cc1 730592959 BWPREWZDLMGMNA-RGEXLXHISA-N 443.546 4.294 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3C(=O)OCc3ccccc3)ccc21 731582751 ATITWVVZFKAPGS-XMMPIXPASA-N 434.536 4.253 10 20 IICD O=S1(=O)CCN(c2ccc(CNCc3ccc(-c4ccccc4Cl)o3)cc2)CC1 733330604 DPAOHJGMDPIBGZ-UHFFFAOYSA-N 430.957 4.125 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1F 734531285 ZVUDQOLZSNGZAP-UHFFFAOYSA-N 431.899 4.375 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)sc2Br)c1 735115449 HGDXGFUUIQUPNN-ZETCQYMHSA-N 435.137 4.478 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742494866 CXXCRGHACHQAOO-NRFANRHFSA-N 436.383 4.091 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 742553816 KESWPOQXWJUZRO-UHFFFAOYSA-N 425.432 4.097 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1C[C@@H]1c1c(F)cccc1F 743616007 LMDYUOWWXHAXLD-ACWOFJMJSA-N 437.437 4.390 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 743719379 ZRUPBZMYAWTUOC-MRXNPFEDSA-N 433.335 4.247 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cnn(-c2ccccc2)c1 745418040 OPIWHDPMEPQLJY-UHFFFAOYSA-N 443.345 4.115 10 20 IICD C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1cccc(F)c1 746313771 NFTJUXFTTUVSFQ-QAPCUYQASA-N 434.458 4.421 10 20 IICD CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 748620500 YEHUYJWWIBHBAE-DHIUTWEWSA-N 447.595 4.056 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1CCC(C)C 749772987 VAZPIIUEBFSHRI-UHFFFAOYSA-N 438.494 4.023 10 20 IICD C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 755021909 JCNZRAMKYMOUEA-CYBMUJFWSA-N 449.305 4.077 10 20 IICD COc1ccccc1[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)c1nccn1C 756394357 VZSBNVXVZMUMIE-BLVKFPJESA-N 434.309 4.476 10 20 IICD C[C@H](NCc1ccc(OCCCN(C)C)cc1)c1cc(Br)cc(F)c1O 756532733 GSAVNGOFFFWLKX-AWEZNQCLSA-N 425.342 4.475 10 20 IICD C[C@@H]1C[C@@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c2c(O)ccc(F)c21 756606756 BCWCSZSSSVDBSN-RHSMWYFYSA-N 438.590 4.148 10 20 IICD Cc1ccsc1-c1nnc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)o1 757983166 QIVPYBWUOBZSGT-UHFFFAOYSA-N 425.558 4.167 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3cnn(C)c3C)c2C)c1 758602227 CVDYUMRUQFXORI-UHFFFAOYSA-N 425.554 4.217 10 20 IICD Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c(OC2CCCC2)c1 762260179 CFGKALFWXDDUCE-UHFFFAOYSA-N 429.498 4.111 10 20 IICD CC(=O)CCc1ccc(OCc2cccc(C(=O)NCCc3ccc(O)c(O)c3)c2)cc1 762260860 AJVKXGVPYAMHCQ-UHFFFAOYSA-N 433.504 4.171 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cnn(CC(F)(F)F)c2)cc1 764374391 LQVOUDMKLDMSAR-UHFFFAOYSA-N 435.450 4.016 10 20 IICD C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 764573249 NUCNENWTEZNGDU-HOYKHHGWSA-N 447.982 4.040 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCN(CCc4ccc(F)cc4)CC3)cc2F)C[C@H](C)O1 765128435 VMBODMPXGQZVOJ-PMACEKPBSA-N 443.582 4.375 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 765679330 RMXKQRLXFUZXAQ-BSRJHKFKSA-N 426.536 4.189 10 20 IICD CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(Br)cc(OC)c1O 768169218 SXJQIZQAJQNIAO-UHFFFAOYSA-N 437.334 4.023 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 772593398 KGTJWIRVXPOOSM-UHFFFAOYSA-N 446.338 4.337 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1 774638777 VWVVZXBRIWABJZ-UHFFFAOYSA-N 442.987 4.460 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)c2)CC1 777688080 VRJMBWCOHILYNR-UHFFFAOYSA-N 425.838 4.313 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4c(F)cccc43)cc2F)C[C@@H](C)O1 778621378 VRWCUICNIMOXOD-VWKPWSFCSA-N 445.510 4.292 10 20 IICD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 779475444 NAONSBLFWKOXPS-WOKXFPNESA-N 431.488 4.303 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)c1 780960851 UIDJFLAQCYYMRD-XMMPIXPASA-N 445.515 4.453 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ncc(Br)s1 782351923 LUJOAXHWGURHLM-UHFFFAOYSA-N 436.297 4.051 10 20 IICD Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cnn1-c1ccccc1 782896181 LIXWQXZPOWZXDP-UHFFFAOYSA-N 432.524 4.186 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 784024878 XHFNOCVKKFRUAO-UHFFFAOYSA-N 428.492 4.084 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3-c3ccc(C)cc3)cc2)CC1 786658737 DUFCOMUFJWYJPY-UHFFFAOYSA-N 433.577 4.322 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(CCCCC(F)(F)F)C3=O)cc2)CC1 794861367 HPBDYPKTVQENRR-SAPNQHFASA-N 443.560 4.372 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CC(C)(C)O[C@@]4(C[C@@H]5CC[C@H]4C5)C3)CC2)cc1 799571475 VJLNAXDSUBKJDL-WYEJZRMESA-N 427.589 4.043 10 20 IICD CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806432679 PVOXVHCCCLRXMY-LEWJYISDSA-N 434.367 4.393 10 20 IICD Oc1c(Br)cc(Br)cc1CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 809782392 RZORCRQZUCODAD-QQJLWGBUSA-N 431.168 4.091 10 20 IICD CSc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 810134119 QEGCXIIDWVUHJF-UHFFFAOYSA-N 429.590 4.016 10 20 IICD COCc1nc(CN[C@H](C)c2cc(Br)cc(Br)c2O)cs1 810253634 ZIBAOFVMNOUYGT-MRVPVSSYSA-N 436.169 4.371 10 20 IICD Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812393995 MOUWNYQRTMWTSO-UYAOXDASSA-N 437.613 4.331 10 20 IICD C[C@H](NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(Br)cc1 917074122 PWRIJFLTYRALJQ-INIZCTEOSA-N 430.390 4.357 10 20 IICD Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccc(N4CCOCC4)c(F)c3)c12 917087151 SNFHJTPKWQCUGZ-UHFFFAOYSA-N 435.503 4.277 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3-c3cccs3)cc2)C1 918030255 KOGIYWJRMFVXFN-GOSISDBHSA-N 434.565 4.439 10 20 IICD C[C@H](Cc1ccsc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918782631 VGDUZSHGQFAQPS-CQSZACIVSA-N 427.492 4.034 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1CN1CCc2ccccc21 919774180 ICPXBLUQMLEZFJ-UHFFFAOYSA-N 442.563 4.408 10 20 IICD CN1CCN(c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2F)CC1 1317895765 YYNNSGUJXBZHOM-PGMHBOJBSA-N 441.597 4.021 10 20 IICD CC(C)c1ccc(C2(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CCC2)cc1 1318080446 IXZMPCUYUQOKQN-QFIPXVFZSA-N 433.596 4.250 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1 1319496937 WSAGEKGLMLTZGC-UHFFFAOYSA-N 425.529 4.239 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CN(C(C)=O)C2 1323581905 USEHEPVQEMHXTN-UHFFFAOYSA-N 432.318 4.071 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 303427087 AYLDYGXFOZJGMB-KRWDZBQOSA-N 435.490 4.315 10 20 IICD COc1cc([C@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1OC 725845676 FPOJYFGILRLVHR-INIZCTEOSA-N 429.517 4.462 10 20 IICD CCN1CCN(c2ccc(CNCc3ccc(OC)c(OCC(C)C)c3)cc2F)CC1 730108580 QUWHKDRKKNYECR-UHFFFAOYSA-N 429.580 4.301 10 20 IICD O=C(CCc1nc2cc(Cl)ccc2s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 730590555 QFKOXXMSLCNVFX-UHFFFAOYSA-N 447.963 4.299 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@H]3c3ccco3)cc2F)C[C@@H](C)O1 736622677 ANIPPFLZWISCDL-PWHSHALESA-N 443.563 4.266 10 20 IICD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cccc(N2CCCCCC2)c1 741572713 AXOXBZVDAJXURS-UHFFFAOYSA-N 427.570 4.168 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 742805103 GNYQTVOMSFNRBL-ZDUSSCGKSA-N 430.411 4.076 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)Nc3ccc4c(c3)OCCO4)C2)cc1 743016060 RUFHNOJQFUMUNM-OAHLLOKOSA-N 435.496 4.015 10 20 IICD Cc1sc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nc1-c1cccc([N+](=O)[O-])c1 743046493 LNOAHPLVQBIOHS-UHFFFAOYSA-N 429.401 4.245 10 20 IICD Cc1cccc(O[C@@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 743554863 MUIUCJUJASBFFG-GBESFXJTSA-N 429.536 4.014 10 20 IICD CN(c1ccc(CNC(=O)N2CCC(OCCN3CCCC3)CC2)cc1)C1CCCCC1 745783811 DOYZBIPXRRCSDO-UHFFFAOYSA-N 442.648 4.242 10 20 IICD Fc1cc(CN[C@H]2CCCCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1 747816178 USAXLLHAKHMUCO-DEOSSOPVSA-N 431.559 4.500 10 20 IICD Cc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1Br 748585222 NIQMDGGCQDYOKH-GOSISDBHSA-N 447.373 4.267 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3C)SC2=S)c1 751292639 WVZXDWCNOBCUHM-VXLYETTFSA-N 431.535 4.435 10 20 IICD C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756382874 FROHNLSVNFXECC-PSLIRLAXSA-N 433.115 4.441 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(Oc3c(OC)cccc3OC)nc2)c1 756434220 UWYGLZSJUQDMSM-OAHLLOKOSA-N 438.480 4.234 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(F)ccc1Br 757814260 FSTDCBOXEWAQJM-UHFFFAOYSA-N 448.336 4.176 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)n2)s1 759158941 KHLPLUORFNDBRC-UHFFFAOYSA-N 425.513 4.152 10 20 IICD O=C(c1ccc(I)c(O)c1)N(Cc1ccco1)Cc1ccccc1O 760911105 LJIIEYDYJCJGEF-UHFFFAOYSA-N 449.244 4.138 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 762935324 DPGSORLCYZOOJD-INIZCTEOSA-N 427.595 4.272 10 20 IICD Cc1nn(-c2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)c(C)c1Br 763278425 AWVCZVVJRAZNNV-LBPRGKRZSA-N 444.329 4.024 10 20 IICD O=C(NCc1cc(Br)ccc1F)NCc1cccc(Br)c1O 764762440 RNJAWXKDBATPOV-UHFFFAOYSA-N 432.087 4.056 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cc(F)ccc1OC[C@H]1CCCO1 765282065 SFJZZSQEZGOLKA-CQSZACIVSA-N 439.281 4.173 10 20 IICD Cc1nc(-c2cc([C@@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cs2)cs1 765977878 KADFPCJQHLMDLE-OAHLLOKOSA-N 447.651 4.266 10 20 IICD CCOc1cc(CN(Cc2ccccc2O)C2CCCC2)nc2nc(C(F)(F)F)nn12 766892545 PQUZSPWNBRAGAZ-UHFFFAOYSA-N 435.450 4.192 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 768165916 VQRKMVAPIVLOAH-OAHLLOKOSA-N 437.874 4.299 10 20 IICD O=S(=O)(NC1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1)c1cccs1 768228714 LWQUINDNWONSBG-UHFFFAOYSA-N 428.579 4.064 10 20 IICD Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1cccc(Br)c1 768377715 KYSZIVUWFVOASM-OALUTQOASA-N 435.387 4.203 10 20 IICD O=C(Nc1nc(C2CCC2)cs1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769152154 WGLWWNCSWTWMHM-UHFFFAOYSA-N 435.552 4.231 10 20 IICD Fc1ccc(-c2noc([C@H]3CCCN(Cc4ccc(N5CCOCC5)c(F)c4)C3)n2)cc1 769234932 ZBKYOJZUXAHQET-IBGZPJMESA-N 440.494 4.231 10 20 IICD CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 771769580 UIMFPOQIHQDVRW-XMMPIXPASA-N 438.641 4.046 10 20 IICD COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773019531 YOBSCUFIYIWYHS-AWEZNQCLSA-N 433.346 4.364 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21 774108270 LDUDNMZMEHWYMQ-OAQYLSRUSA-N 437.540 4.295 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC([C@H](O)C(F)(F)F)CC1 775726606 VCTGDKQJKJMLPG-ZDUSSCGKSA-N 447.089 4.052 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 776507208 RPUDVRXNPLKAGA-GHTZIAJQSA-N 430.593 4.264 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CC[C@H]3SCCS[C@@H]23)NC(=O)OC(C)(C)C)cc1 777300577 FBTUQQWDQKVRRQ-WCIQWLHISA-N 437.675 4.288 10 20 IICD CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 779337106 WYIFMDRBNABLLI-GAJHUEQPSA-N 445.991 4.124 10 20 IICD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C 780495918 FOZGNFOQLQDADW-CJFMBICVSA-N 447.620 4.200 10 20 IICD COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 783831239 UJJBXHRSMSCMSL-UHFFFAOYSA-N 425.875 4.181 10 20 IICD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784109476 UBWKPPNNMRSUSA-UHFFFAOYSA-N 449.530 4.123 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(Cl)cc2-n2cncn2)C1 792979789 NGXCUZWVULHOBW-IBGZPJMESA-N 432.355 4.034 10 20 IICD Cc1cc(-c2nnc(N(C)CCOCC3CC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802763056 AVTFTBULYPKTAZ-QFIPXVFZSA-N 449.599 4.252 10 20 IICD CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc2c1C 808113617 DXUHVAOMKDTPFQ-UHFFFAOYSA-N 444.893 4.080 10 20 IICD CCS[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 809236327 MBVUETDCHFKANA-KNQAVFIVSA-N 443.613 4.055 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1O 810210818 FNZMMVPYJNMJCJ-JXFKEZNVSA-N 435.490 4.354 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(Br)s1 916593908 AODYWWDTMYHCTR-UHFFFAOYSA-N 426.405 4.063 10 20 IICD CC1CCN(c2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 916674278 XJIAQMRQNNIMDV-UHFFFAOYSA-N 440.563 4.345 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 917115540 LKQJFQCOVOPQCV-RUZDIDTESA-N 441.531 4.159 10 20 IICD O=C1/C(=C\c2ccc(F)c(-c3cccs3)c2)SC(=S)N1CCCN1CCOCC1 917643791 KHBWQHXRXHCVTP-XMHGGMMESA-N 448.610 4.478 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc4cnccc34)n2)c(F)c1 917871795 XXSMTMSMFOTEIN-UHFFFAOYSA-N 442.497 4.257 10 20 IICD CCOC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1Cl 918053343 RSCCGAKZEVQBAE-KRWDZBQOSA-N 432.904 4.435 10 20 IICD COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918221061 NJFSZRFBNLASGP-FGTMMUONSA-N 429.536 4.351 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918299614 SPZBNAKEDMBYFO-UHFFFAOYSA-N 434.005 4.368 10 20 IICD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCCCCC1 15688307 YAAGJSUUXFCFAH-AWEZNQCLSA-N 439.895 4.063 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1F 116151330 PIOPOPQKIUALNO-LJQANCHMSA-N 438.330 4.120 10 20 IICD Cc1c(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n(C)c2ccccc12 479436746 JEIJRLNWVYHAHM-QGZVFWFLSA-N 433.371 4.258 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCCCN(C)c2ccccc2)cc1 726445966 SCZGXIRNFLQATL-XMMPIXPASA-N 440.657 4.135 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 727168151 JFLGNHQDFAKNPS-UHFFFAOYSA-N 427.501 4.221 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1Br 729469986 LRXWHTIAJWDMDX-NSHDSACASA-N 440.225 4.407 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3COc3cccc(C=O)c3)CC2)cc1 731627174 QBXYILQTZUODIN-UHFFFAOYSA-N 444.531 4.486 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1C 732910971 MJBJDBOQCDTSDS-UHFFFAOYSA-N 426.523 4.114 10 20 IICD Cc1cc(C(=O)NCc2cc3c(nc2O)CCC3)c(C)n1-c1cccc(Br)c1 733179733 JLHUOQUKTPJNES-UHFFFAOYSA-N 440.341 4.376 10 20 IICD Cc1cc(C(=O)COC(=O)CC2CCOCC2)c(C)n1-c1ccc(Br)cc1 735355752 WVBYKHRMFLANES-UHFFFAOYSA-N 434.330 4.399 10 20 IICD CC(C)n1cc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 743047469 WAGIENRHFKTNCM-UHFFFAOYSA-N 433.378 4.212 10 20 IICD COc1cccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1O 743331720 BYGSZKFAIFREIM-DHLKQENFSA-N 444.531 4.197 10 20 IICD Cc1cc(C(=O)Cn2nc(Br)nc2Br)c(C)n1-c1ccccc1 746137528 JNCLUNNRTCSDGZ-UHFFFAOYSA-N 438.123 4.094 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)c(F)c1 752189951 FEQUGSDHCQZTQX-UHFFFAOYSA-N 448.526 4.318 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1 753815846 PGESULSORSKHCX-UHFFFAOYSA-N 433.556 4.097 10 20 IICD CC[C@@H](N[C@@H](C)c1ccc(Br)cc1O)c1ccccc1OCC(=O)N(C)C 756434041 TXTJGOBZDDTJJI-KBXCAEBGSA-N 435.362 4.424 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2cc(F)cc(F)c2O)CC1 756768230 BOULFQAVEYQFBI-INIZCTEOSA-N 438.540 4.083 10 20 IICD CC(C)C[C@H](C)Oc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccn1 761266761 FVVLJGZZSPNOHS-HNNXBMFYSA-N 431.920 4.218 10 20 IICD O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 765319920 CRCAAGKQAYNZCN-KNKQGSTJSA-N 445.510 4.476 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4ccc(Br)cc4)C3)CC2)cc1 765701607 BLQMGTHBSACQRI-IBGZPJMESA-N 430.390 4.295 10 20 IICD COc1ccc(N2CCN(C(=O)c3csc(Cc4ccc(C)cc4)n3)CC2)cc1F 768426399 RWVORMZTHNJNQE-UHFFFAOYSA-N 425.529 4.152 10 20 IICD COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cs2)cc1OC 773989897 RQFCFPKSLPOVDB-OAHLLOKOSA-N 425.554 4.313 10 20 IICD C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 775834962 XGAWNSGQSPMKHC-CABCVRRESA-N 439.541 4.462 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccccc1Br 779074866 VRJKFOMMDOQTKT-JXFKEZNVSA-N 445.357 4.067 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)c(N2CCCCC2)c(F)c1 779140132 KIYQWSIOKKGVBI-UHFFFAOYSA-N 430.499 4.113 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1F 783315162 VNDZHRTWQOVUDT-UHFFFAOYSA-N 436.325 4.030 10 20 IICD C[C@@H](c1ccccc1)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1O 784225740 ZOSPXHJSJQHVSJ-SFHVURJKSA-N 440.521 4.338 10 20 IICD COC(=O)C[C@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccncc1 786241090 QOKVXSUQHMNVIH-NRFANRHFSA-N 425.916 4.106 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 786850248 MZTKXDXNWVBKBI-UHFFFAOYSA-N 437.533 4.080 10 20 IICD CCOC(=O)c1c(NC(=O)COCc2ccnn2C)sc(C)c1-c1ccc(C)cc1 790150303 GMIXHWAWGKSMSR-UHFFFAOYSA-N 427.526 4.097 10 20 IICD CN(C)c1ccc([C@@H](CNCc2ccc(Br)o2)NC(=O)OC(C)(C)C)cc1 790980823 CYQXQUUNOPGWEC-QGZVFWFLSA-N 438.366 4.464 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cccc(OC(C)C)c1 791245606 BZHVRKDGEQMNOW-UHFFFAOYSA-N 426.557 4.405 10 20 IICD C[C@H](NCc1cc(Br)cc(Br)c1O)c1nc(C(C)(C)C)no1 792180827 MVLWSBBQZHSXKF-QMMMGPOBSA-N 433.144 4.449 10 20 IICD Cc1c(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cccc1N1C(=O)CNC1=O 794279475 HYMQDTQVEFFILL-UHFFFAOYSA-N 436.899 4.364 10 20 IICD Cc1oc(C(C)C)nc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 796729428 OVDDCNMITMZKII-SFHVURJKSA-N 430.549 4.168 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc(Cc2ccccc2)cs1 806847881 YDLRNERWQBSTEO-UHFFFAOYSA-N 448.592 4.321 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Oc1cccnc1 807512744 HLPSZWBKIHENIS-UHFFFAOYSA-N 446.290 4.450 10 20 IICD CCS[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 809236328 MBVUETDCHFKANA-SIKLNZKXSA-N 443.613 4.055 10 20 IICD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 809540344 RJOVMDSMMIHFJK-LJQANCHMSA-N 435.593 4.090 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCO1 812430729 QSASKJDPKNTSLC-OAQYLSRUSA-N 431.540 4.192 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1Br 812561752 WAGHAURWUNADJY-UHFFFAOYSA-N 437.340 4.308 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1ccc(Br)cc1 812603651 CLRQTDCYFSEWFR-UHFFFAOYSA-N 442.313 4.005 10 20 IICD C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1OCCc2sccc21 814108153 HLKBFGKOKKDJNF-VBKZILBWSA-N 436.524 4.385 10 20 IICD CSCCCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCO3)SC1=S 814266894 GKGABHUMVOXHCS-GHXNOFRVSA-N 432.386 4.132 10 20 IICD C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)o1 814275549 ZPCCTIOFACOOKJ-KFYYSCHASA-N 448.591 4.059 10 20 IICD CN(C)Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914844945 BKISNLZVOFGITL-QGOAFFKASA-N 445.635 4.430 10 20 IICD O=C(NCc1ccc(OCC(F)(F)F)cc1)NCc1ccc(N2CCSCC2)cc1 916249329 DKWQNLXFZFXEEA-UHFFFAOYSA-N 439.503 4.180 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccnc(Oc2ccccc2)c1 916403717 SLNPBGXEVNLHRP-UHFFFAOYSA-N 434.565 4.427 10 20 IICD CCOc1ccc(OC(C)(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917710521 JQAQXFVZJZUKTC-QZTJIDSGSA-N 444.547 4.312 10 20 IICD O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971184 JOZAEPJCQKBZEK-UHFFFAOYSA-N 437.515 4.081 10 20 IICD CCOC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccc4c(c3)CCN4C)nc(=O)c2c1C 1319410208 PIWOCYLAFFPVID-UVTDQMKNSA-N 429.929 4.199 10 20 IICD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1C 1800514242 DNZDODWAMHTUQL-RHHYMUMYSA-N 444.579 4.307 10 20 IICD Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1NC(=O)c1ccco1 301993752 DKJHYOCZBRRPNF-FQEVSTJZSA-N 434.492 4.367 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3nc(-c4cccc(OC)c4)no3)ccc21 464929372 LRONKSVVLDKUFB-MRXNPFEDSA-N 448.523 4.454 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)CC2)cc1 725868515 WGNRMNWXGQDKIQ-FPOVZHCZSA-N 433.474 4.492 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3cccc4c3OCCCO4)SC2=S)c1 726624897 ASSSHQPVKSHLIG-WQRHYEAKSA-N 429.519 4.271 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1C 727178095 RNSWVIHDKSNHJD-OVCLIPMQSA-N 448.953 4.309 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1 730381478 JPKZQCXBVXLREY-UHFFFAOYSA-N 426.542 4.050 10 20 IICD COc1cc(OC)c(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1 731119421 RICDWDLXXDHRRW-UHFFFAOYSA-N 441.572 4.087 10 20 IICD C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731544175 VRVKKWNFUMOKGS-HNNXBMFYSA-N 437.462 4.150 10 20 IICD COCCCn1ccc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1 734829985 JUSCDUFEFJEPPA-UHFFFAOYSA-N 431.334 4.342 10 20 IICD C[C@H](c1ccccc1)N1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 734946807 OGOKELOQYOXBDG-HYBUGGRVSA-N 437.584 4.308 10 20 IICD Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2)cc1 735463240 GUYHTTWHCFWQOL-UHFFFAOYSA-N 439.581 4.150 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 736986012 HZWJCRSVSOFDSW-UHFFFAOYSA-N 443.454 4.437 10 20 IICD Cc1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 743554367 CANITBCROMWCKS-QYZOEREBSA-N 429.536 4.014 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 743701816 BJLRGGMAMMKNCW-QGZVFWFLSA-N 437.544 4.494 10 20 IICD CCN(CC(=O)N(C)Cc1ccc(SC)cc1)Cc1cc(Br)ccc1O 743871998 MTEPMFQSUJWNRP-UHFFFAOYSA-N 437.403 4.357 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1CC(F)(F)F 743888921 HKYGYBBQUTYELM-UHFFFAOYSA-N 433.474 4.379 10 20 IICD Cc1cc(-c2nnc(N3CC[C@@]4(CCOC4)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752846088 UYYJQASYLGTSST-HFZDXXHNSA-N 447.583 4.006 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)CC2)cc1F 753895464 UHXPUPIECGLYRJ-UHFFFAOYSA-N 443.910 4.087 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1 753929579 FFRJVVJAOCBLMQ-MRXNPFEDSA-N 437.462 4.324 10 20 IICD CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 754550807 GOZORPXLNLAEGY-UHFFFAOYSA-N 440.499 4.377 10 20 IICD C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)c(F)cc1O 756351420 KBGSEWHXGVYRFM-YJYMSZOUSA-N 441.316 4.157 10 20 IICD C[C@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)cc(F)c1O 756353321 YRQZXQXIMGCNNO-DJJJIMSYSA-N 441.316 4.157 10 20 IICD C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O 756509837 FNZFAHRYULQPRU-KUHUBIRLSA-N 435.337 4.178 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2cc(Br)cc(F)c2O)N(C)C)cc1OC 756666064 ZKSDUYDQFVYQQH-SJKOYZFVSA-N 441.341 4.265 10 20 IICD C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1O 756688606 PBMKMLSZFOWISH-CQSZACIVSA-N 443.396 4.451 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 765379280 SKMAOULKQIRMOI-CEMLEFRQSA-N 447.595 4.320 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(n3c(O)nc4ccccc43)CC2)ccc1N1CCCCC1 768219338 WOUYKYBWMKBGRR-UHFFFAOYSA-N 435.528 4.478 10 20 IICD CC/C(=C/c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1)c1ccc(C)cc1 771081346 FVQSPRDSDMSVNJ-JZJYNLBNSA-N 446.551 4.229 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 772474692 NVCDEPNWUPCCJO-UHFFFAOYSA-N 434.565 4.286 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 773751009 YYWWQXGMEQDXJH-CQSZACIVSA-N 436.533 4.261 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cs1 776744130 QTTWXAJKFGVOPY-UHFFFAOYSA-N 446.531 4.318 10 20 IICD CCN1CCN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)c(C)c2)CC1 776756506 OYGQFXHLUKFAER-HXUWFJFHSA-N 426.580 4.286 10 20 IICD COc1nc(C)c(Br)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O 777144710 JMOATPFSMAOMJY-UHFFFAOYSA-N 431.286 4.302 10 20 IICD CC1CCN(c2ccc(CNC3CC(C(=O)OC(C)C)(C(=O)OC(C)C)C3)cc2)CC1 783568873 HFDITTLBRSFOCO-UHFFFAOYSA-N 430.589 4.065 10 20 IICD COc1ccc(O)c(CN(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)c1 785990342 HRYIATZIRFJEQL-GOSISDBHSA-N 436.346 4.353 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 787554300 CAFQIQXNIZJYQJ-UHFFFAOYSA-N 441.434 4.235 10 20 IICD O=C(NCc1ccc2ncccc2c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 792115616 QHBFSRRQORQYDP-SFHVURJKSA-N 426.467 4.304 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 797647124 YEPWSLVLSHAYQF-JTQLQIEISA-N 449.330 4.132 10 20 IICD Fc1ccc(CC2(NCc3ccc(N4CCOCC4)c(F)c3)CCOCC2)c(Cl)c1 815159084 HVVWQDRYMAVVNS-UHFFFAOYSA-N 436.930 4.336 10 20 IICD O=C(c1cccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)c1)N1CCOCC1 815565148 DQUWHNLEJVRGAP-VWLOTQADSA-N 430.548 4.328 10 20 IICD O[C@@H](COc1ccc(F)cc1)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 836233132 DGUYUNYACXIAKZ-PZJWPPBQSA-N 428.529 4.400 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1nccn1C(F)F 913359870 FNKQGKMKOPXBSB-XFXZXTDPSA-N 443.522 4.065 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)cc1 914437219 FKQKIOXLKMLGPO-FQEVSTJZSA-N 439.987 4.449 10 20 IICD COc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3ccccc3n2)cc1OC 917355460 DPVQZOCMHWJZFK-UHFFFAOYSA-N 444.487 4.303 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 920940125 WWHVHJXDFCIZFB-ROUUACIJSA-N 445.633 4.261 10 20 IICD Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1252409549 GBNJARVZIISQDR-MRXNPFEDSA-N 446.498 4.089 10 20 IICD O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 1319933194 DHPFPQMNPFMFHS-SFHVURJKSA-N 443.389 4.295 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccnc3[C@@H](O)c3cccnc3)c2C)cc1 1324146970 FXJMNJCFTFBUGH-DEOSSOPVSA-N 430.508 4.049 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c(C)n1-c1cccc(F)c1 1339033045 LCBVYBFMJAOSER-NRFANRHFSA-N 434.467 4.109 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)s1)c1cc(O)c(O)c(Cl)c1 1795042975 OIFNBTLRQINITA-ZSBIGDGJSA-N 441.336 4.032 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc[nH]2)C3)cc1 1800513269 FBDNTIJZPRLIJE-RHHYMUMYSA-N 444.579 4.307 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cc2ccccc2o1 1800714998 SUWUEUMNFDPKKJ-MUJYYYPQSA-N 440.883 4.063 10 20 IICD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)CCC1 1818867536 FXCFBLRWERXGNN-GFCCVEGCSA-N 449.960 4.014 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCCC(=O)N3Cc4ccccc4C3)cc2)CC1 303455334 JRVAYHHKGXOYDG-UHFFFAOYSA-N 434.584 4.045 10 20 IICD CO[C@@H](c1cccc(Cl)c1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 545003041 GMPLBKQROSUUIU-SFHVURJKSA-N 425.897 4.342 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(-c2ccccc2)[nH]1 726101211 KJPBHEXFJXQDRW-FQEVSTJZSA-N 437.519 4.003 10 20 IICD CN(CCc1cccc2ccccc12)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 726103714 NZBNFPHTQIHUIT-UHFFFAOYSA-N 435.543 4.324 10 20 IICD C[C@@H]1CN(c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2F)C[C@@H](C)O1 726467157 YIYIXHWHTVSDJA-QZTJIDSGSA-N 430.593 4.252 10 20 IICD O=C(Cc1ccc(Br)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565940 IPZRBDMSDMWLMY-UHFFFAOYSA-N 439.300 4.378 10 20 IICD CCn1cc(Br)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726625595 KMGLZMMVWQGINV-UHFFFAOYSA-N 442.304 4.271 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 727249618 DMXBLKRQOVFEBD-UHFFFAOYSA-N 443.865 4.320 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c(C)n1-c1ccc(F)cc1 727676938 UQMUIKWPLHXLID-UHFFFAOYSA-N 441.453 4.110 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(C)n1C[C@@H]1CCCO1 727864107 SEZYRVBUGFLDRT-GUBFPNNNSA-N 427.595 4.123 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 728754667 BKWIFPPXHUWYKW-LJQANCHMSA-N 445.405 4.326 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 728983110 UQEFEUPWFBJXSD-LSDHHAIUSA-N 436.468 4.368 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1 734014964 OWTYSQXHMXDWEZ-UHFFFAOYSA-N 429.270 4.281 10 20 IICD Cc1nn(-c2ccccc2)c2nc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc12 735518186 GVHQYXKFEOFWLV-NRFANRHFSA-N 442.519 4.256 10 20 IICD CCn1cc(Br)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742802314 WZNYSDAJMFKBQB-CQSZACIVSA-N 442.304 4.271 10 20 IICD COc1ccc2c(c1)OCC[C@@H]2NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 743650858 XTBSCFRTYJGYFD-FQEVSTJZSA-N 447.482 4.088 10 20 IICD CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCCC2 743702617 QYRWTEVUBWMXBF-WOJBJXKFSA-N 437.531 4.294 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCCN1Cc1ccccc1 746200251 GDRQFXBIEQDSNG-QHCPKHFHSA-N 443.538 4.428 10 20 IICD COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c1 751318720 OYJSSEIKGGAUTD-CYBMUJFWSA-N 437.464 4.237 10 20 IICD COc1ccc(N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(OC)c1 752111802 NASKLABBGBYIRH-GOSISDBHSA-N 425.510 4.172 10 20 IICD Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CCC2 754784023 AZZQGZWAICZNEF-DEOSSOPVSA-N 431.559 4.418 10 20 IICD C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756774845 LQOYELYXJVVGQS-HZMBPMFUSA-N 447.142 4.311 10 20 IICD C[C@H](O)C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 759583054 HVWIZRIIDUVKAZ-IHPCNDPISA-N 447.526 4.111 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(CN2CCCC2)cc1 761981851 ISGHBZVFJGENPE-JOCHJYFZSA-N 427.976 4.036 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)n2)cc1 763389014 GRUUJJDLXPXIQJ-UHFFFAOYSA-N 445.541 4.294 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1ccn(C3CCCC3)n1)c2[N+](=O)[O-] 763860935 HFKZTZVEDSBCAY-UHFFFAOYSA-N 445.431 4.039 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 763985868 VOEHVOJBLBZASJ-UHFFFAOYSA-N 440.569 4.491 10 20 IICD Cc1ccc(OCc2nc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)cs2)cc1 764412801 VCFPQFZGWHHTRA-PXNMLYILSA-N 429.548 4.420 10 20 IICD C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(N2CCSCC2)cc1 765079002 IMNCBCCKOSSLNZ-SFHVURJKSA-N 432.033 4.420 10 20 IICD Cc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1N1CCSCC1 765279200 XKINNYWXURGYFY-UHFFFAOYSA-N 436.375 4.338 10 20 IICD COc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 765680698 YYLDKKQPHTVXPQ-HUUCEWRRSA-N 435.927 4.101 10 20 IICD CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 766492296 SEHSMUKAFZVHTQ-QGZVFWFLSA-N 442.535 4.026 10 20 IICD COc1ccccc1[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1 769203809 ULTVQMAWPPUKRR-CYFREDJKSA-N 436.508 4.474 10 20 IICD CCc1ccccc1Cc1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 771418465 IYLUASKIGZRONH-UHFFFAOYSA-N 441.534 4.458 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1O 774865672 VJSBMHKROAHYLQ-IAGOWNOFSA-N 435.521 4.063 10 20 IICD CC[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)ccc1O 775533059 WEYYPLJMBUKUKP-MRXNPFEDSA-N 438.753 4.308 10 20 IICD CN(Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCc2c1cnn2C 775731668 JFQVWFMGHRBKRX-CQSZACIVSA-N 429.156 4.160 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)s1 776744612 YBDJRNBYEJGESD-UHFFFAOYSA-N 446.531 4.318 10 20 IICD CCn1c(O)nc2cc(C(=O)N(Cc3ccccc3O)[C@@H](C)c3ccccc3)ccc2c1=O 777826042 GEDNKRZUTMHFPG-KRWDZBQOSA-N 443.503 4.231 10 20 IICD C[C@H](NC(=O)NCCc1cn(C)c2cc(Cl)ccc12)c1ccc(N2CCOCC2)cc1 780339231 PSDAAUKXDQLJPB-KRWDZBQOSA-N 440.975 4.271 10 20 IICD O=C(COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Cc1ccccc1 785147128 XWROXYXHPWOYPF-AQTBWJFISA-N 445.587 4.085 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(COC(C)C)cc1 785192881 QVPIAOUGSIYHIT-UHFFFAOYSA-N 449.345 4.067 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)cc1 786054455 WWPJGFOZLJUYMC-UHFFFAOYSA-N 448.317 4.073 10 20 IICD COc1ccc2nc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)sc2c1 788960048 BDYJOVLUKQEDPP-UHFFFAOYSA-N 437.487 4.450 10 20 IICD Cc1oc2c(CN3C[C@H](C)O[C@]4(CCCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 794890372 OHYSYMCXBNLNLT-MRDQGFSESA-N 435.520 4.244 10 20 IICD CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)c1 795546241 ANDXILDWCWOMPO-UHFFFAOYSA-N 446.550 4.115 10 20 IICD CCc1c(C)sc2nc(Sc3ncc([N+](=O)[O-])s3)n(C[C@H]3CCCO3)c(=O)c12 799925882 UXUNBIIBSXXEOV-SNVBAGLBSA-N 438.556 4.024 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800637485 ZYGFEQYCEFAHAB-HNNXBMFYSA-N 427.932 4.034 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 801818803 VFHOFWOUEQZIME-UHFFFAOYSA-N 441.507 4.344 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 802496409 SDGMYYCFJZBHOJ-QFIPXVFZSA-N 435.572 4.125 10 20 IICD O=C(NCCCSc1nccs1)C(=O)NCc1ccccc1Sc1ccccc1 804945123 QPKOQYMGQNGNBB-UHFFFAOYSA-N 443.619 4.209 10 20 IICD CC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 807209392 JUEAELCLUGAIBI-HKUYNNGSSA-N 435.012 4.024 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 807267358 YXMTUXPQCLLSFI-FQEVSTJZSA-N 428.435 4.060 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)c1ccccc1C(F)(F)F 808266666 RAUMXTZMGLMXMB-HOTGVXAUSA-N 435.490 4.038 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 813683812 DGGLWMUKSJZQSU-UHFFFAOYSA-N 446.327 4.484 10 20 IICD CNC(=O)Oc1cccc(NCc2cc(Br)cc(Br)c2O)c1 814174306 COXBXSFZCMZTAM-UHFFFAOYSA-N 430.096 4.248 10 20 IICD C[C@@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 817707310 KZOXIJGIKQLKOB-GFCCVEGCSA-N 444.468 4.189 10 20 IICD O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(I)cc1 906373551 XUTLQZHMRIVRRU-UHFFFAOYSA-N 448.332 4.277 10 20 IICD CC(C)[C@H](C)N(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 915167023 VJZLDMXATOOCIR-ZENNRRHLSA-N 441.416 4.153 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 916502836 NNAQVADJRDBZSQ-RUZDIDTESA-N 443.547 4.405 10 20 IICD Cc1cc(C)cc(OCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 917380842 OCMQGDSWGARBHT-UHFFFAOYSA-N 436.474 4.244 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)n1-c1ccc(F)cc1F 917618538 BGKYLCZYNAEPTQ-MFOYZWKCSA-N 436.505 4.438 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3csc(Br)c3)cc2F)C[C@@H](C)O1 917711549 HEGBLYBYTYMXHE-TXEJJXNPSA-N 427.339 4.193 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CCc2cc(F)ccc21 919919435 CKTSKOKYVHXLRV-HXUWFJFHSA-N 437.437 4.168 10 20 IICD CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821939440 MLKKPNYLDVSYFW-HNNXBMFYSA-N 434.924 4.216 10 20 IICD CN(CCOc1ccc(F)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726719095 QVNRHVURFGITIN-UHFFFAOYSA-N 437.462 4.116 10 20 IICD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4c(O)ccc5ccccc45)CC3)cc2NC1=O 727424090 BMFFCZJYCXOPBP-INIZCTEOSA-N 430.504 4.360 10 20 IICD CC(C)(C)n1nccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 730484932 XYAUPZOMOLXHPS-WYMLVPIESA-N 434.612 4.320 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OC(F)(F)F)cc2)CC1 731131486 KYOBRTVMIKRXMQ-UHFFFAOYSA-N 435.446 4.076 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c(C(=O)OC)sc3ccccc23)cc1 731671620 UOQXLXWGKYYTOO-UHFFFAOYSA-N 446.594 4.355 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1 731687669 OFKSBFRPGIKRRB-VQIMIIECSA-N 431.964 4.469 10 20 IICD COc1cccc(CNCc2cc(Br)cc(Br)c2OC)c1O 733900885 OJRZGVNPSJYTQH-UHFFFAOYSA-N 431.124 4.224 10 20 IICD O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCCCSc1nccs1 733972610 JFPMIVLFTXHXSC-UHFFFAOYSA-N 437.641 4.189 10 20 IICD COc1ccc(O)c(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c1 734015274 FEWPWZJYCWMAHR-UHFFFAOYSA-N 434.323 4.369 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 737125774 CCZSFBLLUDPLQP-UHFFFAOYSA-N 428.964 4.041 10 20 IICD COc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCSCC4)cc3)s2)cc1 742554735 VANMTMBBELSDLH-UHFFFAOYSA-N 425.579 4.302 10 20 IICD COCCn1c(C)cc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1C 743282048 IWVHATFAQGAXIY-ACRNLXFHSA-N 428.579 4.476 10 20 IICD CCN(CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cc(Br)ccc1O 743872810 AAOOMUXALYBAID-UHFFFAOYSA-N 449.267 4.161 10 20 IICD C[C@H]1CCN(CCOc2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)C1 745180538 OBDGYZXOJKOVHX-FQEVSTJZSA-N 426.630 4.220 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Oc1ccccc1F 745892415 XUSBNRREIXSFNQ-CYBMUJFWSA-N 425.298 4.293 10 20 IICD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)C1 747017913 SFKKMVRKEHBUHH-NTKDMRAZSA-N 449.595 4.419 10 20 IICD Cc1cc(C(=O)NCc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 749437004 OYJJCPGKPTWUQC-UHFFFAOYSA-N 430.957 4.222 10 20 IICD CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1O 750822947 MIXJDQDTTWYYII-UHFFFAOYSA-N 449.320 4.347 10 20 IICD CC(C)OC1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 752653115 XITZGNFSJGHDFL-UHFFFAOYSA-N 443.510 4.077 10 20 IICD C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756713885 WFPKOEOAXXDUIF-PSLIRLAXSA-N 433.115 4.441 10 20 IICD O=C(CCc1cc(Br)ccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 759675183 LHYSYBQLUMDIBH-SFHVURJKSA-N 436.321 4.434 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cc(F)ccc2Br)SC1=S 761180798 KGNWLCZLALBDFF-RIYZIHGNSA-N 431.396 4.377 10 20 IICD COc1ccc2c(c1)c(C(=O)NCCc1ccc(O)c(O)c1)c(C)n2Cc1ccccc1 762267833 SJGRDWGKWBDQCH-UHFFFAOYSA-N 430.504 4.390 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 762664085 JQFPGOKRPVTVAS-GCJKJVERSA-N 432.971 4.380 10 20 IICD CCOc1cccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c1O 763507151 NPBYBGBCTNZJGO-UHFFFAOYSA-N 432.568 4.163 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(OCc4ccccc4F)CC3)CC2)cc1 768941122 OZUWNXAODHIELM-UHFFFAOYSA-N 441.547 4.194 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 772821415 CEXBAZTYUWGRQD-NRFANRHFSA-N 440.540 4.490 10 20 IICD Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1-c1ccccc1C(F)(F)F 773008044 AYDMKGDHCHQOEC-HNNXBMFYSA-N 444.457 4.117 10 20 IICD Cc1ccc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2n1 773039858 ZPSPGXOZEVWUOB-UHFFFAOYSA-N 429.442 4.329 10 20 IICD C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119557 ILUHLHWLIBUTQA-WZONZLPQSA-N 427.976 4.018 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C(F)(F)F)cc1Cl 775537766 WWRQWMGVSWSQHX-UHFFFAOYSA-N 426.866 4.498 10 20 IICD CCc1ccc([C@@H](NCc2cc(OC)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 777483348 NRRTVJQMLHXTFS-XMMPIXPASA-N 425.550 4.246 10 20 IICD Cc1nnc(S[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1C(C)C 777587385 RWBGYNDEMXXSDT-CYBMUJFWSA-N 434.521 4.062 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(O)(c3c(F)cccc3F)CC2)ccc1N1CCCCC1 779195715 HDAMRQJZQIEQOA-UHFFFAOYSA-N 431.483 4.347 10 20 IICD CCOC(=O)[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H]1CCCOC1 781204996 ZTQSIFHFAQAYJT-JTSKRJEESA-N 438.528 4.256 10 20 IICD COCc1nc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cs1 781998353 HSCQZNMKPYZMMJ-UHFFFAOYSA-N 427.865 4.075 10 20 IICD COC(=O)COc1ccc(N(C)Cc2ncc(-c3ccc(Br)cc3)o2)cc1 784563581 KMGGNALOBXKTJJ-UHFFFAOYSA-N 431.286 4.292 10 20 IICD Cc1cc(C(=O)CN2CCOCC3(CCOCC3)C2)c(C)n1-c1ccc(OC(F)F)cc1 784606693 PWEZHQRWQUBIDA-UHFFFAOYSA-N 448.510 4.007 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 788807436 ZQMHUSMETLLTNM-MGPUTAFESA-N 434.367 4.286 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnc2c(F)cccc2c1 794237202 BNHJDQFEXPTIBB-UHFFFAOYSA-N 433.405 4.159 10 20 IICD C[C@@H](Oc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1)C(=O)O 794687112 QPJMSJJFKJGLER-RNEAKCBISA-N 428.535 4.010 10 20 IICD COC(=O)c1cc2c(cc1F)NC(=O)/C2=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 794739415 PENUYAGUNTVTOT-OQLLNIDSSA-N 425.416 4.004 10 20 IICD CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636297 IQXFDAZOAYUJOW-MRXNPFEDSA-N 429.948 4.230 10 20 IICD Cc1cc(-c2nnc(N3CCC(O)(c4ccccc4)CC3)n2C)c(C)n1-c1ccccc1 800731475 GVQYRHJOBZXICI-UHFFFAOYSA-N 427.552 4.378 10 20 IICD CC[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(Cl)cc(Cl)c1O 806134595 ZYCFLGIPGMDHJM-KDOFPFPSSA-N 439.339 4.064 10 20 IICD COc1ccccc1CN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914333603 JGHKVJRAEDZWJJ-AQTBWJFISA-N 446.619 4.397 10 20 IICD Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916631946 OMYWMJKORSTJTC-UHFFFAOYSA-N 438.406 4.080 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3c(Cl)cccc3Cl)cc2F)C[C@@H](C)O1 917180567 CRPWMSNIWCFYMG-OKILXGFUSA-N 441.330 4.441 10 20 IICD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 917925917 RGQVRXGBFUADRM-UHFFFAOYSA-N 434.455 4.044 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)C1 918123466 XHPJYLMHNSXJRY-PGRDOPGGSA-N 440.975 4.088 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1Br 918293948 KBQKZRPYCKEGPZ-UHFFFAOYSA-N 443.297 4.224 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCCN(C)c3ccccc3)cc2F)C[C@@H](C)O1 919782574 ZMAXZJLYSALGCJ-BGYRXZFFSA-N 442.579 4.155 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1F 1318690321 DYYGBFBEPAOMCH-CYBMUJFWSA-N 428.401 4.240 10 20 IICD CN1CCN(c2ccc(CNc3cc(C(=O)N4CCCCC4)ccc3Cl)cc2F)CC1 1335223801 YCCJNZMMLPKNKI-UHFFFAOYSA-N 444.982 4.469 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291880 HWGSCFAZVAWJFY-KRWDZBQOSA-N 440.887 4.094 10 20 IICD CNc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cc1 1842900584 KUKZUOXTDJNBIT-UHFFFAOYSA-N 442.563 4.267 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCCOc1ccccc1 11642058 ORPILMMUQHQKPN-OAQYLSRUSA-N 437.565 4.016 10 20 IICD COc1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)o2)c([N+](=O)[O-])c1 237420013 AFUZMGAASGCDIL-UHFFFAOYSA-N 441.459 4.129 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cnc3ccccc32)cc1 302986379 KNZBYHYJVHJRIN-UHFFFAOYSA-N 440.547 4.164 10 20 IICD Cc1cc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)ccc1NC(=O)C1=S=CC=C1 544679378 CLNMRCYUGPIYQD-UHFFFAOYSA-N 432.480 4.472 10 20 IICD O=[N+]([O-])c1cc(I)ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 603845242 QNYKUXLSHAIFMK-UHFFFAOYSA-N 446.248 4.369 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(-c4cccs4)c3)cc2)C1 726078764 PKMIACAOULJFJH-IBGZPJMESA-N 434.565 4.439 10 20 IICD C[C@@]1(c2ccc(CNC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc2)NC(=O)NC1=O 726230289 MEDASIZDVPMRET-DEOSSOPVSA-N 442.479 4.478 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 726561579 FSEYJRYDUYXWCS-UHFFFAOYSA-N 438.509 4.126 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(OC)cc3C(F)(F)F)CC2)cc1 726615677 RMRCGXCIHKQIQB-UHFFFAOYSA-N 437.462 4.191 10 20 IICD CN1CCCc2cc(CNC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21 726709334 LZWKPNBDFIRWOH-UHFFFAOYSA-N 444.526 4.139 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 727034867 WEAATLXKFYKDAF-QHCPKHFHSA-N 445.007 4.011 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)sc2C)cc1 727245919 JTEDEAUXFRHXSM-UHFFFAOYSA-N 441.582 4.462 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2F)C[C@@H](C)O1 728597810 SVXISRBHCDYNKS-RRQZXNHTSA-N 448.542 4.423 10 20 IICD CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@@H](C)c3cc(OC)ccc3O)c2c1C 728908532 KCLMBCDLPYYKCO-ZDUSSCGKSA-N 444.557 4.125 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1F 731345914 LLGOHUXFMDRQFT-IBGZPJMESA-N 445.966 4.494 10 20 IICD Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 735516598 URKRCOWWMOAONS-HXUWFJFHSA-N 425.554 4.007 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(N4CCNC4=O)c3)cc2)CC1 742648768 BRWVHASEYFJGEI-UHFFFAOYSA-N 426.948 4.036 10 20 IICD CC[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 742922024 QGYIJJVEECFOLN-WZMONFQBSA-N 426.654 4.084 10 20 IICD O=C(Nc1ccn(Cc2ccccc2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743115076 SQYNTYABQLBVAP-SFHVURJKSA-N 441.482 4.323 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCO[C@@H]3c3ccc(C)cc3)CC2)cc1 743707706 KRROWDGFKUBDQE-RCZVLFRGSA-N 437.584 4.393 10 20 IICD Cc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c(C)n1-c1ccccc1Br 743874857 ZOYAERIGJZUPHW-UHFFFAOYSA-N 437.301 4.289 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COCc2nc3ccccc3s2)cc1 743919040 WMJRWAQWMZSLMK-FQEVSTJZSA-N 439.581 4.087 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 745510293 FKOGZAFEOYKNKY-IRXDYDNUSA-N 440.426 4.444 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Br)c([N+](=O)[O-])c1 751306704 AWXQIQHLJQYZJZ-UHFFFAOYSA-N 438.241 4.319 10 20 IICD C[C@@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 752006366 GFSJZZTZHVXLLE-BWKNWUBXSA-N 437.584 4.018 10 20 IICD CC(C)(C)OCc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 752722648 PHAJFMHFNRPNLN-UHFFFAOYSA-N 436.508 4.468 10 20 IICD C[C@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 756515051 BSAXYOSYAAUBSA-LIRRHRJNSA-N 439.434 4.043 10 20 IICD C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 757624853 ZDUXPRKXNJNFRF-GQIGUUNPSA-N 425.495 4.405 10 20 IICD C[C@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)c(F)cc1O 757640783 UOJBSDSQAHSIIA-WMLDXEAASA-N 437.353 4.101 10 20 IICD COc1ccc(N(C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1Cl 757857423 SOOXTGCAEIKACY-IBGZPJMESA-N 430.932 4.310 10 20 IICD O=C(NCCCSc1nccs1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 759579244 KJPAAOLQUORSTF-INIZCTEOSA-N 444.548 4.218 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2ncccc2C(F)(F)F)c(C)n1-c1ccccc1 761626108 SZWQCYVSHWPBCI-UHFFFAOYSA-N 436.455 4.306 10 20 IICD CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 763936329 CMZLGPUIKFDMPK-GJZGRUSLSA-N 447.532 4.390 10 20 IICD COc1cc(OC)c(CCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c(OC)c1 765872614 XRDQVYFRXRTOHL-INIZCTEOSA-N 434.964 4.096 10 20 IICD C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238053 OHDMYQBYOVDTNF-XQFWAAQXSA-N 430.543 4.152 10 20 IICD Oc1ccc(-c2ccccc2)cc1CN1CCN(Cc2nc(O)c3ccccc3n2)CC1 768227967 HXGQZIAGIKLOCQ-UHFFFAOYSA-N 426.520 4.026 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 773740529 QGWDVINZUBRHSW-INIZCTEOSA-N 433.533 4.432 10 20 IICD CCC(CC)[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 775211749 KPJYQVYYHOXBIX-HSZRJFAPSA-N 433.593 4.107 10 20 IICD O=C(Nc1csc2ccccc12)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 779159744 ATGAKJBUISASGR-AWEZNQCLSA-N 445.491 4.226 10 20 IICD COc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC 781327525 LVBJUXKXGXRPIM-XXBNENTESA-N 440.584 4.156 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2)n1 784062460 MIUJQKVOEOQDGA-UHFFFAOYSA-N 445.523 4.464 10 20 IICD Cc1cc(CC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)no1 785962983 AZUMCCQGCINDHL-HNNXBMFYSA-N 432.423 4.349 10 20 IICD Fc1cc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)ccc1N1CCN(c2ncccn2)CC1 800225197 RREDJVLULIHUFM-JTHBVZDNSA-N 446.574 4.153 10 20 IICD CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(Br)c1O 801070220 UCEJFVPEGFFNQL-LJQANCHMSA-N 446.389 4.255 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1OCC(F)(F)F 802610615 IEBUIAZOOAEAOQ-UHFFFAOYSA-N 438.446 4.409 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OCc1cscn1 802610900 XKWCLEPDDKOABC-UHFFFAOYSA-N 439.537 4.195 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(Sc2ccccc2)CC1 805900188 IPQJHAIEIIAOOW-UHFFFAOYSA-N 437.609 4.076 10 20 IICD C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O 806660943 SEFFEPNJMHXUAO-QWHCGFSZSA-N 441.753 4.469 10 20 IICD Cc1c(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnn1-c1ccc(Cl)cc1 809151814 FPQOMLLZFHMSER-UHFFFAOYSA-N 431.279 4.162 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H](c2nc[nH]n2)C2CCCCC2)NC(=O)OC(C)(C)C)cc1 813863289 BMYWMQJGJVWHSG-LEWJYISDSA-N 442.608 4.348 10 20 IICD O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294319 FPAWNAVGKXXCOH-HSZRJFAPSA-N 446.503 4.331 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(COc4ccccc4OC)o3)CC2)cc1 108430486 DTAARAJMHLKONW-UHFFFAOYSA-N 436.508 4.228 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3ccc(Br)cc3F)CC2)cc1 109365875 GJBCYQYEMZBJBR-UHFFFAOYSA-N 435.337 4.268 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 109559649 PWNGTCBDVRMLNY-RTWAWAEBSA-N 429.358 4.300 10 20 IICD C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 248378292 JDAGJBOSPYJZCZ-KXBFYZLASA-N 434.330 4.130 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 543883869 CDANZAIWQRHPMH-UHFFFAOYSA-N 430.508 4.114 10 20 IICD COc1ccc(N(CC(=O)Nc2ccccc2I)C(C)C)cc1F 725816019 XONCRHRQVKRXHB-UHFFFAOYSA-N 442.272 4.292 10 20 IICD CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 726190636 QBPJXCZUMRBRLP-UHFFFAOYSA-N 439.600 4.210 10 20 IICD COc1ccccc1/C(C)=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 727306279 JCAMDWNAIHOPOE-SSZFMOIBSA-N 434.458 4.270 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c1 729063263 IHADMXPVHDHJRZ-MRXNPFEDSA-N 435.480 4.021 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1F 733854913 VYNHVNAKCZKAID-UHFFFAOYSA-N 436.487 4.114 10 20 IICD O=C(NCCc1nc(-c2cccc(Cl)c2)no1)NCc1ccc(N2CCCC2)cc1 734167338 RRCGRXOHZKYRFD-UHFFFAOYSA-N 425.920 4.032 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(I)cc1Cl 734406553 VDUXSAGSTAOIQJ-UHFFFAOYSA-N 428.701 4.249 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1 735759461 BYONZSPRPWNJHD-FQEVSTJZSA-N 438.355 4.004 10 20 IICD C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 738773461 KSUOMPAFOHJEHO-INIZCTEOSA-N 436.474 4.152 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1 741714165 LQXJICHQCVOHGW-UHFFFAOYSA-N 425.536 4.241 10 20 IICD O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1nc(CC2CC2)no1 743278045 ZBTLYTHEFAPVKD-NTUHNPAUSA-N 436.356 4.186 10 20 IICD CC(C)(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743975003 KNTVDVNJWXHPNG-MRXNPFEDSA-N 445.510 4.309 10 20 IICD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc2c(c1)CCCN2C 746812142 XYHMRSPFHURILH-ULCRDSCMSA-N 437.628 4.042 10 20 IICD C[C@H](NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 752006376 GFSJZZTZHVXLLE-SQJMNOBHSA-N 437.584 4.018 10 20 IICD COc1ccccc1OCC(=O)Nc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 756814724 LCSAYYWCUBUGQE-OAHLLOKOSA-N 437.452 4.500 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 757908205 LNALNOJONQFCTK-UHFFFAOYSA-N 443.551 4.102 10 20 IICD CC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1Br 758163959 PBGJPAGLGZXGMO-UHFFFAOYSA-N 439.114 4.465 10 20 IICD COc1cc(Cl)cc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1O 761198591 QVSBHJRMGNWUFX-ZDUSSCGKSA-N 425.754 4.433 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3F)CC2)cc1F 763989085 VQFRLFQTKHCEMY-UHFFFAOYSA-N 447.482 4.283 10 20 IICD CC(C)C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccn1 765279364 DRARDFSEBHEYFC-HSZRJFAPSA-N 434.563 4.214 10 20 IICD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 765841469 QPCBTJFUNRGWLV-AWEZNQCLSA-N 447.251 4.080 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H]3CCc4c3ccc(Cl)c4Cl)cc2)CC1 765978035 BOCHTMGHHFZIND-IBGZPJMESA-N 425.381 4.005 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1O 774937693 QLFXCQFDVSYIHV-PMERELPUSA-N 426.494 4.370 10 20 IICD COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1O 779065818 RETJOHHVDVHKED-PTNGSMBKSA-N 434.564 4.082 10 20 IICD CCOC(=O)N1CCC([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 779673416 LWGGIICPEQGQOL-LJQANCHMSA-N 430.593 4.075 10 20 IICD COc1cc(Br)ccc1CCC(=O)NCc1ccc(N2CCSCC2)cc1 782549257 GLVWPNFOOSCFEI-UHFFFAOYSA-N 449.414 4.260 10 20 IICD Cc1cc(C)c([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)c1 788564022 RKFOPYCYLXVDAT-LJQANCHMSA-N 435.547 4.116 10 20 IICD Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 788830252 BMWJWKPPIVRADP-HXUWFJFHSA-N 436.508 4.245 10 20 IICD COc1ccc(CNC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)c(O)c1 792941523 HMMAXTXPTRSYGZ-UHFFFAOYSA-N 428.529 4.119 10 20 IICD CC[C@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccc(C)cc1O 794812685 YSUGBSPASBCAAN-NRFANRHFSA-N 426.557 4.124 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)cc2F)C[C@@H](C)O1 798057216 JCJSVSDFHJHCQM-YOQCTACHSA-N 429.511 4.324 10 20 IICD Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)ccc2o1 800635955 CJPYZYJLTRKMLR-AWEZNQCLSA-N 440.931 4.281 10 20 IICD C[C@@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800992983 GPQGPTOAYUWGQF-TZIWHRDSSA-N 442.003 4.061 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 801550682 BEALVINBIBRORM-SZPZYZBQSA-N 447.535 4.113 10 20 IICD Cc1csc([C@@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C2CC2)n1 803678736 IOMBOUCZYSDBBH-NRFANRHFSA-N 440.613 4.104 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3ccc4ncsc4c3)cc2)CC1 805022674 AJLSPGMRFIWXEM-KRWDZBQOSA-N 436.581 4.026 10 20 IICD CCn1c(-c2cccc3cccnc23)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812040515 AURHOUBLGRFSGP-UHFFFAOYSA-N 428.540 4.239 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cc1 814288409 ATXMDTWJGAYPPP-GHOUAXAESA-N 427.547 4.429 10 20 IICD COc1ccccc1CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914438147 NCFDHMRUAROWSQ-NBVRZTHBSA-N 446.619 4.097 10 20 IICD CNC(=O)c1ccc(OC)c(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 916089796 RWBVVBQBGRHVLH-UHFFFAOYSA-N 425.916 4.297 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 916453430 UJBJUQFYRNSICX-GFCCVEGCSA-N 448.406 4.009 10 20 IICD CC[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917020613 IMROAYSNGWRZML-CBGDNZLLSA-N 445.604 4.126 10 20 IICD Cc1ccc([C@H](C)N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917059636 ARICQDJZMYVGTC-UFYCRDLUSA-N 427.564 4.057 10 20 IICD C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918118944 WKDJLPWXWCAENM-XLIONFOSSA-N 434.540 4.037 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 918127491 SNDFRWYWNICYKJ-VXKWHMMOSA-N 429.561 4.098 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCc1cnn(C)c1 919792810 IJBWGDIXEMNHST-IBGZPJMESA-N 431.462 4.415 10 20 IICD Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919969745 YCXDECNVEKHZTF-GOSISDBHSA-N 428.548 4.302 10 20 IICD C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1)c1ccccc1 919970315 VCMVMAKBNNBHPH-HXUWFJFHSA-N 445.563 4.360 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 921280801 VLEOTTLSBKNESM-UHFFFAOYSA-N 445.479 4.282 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@@H]2CCCC[C@]21c1ccccc1 1323426573 DCBPNDIWDKQSPM-LVXARBLLSA-N 437.559 4.398 10 20 IICD CCc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1S(N)(=O)=O 72043713 RIDHNZCETBZKTF-UHFFFAOYSA-N 431.945 4.210 10 20 IICD Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 248124810 ZNWORYXZQJBRPO-UHFFFAOYSA-N 434.521 4.444 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCSc4c(F)cccc43)cc2F)CC1 303356947 ZRPKRFFRWMPGMU-FQEVSTJZSA-N 446.567 4.143 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1F 726248749 AMQUCQFZVURBMS-UHFFFAOYSA-N 438.478 4.283 10 20 IICD COc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1N1CCCCC1=O 726460444 BUTQRIPDCYGZTK-UHFFFAOYSA-N 426.586 4.025 10 20 IICD O=c1c(Cl)c(NCc2ccc(N3CCCC3)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 726593662 MQNBHUMRSYYHCZ-UHFFFAOYSA-N 425.876 4.006 10 20 IICD CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1[N+](=O)[O-] 726628598 ZJYGXCFDQCJUDF-YVLHZVERSA-N 427.507 4.223 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1 729328557 RRQFCBCJZHLJOM-UHFFFAOYSA-N 425.916 4.285 10 20 IICD CCN(C(=O)Cc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1)c1ccccc1 729560596 WDZRFKPRGUQZML-UHFFFAOYSA-N 433.508 4.318 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2F)CC1 730134343 YPTWWBGHVVBXEN-JOCHJYFZSA-N 428.527 4.153 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C3(c4ccc(C)c(OC)c4)CCC3)cc2F)CC1 730194757 PAPULFFCWVIOGV-UHFFFAOYSA-N 439.575 4.023 10 20 IICD Cc1nc(C(=O)NCCCSc2nccs2)nn1-c1c(Cl)cccc1Cl 733975142 XBLNVOMTUZZHLU-UHFFFAOYSA-N 428.370 4.251 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 734645719 JLKHEXROHDSRDV-UHFFFAOYSA-N 434.515 4.452 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl 734701568 FQCLADHYLXIUQS-UHFFFAOYSA-N 438.753 4.040 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c(C)n1-c1cccc(Br)c1 735331676 QKMKZUZNOQPCJY-UHFFFAOYSA-N 438.325 4.395 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 736403295 RXCNTISJVPUTLY-UZUQRXQVSA-N 445.991 4.124 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)cc1 737078578 BCCAQOUHUWJUFJ-UHFFFAOYSA-N 427.904 4.018 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc(OC)c1OC(F)F 742649079 JJHTUFUKJIZFPB-UHFFFAOYSA-N 434.483 4.472 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccc(OC(F)F)cc2)NC(=O)OC(C)(C)C)cc1 742752823 HNNQCDSWELLBQC-IBGZPJMESA-N 449.498 4.350 10 20 IICD C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Oc1ccccc1F 743677431 DGCAFLDXKIWUQR-HOTGVXAUSA-N 437.462 4.163 10 20 IICD CCc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1-c1ccc2c(c1)OCO2 743780868 LPNYEEJAUSEHRA-UHFFFAOYSA-N 429.480 4.423 10 20 IICD CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 743918662 YYWJIQKTWIMRID-UHFFFAOYSA-N 429.973 4.472 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CC3CCCCC3)cc2)C1 747301391 SCLVJVCQTZKKAS-FYYLOGMGSA-N 426.605 4.033 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1 752686013 FFTVVACQLWKIRF-UHFFFAOYSA-N 425.573 4.180 10 20 IICD C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756476867 WISWPRJRUVWLBT-RFAUZJTJSA-N 433.115 4.441 10 20 IICD C[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)c(Cl)c1O 756556944 YHWRLKQDZSSNHA-YOEHRIQHSA-N 436.383 4.247 10 20 IICD C[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)c(F)cc1O 756593669 LVILLCXMQQCVEC-ABKXIKBNSA-N 446.700 4.103 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 758415102 FAZAQKRNFIXWGY-YQNUULROSA-N 441.530 4.235 10 20 IICD COc1cc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc(OC)c1OC 759226235 WQDHCXBTLNZZFY-UHFFFAOYSA-N 448.519 4.467 10 20 IICD COc1cc(N2CCN(C(=O)Nc3sc(C)nc3CC(C)C)CC2)cc(OC)c1OC 759995120 VELGQDTTXYEUHZ-UHFFFAOYSA-N 448.589 4.030 10 20 IICD COc1cc(Cl)cc(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O 761191926 GBYHHKBNVLFZSN-MRXNPFEDSA-N 442.947 4.291 10 20 IICD CCCNC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1Cl 765260849 WSQPATCBRIEIIV-UHFFFAOYSA-N 440.725 4.270 10 20 IICD C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N2CCCCC2)c(F)c1 765329827 ICXXSLQTKRQJEN-IBGZPJMESA-N 425.548 4.139 10 20 IICD C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 765361067 YCOHKJGOZWDBCM-UUOWRZLLSA-N 447.982 4.040 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H](CN1CCCCC1)c1ccccc1 765501371 RZNOGOBMLLOTTI-IBGZPJMESA-N 432.362 4.181 10 20 IICD CCC1CCC(N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)CC1 766881106 ZOZVVJSRGVPWEL-JGBTYHIZSA-N 426.605 4.031 10 20 IICD COc1cccc(CN2CCC(Oc3ccccc3I)CC2)c1O 769533362 NMHUWJZFGYPYKW-UHFFFAOYSA-N 439.293 4.049 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1Br 771940720 VRUMUNIDXUZJON-UHFFFAOYSA-N 427.339 4.057 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccccc1COCc1ccccc1)c1ccc(N(C)C)cc1 773855822 HEFKMZCMZURJKO-IBGZPJMESA-N 431.536 4.285 10 20 IICD CC[C@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)ccc1O 775546462 ITTIOEADRKMHEY-FPOVZHCZSA-N 433.390 4.352 10 20 IICD Cc1cc(Br)cc(CNc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1O 775755559 MDPFWFICTBYSQB-UHFFFAOYSA-N 441.391 4.293 10 20 IICD CSc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 776047206 CBPIMKNOTDGTHH-HNNXBMFYSA-N 449.523 4.042 10 20 IICD C[C@@H](NCc1cc(Br)cc(Br)c1O)[C@H](O)c1cccc(F)c1 776230731 LDYARDSGCAZLMK-PSLIRLAXSA-N 433.115 4.268 10 20 IICD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCCCSc1nccs1 780512559 WPZHDZTZLHSLFZ-LJQANCHMSA-N 441.578 4.009 10 20 IICD COc1cc(Br)cc(CN[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O 782540410 VXJYYBYPINKDTP-GJZGRUSLSA-N 429.355 4.089 10 20 IICD O=C(Nc1cccc(CCN2CCCC2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895869 GXHDTYWFBPHBSL-UHFFFAOYSA-N 449.595 4.331 10 20 IICD O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897640 ZLCZPMKSAHRYEX-UHFFFAOYSA-N 436.430 4.433 10 20 IICD CCC(CC)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 788236918 YXLSISOSAOWNPA-HSZRJFAPSA-N 439.625 4.150 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(CC(F)(F)F)CC3)cc2F)C[C@@H](C)O1 790670392 BNSQNBGBRFJNOW-HUUCEWRRSA-N 431.474 4.313 10 20 IICD O=C(NC[C@H]1CCCN(Cc2cccc(Br)c2O)C1)OCc1ccccc1 793299142 QFPLYRLKFKTYIF-QGZVFWFLSA-N 433.346 4.293 10 20 IICD Cc1cc(C(=O)COC(=O)C2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1cccc(F)c1 795957054 HJDLNGZDIAWAHR-UHFFFAOYSA-N 440.515 4.044 10 20 IICD Cc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(-c2cnn(C)c2)c1 801647125 CQAZGAVLLRSPOB-GRSHGNNSSA-N 435.530 4.500 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)cc1 802341971 KSISETSDUURXNH-HXUWFJFHSA-N 442.535 4.015 10 20 IICD CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 806513048 YDXJXBWTFCFYNF-UHFFFAOYSA-N 434.536 4.011 10 20 IICD CN(Cc1ccccc1O)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 807437066 QEQMQFWHPOFYPO-HXUWFJFHSA-N 425.529 4.068 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CCC[C@H]5CCCC[C@H]54)n3)CC2)cc1 809464627 JFKLIWLACCJFHB-STZQEDGTSA-N 438.572 4.043 10 20 IICD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 809540343 RJOVMDSMMIHFJK-IBGZPJMESA-N 435.593 4.090 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(C(F)(F)F)s1 812317144 CRGDXGKCISJRSD-UHFFFAOYSA-N 448.469 4.462 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](c3ccccc3)c3ncc[nH]3)cc2F)C[C@@H](C)O1 816890921 CEXUQIGCVSVUHX-OPYAIIAOSA-N 436.531 4.001 10 20 IICD C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 857439456 NKVDSVJQXWVJKH-OAHLLOKOSA-N 440.437 4.056 10 20 IICD CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 915865471 VWATVPGNVGWYNE-OAQYLSRUSA-N 434.496 4.009 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl 917658066 MYFIEPDACKLDHV-UHFFFAOYSA-N 427.973 4.132 10 20 IICD Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2C)cc1 917713226 JQPMIZQDDYCRIY-ROUUACIJSA-N 436.531 4.172 10 20 IICD CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918117204 IMTHYVCZPHPMRW-QGZVFWFLSA-N 449.382 4.037 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1115870569 RJUOBWXGNHCNPI-UHFFFAOYSA-N 447.560 4.304 10 20 IICD Cc1cc(-c2nnc(CNC(=O)N3CCc4ccccc4C3)o2)c(C)n1-c1ccccc1 1322282436 DJQZMOYFUULXMO-UHFFFAOYSA-N 427.508 4.412 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2c1 1340875402 FYFJRYQMGNYSSF-GASCZTMLSA-N 425.504 4.168 10 20 IICD COCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC1 1790691872 LDFZGEBMRRLURV-UHFFFAOYSA-N 431.536 4.488 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)C(C)C)[C@@H]2c2cccnc2)cc1 1806265111 HSLCBJUDIIIJSZ-NOZRDPDXSA-N 444.579 4.465 10 20 IICD Cc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1 110150662 JDPCUEQKMMBROY-UHFFFAOYSA-N 429.992 4.322 10 20 IICD O=C(Nc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1)c1ccc(F)cc1 237820978 LVBAHVNEDMDNBY-UHFFFAOYSA-N 437.490 4.344 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2I)cc1F 303294637 BSXALKNOLMKLDA-UHFFFAOYSA-N 444.263 4.346 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 465619431 QQJYFEVMPCAUAB-UHFFFAOYSA-N 434.546 4.063 10 20 IICD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 590656365 UXIUBFGRDQWDOI-UHFFFAOYSA-N 437.540 4.014 10 20 IICD COc1ccc(/C=C\C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726566639 XLAQJPLFSCWXBY-WMZJFQQLSA-N 432.467 4.104 10 20 IICD COCCN(Cc1ccc(C)cc1C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 726713153 KNWHKUDCHUKBHT-UHFFFAOYSA-N 425.573 4.139 10 20 IICD COc1ccc2c(c1)CCCN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)C2 728751284 OPYXYJMYPGAOCJ-UHFFFAOYSA-N 445.510 4.423 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc1 728754459 UNXJXHRXWGFJQY-UHFFFAOYSA-N 425.891 4.467 10 20 IICD CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3cccc(OC)c3O)cc2)cc1 729549903 XBDVORZAXZPISP-UHFFFAOYSA-N 435.480 4.374 10 20 IICD Cc1ccc(Br)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731131594 OLBRMVNGFBCYQE-UHFFFAOYSA-N 444.373 4.249 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1F 731404915 HYZZNRBIBFWYST-FQEVSTJZSA-N 440.523 4.313 10 20 IICD CN(C)c1ccc(CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1F 731474565 SLFGBISERGIWEK-UHFFFAOYSA-N 444.551 4.195 10 20 IICD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)/C=C/c1cnc(C)s1)CCC2 732736901 CPTCXRLMOVZGMX-CMDGGOBGSA-N 438.505 4.403 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 734405095 BNSSYOSYKPIWCQ-UHFFFAOYSA-N 447.501 4.248 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@H]1c1c(F)cccc1F 734771266 RXCURSIECNIFLO-HZPDHXFCSA-N 440.412 4.240 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735326586 QEEWLLVQZQTPCQ-UHFFFAOYSA-N 441.441 4.266 10 20 IICD Cc1cc(C(=O)N2CC[C@H](CN3CCCC3)C2)c(C)n1-c1ccccc1Br 739786648 SITAJILEVLJOKQ-GOSISDBHSA-N 430.390 4.415 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(SC)cc1OC 741300767 MQLKGCXMBMWARU-VCHYOVAHSA-N 432.592 4.265 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC(F)F)OCO4)SC2=S)cc1 741853296 VGJVIYFRMLYCQK-APSNUPSMSA-N 437.445 4.431 10 20 IICD CN(C)c1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1F 742385281 VQRWKTDKFRGUPK-HSZRJFAPSA-N 448.510 4.453 10 20 IICD CCOc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC 743613239 DZPUADHGCKAHPT-KRWDZBQOSA-N 449.498 4.164 10 20 IICD COc1cccc(OCCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743625180 QUDRJZAZMYVZNI-KRWDZBQOSA-N 449.498 4.034 10 20 IICD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCc3cccc(OC)c3O)s2)cc1 745821397 QGTMGQAALLJXGP-AWEZNQCLSA-N 427.526 4.402 10 20 IICD CC[C@@H]1CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CC[C@@H]1c1ccccc1 746382454 NIXOWTLHHZVWSE-RLWLMLJZSA-N 436.596 4.443 10 20 IICD CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 746953860 WKRHLIDMXRSSTE-INIZCTEOSA-N 449.382 4.037 10 20 IICD CCn1c(/C(Cl)=C/c2ccc(Cl)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 748999982 TWYCALFMXUHLDS-ZROIWOOFSA-N 425.341 4.092 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)c2C)c1 749334611 JFKFEVYIMWOBAB-UHFFFAOYSA-N 425.554 4.228 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2cc(Br)ccc2OC(F)F)cc1 749920319 SSDXMPVXZULRPS-UHFFFAOYSA-N 428.277 4.116 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1c(F)cccc1Br 752723421 WRIMSFSKFBVXPR-UHFFFAOYSA-N 448.336 4.176 10 20 IICD Cc1ccccc1[C@H](CN1CCOCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 753659559 URZYVXKCCYAXPX-DEOSSOPVSA-N 445.554 4.228 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)cc(Cl)c1O 756398940 KGKVSXNLVOPKGG-NSHDSACASA-N 427.726 4.357 10 20 IICD C[C@@H](NCCCN(C)CC(F)(F)F)c1cc(Br)cc(Br)c1O 756414056 HNUYJIQMLBISPY-SECBINFHSA-N 448.121 4.452 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 758573291 PNTGNDWMSWDQDC-UHFFFAOYSA-N 429.520 4.300 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(-c4nc(C)co4)c3)cc2F)CC1 758662118 VTHVPKPRDGZLHZ-UHFFFAOYSA-N 437.519 4.253 10 20 IICD COc1cc(N2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)cc(OC)c1OC 759239692 OMEDRSJVDODHRT-UHFFFAOYSA-N 426.557 4.117 10 20 IICD Cc1cc(F)cc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1 761597760 ZNBGISBVXLWJFZ-UHFFFAOYSA-N 431.470 4.419 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(OCCN(C)C)cc3)cc2F)C[C@@H](C)O1 765117484 GDFZFHOOTYXKPT-HSALFYBXSA-N 429.580 4.231 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H](c1cccc(F)c1)c1ccccn1 765532390 GBANYOQZLMAGDV-SFHVURJKSA-N 430.277 4.278 10 20 IICD C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765645261 RNFRXPSEUKOYPV-FDDCHVKYSA-N 430.543 4.152 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)CC2)cc1 765998282 RZNONWKGLGRDTO-SFHVURJKSA-N 435.490 4.431 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(-c2cnn(C)c2C)no1 767072083 PTRHQJXOGLMUMY-UHFFFAOYSA-N 437.525 4.330 10 20 IICD CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773844773 GWEPHKRPOYTKIA-HNNXBMFYSA-N 445.585 4.005 10 20 IICD COC1(CO)CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)CC1 773942832 AQDNDKPICXFRRX-UHFFFAOYSA-N 425.356 4.057 10 20 IICD C[C@H](NCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)c1ccc(N2CCOCC2)cc1 775254826 JWYRYXXFFPOQPK-CVEARBPZSA-N 437.613 4.086 10 20 IICD C[C@H](NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(N(C)C)cc1 776166624 KHBRKAPOCGFYGV-XLNZFTOWSA-N 425.573 4.438 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 779474628 CSUMNOVLKYSBJP-OWBHPGMISA-N 425.488 4.339 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)n1-c1cccc(Br)c1 782866374 CHGVIFRRYKJJQS-QGZVFWFLSA-N 433.346 4.272 10 20 IICD Cc1nnc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc2)o1 783482820 LASBCQQCVUTNDJ-INIZCTEOSA-N 441.491 4.360 10 20 IICD CCCCOc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c(Cl)c1 786255327 NARKDIVMNSQNRC-UHFFFAOYSA-N 443.975 4.117 10 20 IICD COCCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CC[C@H](C)C1 790283840 LDIFZKISKHDMJN-LPHOPBHVSA-N 425.520 4.103 10 20 IICD Cc1ccoc1C(=O)NCCCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 799994715 PRFXTEFVABJOIM-INIZCTEOSA-N 446.979 4.097 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3nc(C4CC4)cs3)cc2Cl)C1 807073696 IIZQHKSUHKLHRE-CYBMUJFWSA-N 432.977 4.165 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCSC)C2=O)cc(OC)c1OCC(F)F 809144935 UPVONGTZBBNDHG-NTEUORMPSA-N 449.566 4.302 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCSC)C2=O)cc(OC)c1OCC(F)F 809144937 UPVONGTZBBNDHG-ZROIWOOFSA-N 449.566 4.302 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)C2CC2)cc1 914728149 HCCMBGPXRWSSNV-UHFFFAOYSA-N 429.446 4.157 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1 916046025 HXESWPVYSDUUBW-UHFFFAOYSA-N 439.947 4.232 10 20 IICD O=C(Nc1ccccc1C(=O)N1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916670825 NRDTVKUHFGUVSK-FQEVSTJZSA-N 437.540 4.231 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2F)C[C@H](C)O1 917167820 BXXLJTVPXBWYRO-KBPBESRZSA-N 441.330 4.441 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 918305440 HSRNKWFQXLPOQN-UHFFFAOYSA-N 434.565 4.037 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)n1-c1ccc(F)cc1 918611201 CAIOJMIFFWECDD-QGZVFWFLSA-N 449.526 4.382 10 20 IICD CCCCNC(=O)C1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 918691172 PZCIECJTDQRQSH-UHFFFAOYSA-N 429.992 4.445 10 20 IICD COC(=O)CC1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 918747968 USLYUULJPJEJHE-OAQYLSRUSA-N 434.496 4.009 10 20 IICD O=C(Nc1ccc(F)cc1)c1nnc(CN2CCCc3cc(OC(F)F)ccc32)s1 919803121 TWQMHBLRFQAIQY-UHFFFAOYSA-N 434.443 4.484 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(Nc2ccccc2Cl)CC1 1318164458 ZQZMPJBHQLOQIC-UHFFFAOYSA-N 446.954 4.102 10 20 IICD COc1cc(NC(=O)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc(OC)c1 1318989550 BKYQJHWBWOZVFW-UHFFFAOYSA-N 441.915 4.133 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 16134947 KSCDWRUQMSUOTL-UHFFFAOYSA-N 425.529 4.142 10 20 IICD Cc1cc(Br)c(S(=O)(=O)N(C)Cc2ccccc2O)cc1Br 387458927 SOFKCTHIYBBRQW-UHFFFAOYSA-N 449.164 4.046 10 20 IICD CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 609520420 ABPUFWFSTCSKJC-XMMPIXPASA-N 436.552 4.151 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1 726695271 PVEWLCPBCRTYSR-UHFFFAOYSA-N 443.454 4.437 10 20 IICD CC(C)(C)Sc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 726853893 XKYXGGANYAUTDR-IBGZPJMESA-N 442.581 4.429 10 20 IICD COc1ccc(N(Cc2cccs2)C[C@@H](O)COc2ccc(NC(C)=O)cc2)cc1 727140351 XPRDPFZEMHERSZ-HXUWFJFHSA-N 426.538 4.162 10 20 IICD CCC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccn1 729656754 LCDZHEAQJICTNK-IBGZPJMESA-N 429.432 4.036 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccc(C)cc4F)c4c3CCC4)CC2)cc1 730480980 GKRMNZMSVAJXTF-UHFFFAOYSA-N 448.542 4.170 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 732227608 DKUXUZJIGUTAKU-ACRUOGEOSA-N 435.612 4.319 10 20 IICD COCCN(C(C)=O)c1nc(COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 733813395 HZHSPXNIUGDAPE-UHFFFAOYSA-N 445.516 4.046 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1 734695706 ZTLFMIRCLZLJHV-IAGOWNOFSA-N 434.492 4.357 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3CN(C)C(=O)OC(C)(C)C)ccc21 742882152 GJNCAEOZNXOEBY-FQEVSTJZSA-N 443.588 4.376 10 20 IICD COC(=O)CCc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743149913 OHGMLAKSJRRLBZ-SFHVURJKSA-N 447.482 4.184 10 20 IICD CCN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)c1ccc(OC)cc1 744392089 SEFOQZNSWUXWGF-UHFFFAOYSA-N 427.526 4.301 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 746615895 QFWQGDQKALXIQA-UHFFFAOYSA-N 445.463 4.281 10 20 IICD CO[C@@]1(C)CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 752835581 JTIBILXLYHTTKR-LVXARBLLSA-N 449.599 4.394 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752850243 IQCFZQUBLFMCFE-QPPBQGQZSA-N 449.599 4.250 10 20 IICD COc1ccc(N2CCN(Cn3nc(NC4CCCCC4)sc3=S)CC2)cc1F 754014338 SNHUNHARSZNGLA-UHFFFAOYSA-N 437.610 4.346 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754541990 QPEAGKAKLAHVMV-UHFFFAOYSA-N 449.466 4.086 10 20 IICD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(N2CCCCC2)cc1 755250023 VMGPMDXDJDGLNS-UHFFFAOYSA-N 432.318 4.207 10 20 IICD CSc1nnc(CCCN[C@H](C)c2ccc(Br)cc2O)n1CC(C)C 756572411 GJVBMCGZCPFFDU-CYBMUJFWSA-N 427.412 4.408 10 20 IICD COc1cc(N2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc(OC)c1OC 761220205 WHKAUAPPPQRYLC-UHFFFAOYSA-N 429.517 4.066 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(-c2cccnc2)s1 761479033 YQSWKMXELFHFHF-HNNXBMFYSA-N 430.480 4.205 10 20 IICD Cc1c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 765332197 HNACPVFPXANRQQ-IRXDYDNUSA-N 425.964 4.478 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)cc2)CC1 765453732 SBELZYLRGZYFQE-UHFFFAOYSA-N 446.473 4.471 10 20 IICD Oc1c(Br)cccc1CNc1nc2ccccc2n1CCCn1ccnc1 766108682 GMNHDRJTBNZTSE-UHFFFAOYSA-N 426.318 4.403 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)ccc21 767676423 SISOCLVIVWVVAZ-UHFFFAOYSA-N 435.914 4.192 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c2ncccc12 770732621 YLYDMOACXOVXPR-UHFFFAOYSA-N 446.551 4.267 10 20 IICD Cc1cc(C(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)c(C)n1-c1ccccn1 772752624 DTCHZXAKVZLPDV-IBGZPJMESA-N 425.536 4.388 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(N(C)C)cc1 782126590 XNIPXZKFXIKCSA-CQSZACIVSA-N 442.972 4.269 10 20 IICD COc1ccc(OC(C)C)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782895538 ADRAETNSLPPBAX-UHFFFAOYSA-N 440.540 4.488 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n(Cc2ccccc2)n1 782897503 XWLROFRMRCCWIP-UHFFFAOYSA-N 446.551 4.245 10 20 IICD O=C(N[C@H](c1ccccc1)c1ccco1)C(=O)N(Cc1ccco1)Cc1ccccc1O 785552732 VSBGTQSDXYBUFT-HSZRJFAPSA-N 430.460 4.013 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc(Br)c1OC 785982616 PMIZRJJUUDCEQF-UHFFFAOYSA-N 433.346 4.387 10 20 IICD C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NOCCO)c2C1 787294208 SNUNXPILTAMSFU-PJCCXHTNSA-N 431.536 4.077 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCCn1cc(Br)cn1 792225601 JXMVZJWPWFDUDP-UHFFFAOYSA-N 448.409 4.258 10 20 IICD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1OC(C)C 795354877 VDYAPBJVSDFHOR-UHFFFAOYSA-N 434.297 4.074 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2C)c1 796335853 XQFUHBBPWILRQJ-OXQOHEQNSA-N 440.531 4.491 10 20 IICD Cc1ccc(-c2cccnc2)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 797653810 JEFMPOXTVKYEQV-JOCHJYFZSA-N 443.551 4.080 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 798155882 ZRBWLXXLPWPZHP-UHFFFAOYSA-N 435.502 4.107 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2C)c1 799024580 VRPVFPULUDXDDH-UHFFFAOYSA-N 435.490 4.242 10 20 IICD CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 806846281 ITQBDQXLNWIXMV-NHCUHLMSSA-N 432.351 4.169 10 20 IICD C[C@@H](NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(N(C)C)cc1 811905409 CVMYYZUSIIPKGP-NQIIRXRSSA-N 444.620 4.492 10 20 IICD COc1cccc(C(N)=O)c1OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 829747215 MXVRVUJIGFQIPG-UHFFFAOYSA-N 444.434 4.065 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 918183240 JVTAAQNNWVPNGM-CQSZACIVSA-N 439.453 4.366 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)c1C 918573771 LCDNGMDIECNUSL-QGZVFWFLSA-N 425.554 4.265 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccccc2)c2ccccc12 919767187 HUNFBQJOAUEYDV-UHFFFAOYSA-N 425.532 4.456 10 20 IICD COc1ccc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(OC)cc2OC)cc1 1320180652 URYSXMGHABRHED-DUCFUSIYSA-N 435.476 4.043 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2n[nH]cc2Br)cc1 1348619301 HMJKNWGDYHOUDB-UHFFFAOYSA-N 429.318 4.094 10 20 IICD C/C(=C\c1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1792535743 GSTUIXPNHMJTSL-NOFFMGQBSA-N 446.956 4.168 10 20 IICD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCCC1 1814531858 WXNGDFBHTUETJR-INIZCTEOSA-N 446.935 4.361 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nn3cnc4sc5c(c4c3=O)CCCC5)c2C)cc1 27152955 UJVPJKOOKDPEMM-UHFFFAOYSA-N 448.548 4.137 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4C(=O)CCC4=O)c(C)c3)ccc21 303486865 KCFZKPZVWKCOME-UHFFFAOYSA-N 433.508 4.119 10 20 IICD Cc1ccc(-c2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)n[nH]2)cc1 726564716 RBTDAUBPLAFPKJ-UHFFFAOYSA-N 426.467 4.385 10 20 IICD CCOC(=O)N(C)C1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 726954855 VZKQQHUXUHNACY-UHFFFAOYSA-N 431.964 4.369 10 20 IICD CS(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)c1 727090828 CCUIVIVJBHVYGQ-UHFFFAOYSA-N 442.924 4.025 10 20 IICD CC(C)[C@H](NC(=O)CN(Cc1ccccc1O)C1CCCC1)c1ccc2c(c1)OCCO2 731845679 GRIUDXHPDYQDFZ-SANMLTNESA-N 438.568 4.422 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 731893516 NSYYZHNPPUGAOS-UHFFFAOYSA-N 434.989 4.396 10 20 IICD COc1ccc(OC(F)F)c(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 733334941 VIHKTSNNLOQJFM-QGZVFWFLSA-N 426.891 4.410 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(Br)cn3)SC2=S)c1 733813551 VBUCEJHBZWMVCS-VIZOYTHASA-N 437.340 4.267 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(OC(F)F)cc1 733836615 OJEPZLWTXDHSCG-SIKIZQCASA-N 433.451 4.377 10 20 IICD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCCSc1nccs1 733972315 CMIHZMGAZOUPLB-NRFANRHFSA-N 441.622 4.278 10 20 IICD CCn1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1 734043045 BJSKYPVQBOBNAN-HNNXBMFYSA-N 431.439 4.340 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 743809048 LUACGZQVPHUTRU-MRXNPFEDSA-N 448.357 4.492 10 20 IICD C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1nnc(-c2cccs2)o1 744474037 NVOLJLBRHDFBJX-GFCCVEGCSA-N 430.441 4.492 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903639 IIRQMPIBLCBAFQ-SFHVURJKSA-N 433.499 4.497 10 20 IICD CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(N3CCCCC3)cc2)Cc2ccccc2C1 746174124 ZYBTXFDXVPDREM-UHFFFAOYSA-N 449.595 4.355 10 20 IICD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 748617926 MDJADZRIOCYYOJ-JXQFQVJHSA-N 443.563 4.013 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 748812150 HHBGJXDVYLJGNA-UHFFFAOYSA-N 439.518 4.484 10 20 IICD CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 751842288 PPQPOFOSKUUVKY-UHFFFAOYSA-N 433.593 4.111 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)n1 753903265 UBTCJKLSNSDEHD-UHFFFAOYSA-N 447.539 4.108 10 20 IICD CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C1\SC(N2CCOCC2)=NC1=O 754684173 DYYGVSPSOUMQJF-ATVHPVEESA-N 430.961 4.011 10 20 IICD CCCc1c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1-c1cc(C)ccn1 760970293 MWXUBLXEPXPMDA-HXUWFJFHSA-N 449.555 4.447 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2F)C[C@@H](C)O1 764353650 ISJQWVOVMWCWJS-JQVVWYNYSA-N 440.563 4.225 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)cc2F)C[C@@H](C)O1 764852056 GGHCCHNXRDATTB-MTJIALIYSA-N 441.330 4.096 10 20 IICD C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1Cl 764928026 PGLHJHZIGKXQQS-AWEZNQCLSA-N 429.870 4.364 10 20 IICD C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCCCC2)cc1 764946354 OXDKCEUEOSNXKZ-QFIPXVFZSA-N 434.628 4.305 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)ccc2Cl)nc1-c1ccccc1 765535863 QUAUFAKCHVWFLG-UHFFFAOYSA-N 436.942 4.288 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc(OC)c1OC(F)F 767381471 AOHRVMFSIALNLA-UHFFFAOYSA-N 449.498 4.088 10 20 IICD C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]2CCCC[C@H]12 769689912 PCFFCUDVIHZJSX-QGPMSJSTSA-N 434.583 4.295 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cc(NC(C)=O)cc(C(F)(F)F)c3)c2)CC1 770151994 FAATZTMOJXZRJC-UHFFFAOYSA-N 434.462 4.058 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2nccs2)sc(C)c1-c1ccccc1 773505320 UOQDHGWLRZTYSB-UHFFFAOYSA-N 430.507 4.152 10 20 IICD CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc(Br)ccc1O 775510260 YXLLUSHWCBDMQC-DZFGPLHGSA-N 433.390 4.078 10 20 IICD CN1Cc2ccccc2[C@@H](NCc2cc(Br)cc(Br)c2O)C1 776252481 FDCFTJRCFHRKJD-INIZCTEOSA-N 426.152 4.194 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(C(F)F)c2)cc1 782423756 KAADDGPGDDIQRM-UHFFFAOYSA-N 427.451 4.451 10 20 IICD Cc1nc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)ccc2n1C 783483059 MUBCBDYYPHOJSV-MRXNPFEDSA-N 427.508 4.197 10 20 IICD CCSc1cccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c1 785191483 CBWMRBOWMSCDFQ-UHFFFAOYSA-N 437.359 4.254 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nn(-c3cccc(F)c3)cc2O)cc1 785810553 BGMXHIUGECARCE-UHFFFAOYSA-N 434.471 4.219 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 787419214 WGKUABLZDFKGCW-GXTWGEPZSA-N 429.464 4.319 10 20 IICD COC1(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCC1 791316573 ZXOLUZUNOSFDMB-QINSGFPZSA-N 425.597 4.232 10 20 IICD CN(C)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(C(F)(F)F)c1 794933001 DHXLKZZQQVMVLV-UKTHLTGXSA-N 429.398 4.124 10 20 IICD COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)CC2)cc1 799719676 UULAERZFUXNRRE-UHFFFAOYSA-N 444.457 4.171 10 20 IICD COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)O1 801600325 OITLIPXAOWPKBW-AEMJNJESSA-N 436.512 4.224 10 20 IICD Cc1ccccc1C1(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 804353427 KKBTVWAGUKCRFE-UHFFFAOYSA-N 445.563 4.031 10 20 IICD Cc1cc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1Cl 807580318 QUYIYFYQJVXJIU-UHFFFAOYSA-N 439.943 4.153 10 20 IICD CCCOc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1 809455251 VHCNHABHQMQNCA-UHFFFAOYSA-N 437.584 4.049 10 20 IICD CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 813313925 DSPAYNYZCREWER-QHCPKHFHSA-N 427.508 4.486 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 815635823 JUNZCQSVLXJWJN-MSOLQXFVSA-N 427.520 4.421 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc2c(cc1Cl)OCCCO2 916625701 LROIPTNDHAHFSS-UHFFFAOYSA-N 433.961 4.376 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3ncc(-c4ccccc4)o3)cc2F)C[C@H](C)O1 917711466 GOXCVBCKTSEXAU-ROUUACIJSA-N 437.515 4.343 10 20 IICD C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971625 UIPZXHHWWNLWJV-QGZVFWFLSA-N 428.548 4.168 10 20 IICD O=C(NCCCSc1nccs1)c1nn(-c2ccccc2F)cc1Br 1116067686 AOPSOJVFEJCGGY-UHFFFAOYSA-N 441.351 4.143 10 20 IICD Cc1ncncc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 1317946966 QUFNWQFNMLYIPN-HNNXBMFYSA-N 429.423 4.222 10 20 IICD CCc1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1S(N)(=O)=O 1324502360 NOQULXUVMSTTLV-UHFFFAOYSA-N 431.945 4.210 10 20 IICD Cc1cccc(-n2c(C)cc(-c3nnc(Cc4csc(N5CCOCC5)n4)o3)c2C)c1 1328196713 MFMHHOAJVCUWCZ-UHFFFAOYSA-N 435.553 4.336 10 20 IICD Cc1cc(C)nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c1 1845398405 JWHLKYAKRIDXMU-UHFFFAOYSA-N 442.563 4.237 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ncnc2sc3c(c12)CCCC3 18354953 RWUDICDGMBUIDD-UHFFFAOYSA-N 426.611 4.387 10 20 IICD COc1cc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)cc(OC)c1OC 29922890 FUAOFJSWQOQXSF-UHFFFAOYSA-N 440.418 4.002 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2csc(-c3ccccn3)n2)cc1 302645401 CDAOFUKPLQDEQV-NRFANRHFSA-N 436.581 4.021 10 20 IICD Cc1ccc2c(C3=CCN(c4ncc(C(=O)N5CCOCC5)cc4Cl)CC3)c[nH]c2c1 591806566 NGMKDZPYFHZGIJ-UHFFFAOYSA-N 436.943 4.291 10 20 IICD C[C@@H]1CN(Cc2cccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)CCO1 726241422 HCBACSUIAKKSOY-HXUWFJFHSA-N 449.551 4.118 10 20 IICD CN1CCC(N(C)c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)CC1 726472997 XSSGHQMABKSVNO-UHFFFAOYSA-N 425.646 4.030 10 20 IICD CC(C)(C)OC(=O)NCCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 729059981 IULXFEKGUCIMLS-UHFFFAOYSA-N 425.489 4.072 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)c2C)cc1 729389770 DTGAUOFFYSPFAE-IBGZPJMESA-N 441.572 4.432 10 20 IICD CCC(CC)c1nnc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)s1 730133187 KYLTVRUMSINJCA-UHFFFAOYSA-N 434.585 4.044 10 20 IICD COC(=O)CCOc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731108244 PZPXPFRUWMGDDT-UHFFFAOYSA-N 425.529 4.187 10 20 IICD C[C@@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Oc1ccccc1 733763369 RFINDLYPRLPPNJ-VUODPORTSA-N 446.619 4.313 10 20 IICD O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 735917298 LLDGVNGPNDGZKW-UHFFFAOYSA-N 444.507 4.373 10 20 IICD CC(=O)N[C@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)cc1 735926772 DOGFXONZHKKWLT-OAQYLSRUSA-N 426.900 4.435 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)N[C@H]3CCc4ccccc4C3)CC2)cc1 742991979 DHGQIVRFRPIMJQ-IBGZPJMESA-N 431.552 4.278 10 20 IICD O=C(NCCc1nc2ccccc2s1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 746414748 SUGSOJCDBQMREU-OAHLLOKOSA-N 446.523 4.408 10 20 IICD Cc1nc(O)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1-c1ccccc1 749912237 XBHZGSRQMCKJTI-IAGOWNOFSA-N 449.526 4.445 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ncc(Cc4ccccc4)s3)CC2)cc1F 753842290 ZEHCTLXBZCEZOL-UHFFFAOYSA-N 426.517 4.236 10 20 IICD C[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(N2CCOCC2)cc1 756017369 JMOUOLFUOHQORM-HNNXBMFYSA-N 432.355 4.262 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1cccc(F)c1)C1CCCC1 757178237 UIINLHAINLKLMB-UHFFFAOYSA-N 443.538 4.498 10 20 IICD COc1cc(N2CCN(Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)cc(OC)c1OC 759876968 DEUCMQPDOILIQL-UHFFFAOYSA-N 426.557 4.162 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 761973482 QOQOIJYBTDDXEJ-DJJJIMSYSA-N 434.920 4.497 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 762664089 JQFPGOKRPVTVAS-XMSQKQJNSA-N 432.971 4.380 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 762907211 JFVNZGGHSUIHGV-HNNXBMFYSA-N 443.594 4.045 10 20 IICD Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 764923478 CIWBXGBGKJXQIQ-CALCHBBNSA-N 434.515 4.135 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc2c1CN(c1ccccn1)C2 765319382 SWPYHEYICIITDY-UHFFFAOYSA-N 439.313 4.392 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1F 766632689 ZXHXNCGQDHASQC-NSHDSACASA-N 436.370 4.139 10 20 IICD COc1cc(Br)cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1O 769304735 CXALDOIRGISGAQ-UHFFFAOYSA-N 437.309 4.153 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1c1cccc(F)c1 769715178 LVAFCWORNCNWSJ-GOSISDBHSA-N 446.525 4.371 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC3 779420053 YFYRNHVDRUESHU-PMACEKPBSA-N 433.552 4.430 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 779528518 KQEJESZXHXRYBP-XBXARRHUSA-N 428.897 4.395 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1)C1CCCCC1 780047582 RHHGUNBTJGJYAU-UHFFFAOYSA-N 443.551 4.167 10 20 IICD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784058947 DBSLRPCZIHSCDO-UHFFFAOYSA-N 437.540 4.024 10 20 IICD Cc1ccc(-n2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cn2)c(C)c1 786207803 PUTMPYYTSODTNZ-UHFFFAOYSA-N 433.556 4.020 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 789838077 MTGVEQPNPNQCAM-INZIPBBXSA-N 438.549 4.299 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)N4CCCCC4)c(Cl)c3)cc2)CC1 789891921 ZCLAHOMGRSUQRI-UHFFFAOYSA-N 426.992 4.330 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 793100752 CKTCHBRGVGQVRD-ZDUSSCGKSA-N 439.912 4.330 10 20 IICD COc1cc([C@@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)ccc1OCCO 796281710 RMVBMDAJLZSSBS-HXUWFJFHSA-N 432.564 4.480 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c(F)c1 798155159 BBNWTDHDLASLFD-UHFFFAOYSA-N 425.894 4.362 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)cc1 806538894 YMZVGGJNLKVINH-UHFFFAOYSA-N 446.429 4.117 10 20 IICD Cc1oc2ccccc2c1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 809498510 LRBMXUQLWRMZQZ-UHFFFAOYSA-N 445.519 4.245 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(Cc2ccc(Cl)cc2)CCC1 813591262 VGERBPSUNRAVKJ-UHFFFAOYSA-N 445.966 4.405 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1OC(F)(F)F 817994600 YTFPMIVYAUBHHI-UHFFFAOYSA-N 444.412 4.238 10 20 IICD C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3c(O)cccc3Br)cc2)C1 863989137 LCJAMLIDXUDSEE-AWEZNQCLSA-N 439.375 4.187 10 20 IICD Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccn2)c(C)c1 917256547 XCVIBFXFNUNBMK-UHFFFAOYSA-N 432.505 4.332 10 20 IICD Cc1ccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1NS(C)(=O)=O 920812717 IGOQRRULVNYAGG-UHFFFAOYSA-N 440.569 4.138 10 20 IICD CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cn1 1319211207 NBIDWLMZIVAPDI-UHFFFAOYSA-N 428.920 4.495 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC2(F)F)cc1 1797739952 PUEHOHZSQVFRNY-GFOJFJKKSA-N 427.495 4.001 10 20 IICD Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 20987678 OKFUDECQYZMYLQ-LFIBNONCSA-N 446.894 4.246 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](c3cccc(OC)c3)c3nccn3C)c2C)cc1 29813906 QKCZLAQIMIPHTL-DEOSSOPVSA-N 444.535 4.364 10 20 IICD COc1cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 60157436 SCFQDTRUTZFMMW-UHFFFAOYSA-N 427.501 4.311 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc2F)C[C@H](C)O1 108286256 GROCISFUYQGXER-HOTGVXAUSA-N 442.922 4.208 10 20 IICD CSc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1[N+](=O)[O-] 195633943 DKEFUOYPJXHPFK-UHFFFAOYSA-N 426.542 4.101 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(OC[C@H]2CCCO2)c1 303023015 RMHRZZSZFPBKFN-RUZDIDTESA-N 435.568 4.029 10 20 IICD Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(C)n1-c1ccc(F)cc1 303791995 FKKXFGFFMCTYQA-UHFFFAOYSA-N 445.491 4.065 10 20 IICD Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)ccc1NC(=O)C1=S=CC=C1 545078663 MJYOEQVAVKFKFN-UHFFFAOYSA-N 434.477 4.069 10 20 IICD Cc1cc(-c2nc([C@H]3CCN(C)c4ccccc43)no2)ccc1NC(=O)C1=S=CC=C1 547052709 GELUHQBKNCUYJU-SFHVURJKSA-N 430.533 4.233 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cn1 726197549 UNCROKGCOYLPTL-RQZCQDPDSA-N 426.479 4.477 10 20 IICD Nc1ncnc2c1ncn2CCCSc1ncc(-c2ccccc2)n1Cc1ccco1 726742969 VWHGKGAJJJFQKC-UHFFFAOYSA-N 431.525 4.096 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)cn1 726985494 AZJISXWTNJBTQE-AUUUKSDWSA-N 428.535 4.054 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3cccnc3)n2)cc1 728839680 WEEPIBLLBMEYOF-UHFFFAOYSA-N 434.487 4.405 10 20 IICD CCn1c(SCC(=O)N[C@H](C)c2cc(OC)ccc2O)nnc1-c1ccc(Cl)cc1 728980101 VOKUBPSKVCXQAQ-CYBMUJFWSA-N 446.960 4.302 10 20 IICD CCN(CC)c1ccc(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1F 731345827 JSCCEDSQEYHDMQ-LJQANCHMSA-N 435.952 4.445 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 735388427 KJYFJTOEUZVEJT-UHFFFAOYSA-N 443.547 4.429 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)c1C 735407667 LHWMQVCTJFXHBN-UHFFFAOYSA-N 433.511 4.453 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC1CCOCC1 738958620 AKZRRNRQSSXWGF-JOCHJYFZSA-N 440.540 4.472 10 20 IICD Cc1noc(C(C)C)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742750358 MHEUCXIUKKONFO-GOSISDBHSA-N 430.549 4.168 10 20 IICD CC(C)CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F 743338828 JMANKYFZGCGPEL-IBGZPJMESA-N 428.504 4.337 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)Oc1cccc(Br)c1 743552908 VFYCIOSPVCAMQF-INIZCTEOSA-N 432.362 4.316 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 747465677 PKKGNIHPYPEUBA-UHFFFAOYSA-N 445.519 4.343 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1 749261093 HCRVAWDTMBFPAR-UHFFFAOYSA-N 428.536 4.206 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)cccc3Br)cc2F)C[C@@H](C)O1 749323635 IOTXBLAPVACUEP-CHWSQXEVSA-N 439.300 4.271 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 750627447 VXHFNCHKDYDNHS-UHFFFAOYSA-N 438.572 4.441 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 750658999 AKIGLGHHOXGTKD-RUZDIDTESA-N 448.611 4.052 10 20 IICD COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F 753861615 SVQOKACOYJFHGN-CQSZACIVSA-N 425.426 4.002 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4ccc(Cl)cc4)n(C)c3=S)CC2)cc1F 754013188 MZOYORJCQRBIRT-UHFFFAOYSA-N 447.967 4.199 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 755221348 XGQNSBWYAWRQIM-UHFFFAOYSA-N 443.657 4.395 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3)CC(F)F)cc2F)C[C@@H](C)O1 759566444 CLTOOMJPUGJBJT-CALCHBBNSA-N 435.490 4.416 10 20 IICD CCc1ccc(-c2noc([C@H](C)NC(=O)N3CCCN(c4ccc(OC)cc4)CC3)n2)cc1 760894073 XZUSEUMAVRBWJL-SFHVURJKSA-N 449.555 4.291 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1 761466100 MKFNVUUJZOWCAV-XJKSGUPXSA-N 433.451 4.427 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 763024840 BBWDNZSXMXSOLB-UHFFFAOYSA-N 430.596 4.261 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c(N)c(Cl)c3)cc2F)C[C@@H](C)O1 763937584 KENMLACORNFEAA-VXGBXAGGSA-N 426.319 4.258 10 20 IICD Cc1onc(-c2ccncc2)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 765683120 DRPSOKLUXKGXEA-MRXNPFEDSA-N 428.439 4.045 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 766362992 UKGHKNCVERVKRV-UHFFFAOYSA-N 434.992 4.014 10 20 IICD COc1ccc(C(C)(C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC 771059383 PWWZOSIMHRWEHT-IBGZPJMESA-N 446.975 4.121 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)c1ccc(N(C)C)cc1 773860093 YQVOBEZRZTYTHA-SNVBAGLBSA-N 442.716 4.124 10 20 IICD CN1CCc2ccc(NC(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)cc21 775987348 OHKOIRHNXQUBCW-QGOAFFKASA-N 443.619 4.361 10 20 IICD C[C@H](NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 777120455 AWPGRAKCJXFBHP-VBKZILBWSA-N 446.872 4.416 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCn1cnc2ccccc2c1=O 777823823 YJMMHVQEPWRMIT-IBGZPJMESA-N 427.504 4.282 10 20 IICD Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)[C@@H](C)C2 779028696 YEZNZZDUZWCNAZ-UQBPGWFLSA-N 431.559 4.274 10 20 IICD O=C(Nc1cc(-c2ccccc2)ns1)C(=O)N(Cc1ccco1)Cc1ccccc1O 784644269 UAEYZUYLUKYGPT-UHFFFAOYSA-N 433.489 4.276 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 799204321 USXDDPNQALMUAW-ATVHPVEESA-N 427.503 4.056 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)c(F)c1 800926836 XGHGRDXGIJQHOY-UHFFFAOYSA-N 442.497 4.257 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(=O)C(C)C)CC1 801873385 PMIDRHCUKMCXNE-UHFFFAOYSA-N 434.588 4.114 10 20 IICD O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804682595 LJGHAAPRKDTLIS-HSZRJFAPSA-N 436.483 4.311 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 805083735 JQRLXMCLAXDKIE-LBPRGKRZSA-N 432.348 4.145 10 20 IICD CC[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1cc(Cl)cc(Cl)c1O 806138161 RWFPAXOZHCLSDQ-LJQANCHMSA-N 438.403 4.132 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccco3)cs2)cc1)C1CCCCC1 806868258 BRVCYCKLVGDYPY-UHFFFAOYSA-N 438.553 4.427 10 20 IICD Cc1cc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 807896070 VBVBZFLDGOEHTR-SFHVURJKSA-N 439.943 4.488 10 20 IICD Cc1nc(C(C)C)oc1COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 813319510 JNHUURIILSWKOE-UHFFFAOYSA-N 434.404 4.147 10 20 IICD O=C(NC[C@H]1CCCCC(F)(F)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 816789575 SEINBRLASSAWMH-ZDUSSCGKSA-N 444.525 4.200 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OCc2ccccc2)nc1 916691219 RPZVGPNMJBOUST-UHFFFAOYSA-N 446.551 4.191 10 20 IICD Cc1ccc2nc(SCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)[nH]c2c1 917169950 OFTLCBKPBYDANU-HOTGVXAUSA-N 442.560 4.033 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2)cc1 918059716 IUTKKLPSSZMRIJ-UHFFFAOYSA-N 436.600 4.103 10 20 IICD Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 919652332 CTXNLMHKWGSDFE-UHFFFAOYSA-N 441.553 4.292 10 20 IICD CC(C)c1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 920880246 FIMXEZYPJJFCLM-GOSISDBHSA-N 436.531 4.462 10 20 IICD Cc1cc(=O)c(C(=O)Nc2c(Cl)ccc3nonc23)nn1-c1cccc(C(F)(F)F)c1 1320978457 MIXNKCLKPAVUMI-UHFFFAOYSA-N 449.776 4.002 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1 1324856880 FYGWMNSINUDXTQ-UHFFFAOYSA-N 448.932 4.082 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccns3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775543 IJCDAYACQLMGQN-UHFFFAOYSA-N 443.912 4.269 10 20 IICD COc1cc2c(cc1NCC(=O)NCC(=O)Nc1cc(C)ccc1OC)oc1ccccc12 11619417 JVDDVZGZOCISIC-UHFFFAOYSA-N 447.491 4.078 10 20 IICD Cc1c(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)n(C)c2ccccc12 470123769 XSRNQHLSRVAKNH-UHFFFAOYSA-N 439.317 4.152 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3(c4ccc(OC)cc4)CCOCC3)ccc21 590671968 ZQGJCXBADYWBBB-UHFFFAOYSA-N 436.552 4.349 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 727946720 MZQMFTMIEZTWKU-IBGZPJMESA-N 436.600 4.100 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c4cccnc34)cc2)CC1 731131426 HQIJBJRNTNYTSU-UHFFFAOYSA-N 436.943 4.379 10 20 IICD Cc1cc(C(=O)Cn2cnc3c(N(C)C)ncnc32)c(C)n1-c1cccc(C(F)(F)F)c1 731566703 IKQWNBQEXIUWJB-UHFFFAOYSA-N 442.445 4.202 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2ccc(Br)cc21 732888585 ZDNDWAUYXZZQKL-UHFFFAOYSA-N 432.387 4.275 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N(c3ccc4c(c3)OCO4)C1=O)O[C@@H](C)C2 735329328 KACCWMVMSCZYAV-VDZJHUJMSA-N 427.503 4.153 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 741097526 UISHFOZCGCRNDT-UHFFFAOYSA-N 447.457 4.125 10 20 IICD C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 741733004 DBSPWAIUCHXQCM-INIZCTEOSA-N 436.383 4.139 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2cnn(CCOC)c2c1 743129202 ZDRWYTLRXXICRG-UHFFFAOYSA-N 447.333 4.205 10 20 IICD C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 743555348 WIHGIYRPKIJWJP-NRFANRHFSA-N 438.641 4.046 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCC(=O)c1ccc(F)cc1F 743809298 SAVIRAUFCJVBOM-UHFFFAOYSA-N 426.257 4.445 10 20 IICD CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 746365038 HIPMRDZKUVSYPY-LJQANCHMSA-N 425.577 4.078 10 20 IICD C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCOCC2)cc1 747652541 QXISPGAIDCFPPL-OAHLLOKOSA-N 438.509 4.046 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C(=O)c2cc[nH]c2)cc1 748718962 ODCNLWGMBXQSIG-IBGZPJMESA-N 439.462 4.246 10 20 IICD COc1ccc([C@@H](CCO)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 749671756 QWMYAFFNUJSQGR-JOCHJYFZSA-N 432.480 4.289 10 20 IICD C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751066872 NPQMAPMODOFKBW-NVXWUHKLSA-N 442.562 4.273 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)CC2)cc1F 755309681 FRMHZNCKMCUCED-SFHVURJKSA-N 426.536 4.027 10 20 IICD CC[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)ccc1O 761500337 VPXIOQMQPFBWKA-OAQYLSRUSA-N 433.390 4.352 10 20 IICD CCCCS(=O)(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 764856523 ZKMPJWGTMDCXTH-UHFFFAOYSA-N 434.521 4.222 10 20 IICD CCCNc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 765466271 NPZDPXRNZLMPOB-ROUUACIJSA-N 428.552 4.261 10 20 IICD CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccc(F)cc2O1 765970665 NJSAJMLPJSCUJK-FQEVSTJZSA-N 445.510 4.028 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 766316829 BTAORDQTXPXPFU-PKTZIBPZSA-N 445.007 4.009 10 20 IICD Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC[C@@H]2CCCO2)c1 766574594 HLTCKABPCFYYEA-KNQAVFIVSA-N 428.548 4.379 10 20 IICD O=C(Nc1cccc(-c2cc[nH]n2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 767914867 FJCVOAIIZPECHW-UHFFFAOYSA-N 427.455 4.469 10 20 IICD Cc1cc(C(=O)Nc2cn(C)cc(Br)c2=O)c(C)n1-c1cccc(Cl)c1 779454881 AZTOYXHOWMPQLG-UHFFFAOYSA-N 434.721 4.461 10 20 IICD C[C@@H]1C[C@H](CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 784379876 NCERTVBRLKYBOL-MSSIEKKKSA-N 438.640 4.051 10 20 IICD COC(=O)COc1ccc(N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 784564755 SEVCTMQDIBSTFD-UHFFFAOYSA-N 431.703 4.274 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 786763985 CSSCVMXGDBRWQV-UHFFFAOYSA-N 435.568 4.379 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)cc1 790911499 PEOKUNIZUVVOQB-UNMCSNQZSA-N 434.584 4.119 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1oc2c(c1C)C(=O)CCC2 798248529 DDDGFRSWRPDZRK-UHFFFAOYSA-N 426.513 4.109 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1C 799187441 SLUIIAVFUJLURF-UHFFFAOYSA-N 443.550 4.121 10 20 IICD CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800049373 JGXVTGOKTHZLCW-HKUYNNGSSA-N 443.053 4.434 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2C)c(C)n1-c1ccccc1 800746887 AWUWVNQFBZHNIU-WJOKGBTCSA-N 433.581 4.263 10 20 IICD C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800992979 GPQGPTOAYUWGQF-FPOVZHCZSA-N 442.003 4.061 10 20 IICD O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 802839658 MFAHOXXFHAWYAZ-FCHUYYIVSA-N 444.522 4.057 10 20 IICD CC(C)(CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)c(Cl)c1 804097387 SSOHKUBDFHBJFZ-UHFFFAOYSA-N 446.378 4.080 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 807193712 GVFOIFIJVXKZTF-MHECFPHRSA-N 437.559 4.214 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3cc(F)c(Cl)cc3N3CCOCC3)ccc21 808900667 VBNCEWZTUDHELI-UHFFFAOYSA-N 432.927 4.020 10 20 IICD C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1OCCc2sccc21 814108152 HLKBFGKOKKDJNF-JLTOFOAXSA-N 436.524 4.385 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cc1 814283265 CXGDSNKIWZMZLM-SFDYMUJDSA-N 441.574 4.471 10 20 IICD CN(C)c1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914442763 LCFXMCKZWUHWHX-AQTBWJFISA-N 445.635 4.112 10 20 IICD COC(=O)c1cn(CC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c2ccccc12 914454927 GPMLIAOMNRIIQR-UHFFFAOYSA-N 445.519 4.316 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCSc1ccccc1Br 915623374 LGPPIUIRTHYROM-UHFFFAOYSA-N 449.414 4.427 10 20 IICD CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 916624756 OLTRRRSPLIWVAK-UHFFFAOYSA-N 439.503 4.480 10 20 IICD CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)c1ccccc1OCC(=O)NC 918634220 KBJXEFOYQBYZQO-HSZRJFAPSA-N 433.552 4.408 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1 920055937 WORMWYXUBVHGHA-HNNXBMFYSA-N 439.453 4.284 10 20 IICD COc1ccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1O 920472815 OVMPHEHUKXBUJB-KGENOOAVSA-N 440.590 4.267 10 20 IICD C[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(N2CCOCC2)cc1 1318030193 CODOMIIVRWDCOF-AZUAARDMSA-N 433.556 4.050 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2c1 1324245346 BTFFAHSNYBLLAY-HNNXBMFYSA-N 429.467 4.485 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCC[S@](C)=O 1341912578 BRIQJNCVAOOKCF-PBYQXAPXSA-N 441.519 4.250 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])c1Br 14271713 DITPGTKMEXKFDB-QMMMGPOBSA-N 428.264 4.459 10 20 IICD COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 23199794 DAHMSJZCKCZVGL-INIZCTEOSA-N 440.471 4.434 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 71933453 IYFYSVZKSYKYPG-UHFFFAOYSA-N 443.809 4.034 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNc2cccc(CN3C(=O)CNC3=O)c2)cc1 236974040 PHSJPERGLZUYNV-UHFFFAOYSA-N 428.536 4.377 10 20 IICD Cn1ccnc1C(=O)c1ccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c([N+](=O)[O-])c1 301372578 UNTTULAPYDBZOG-INIZCTEOSA-N 439.447 4.033 10 20 IICD Cn1c(-c2ccccc2)cnc1SCc1nnnn1-c1ccccc1Br 727690055 JSYISZPIMUSTBM-UHFFFAOYSA-N 427.331 4.118 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccsc3NC(=O)c3ccco3)CC2)cc1 731474270 QDHLOAXCOKWUAA-UHFFFAOYSA-N 425.510 4.001 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(C)C)nn3-c3ncccn3)c2C)cc1 732767602 NEKHBIBORXCUTK-UHFFFAOYSA-N 430.512 4.454 10 20 IICD CCSc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 733856075 QKWPWRRRMQRPNE-UHFFFAOYSA-N 449.523 4.124 10 20 IICD COc1ccc(O)c(CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)c1 734014880 IFHPHVTWXMIHCX-UHFFFAOYSA-N 442.471 4.317 10 20 IICD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)C1 741099575 GEGDNWHLPKQKAP-CPJSRVTESA-N 447.579 4.413 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 741967189 WEHTXUXBVZRMRC-UHFFFAOYSA-N 449.576 4.082 10 20 IICD Cc1nc(-c2ccc(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nc2)nc(O)c1C 742394192 KYURDTFGKZCYAT-GJZGRUSLSA-N 437.519 4.226 10 20 IICD COc1ccc(/C=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742755156 WCHFQEJBASDIIP-NYBOLYEOSA-N 439.556 4.157 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 743381860 IARNZAGOUGKUST-UHFFFAOYSA-N 437.437 4.432 10 20 IICD CC(C)(C)[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 745983758 VYAKCXWJBRVIBK-IBGZPJMESA-N 434.370 4.077 10 20 IICD CC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 748121204 GUGAZDONFWVJFT-NSHDSACASA-N 444.837 4.017 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)ccc21 749243101 DBGPHFRKPSRCNK-UHFFFAOYSA-N 430.508 4.282 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(CCN4CCCCC4)cc3)CC2)cc1F 753882660 XPAGTMSJARJFTF-UHFFFAOYSA-N 440.563 4.217 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F 754232822 CIIKGJGPPBDGDQ-ZDUSSCGKSA-N 427.398 4.495 10 20 IICD CSc1cc(Br)ccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 755032938 WJLKAZYXRQHVBL-GHXNOFRVSA-N 432.386 4.237 10 20 IICD COCCN(Cc1cc(Br)cs1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 755273647 HNBLHCFOCFFXGO-CQSZACIVSA-N 440.407 4.496 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Br)cc(C(F)(F)F)c1 755633165 ZSNJATJIXMBMBK-UHFFFAOYSA-N 443.263 4.235 10 20 IICD COc1ccc(N[C@@H](C)c2cc(Br)ccc2O)cc1-n1nnnc1C1CC1 757612246 JBFLJJWWUXXHCI-NSHDSACASA-N 430.306 4.190 10 20 IICD O=S(=O)(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1Cn1cncn1 758386596 ZEHIPRQWISZRFM-UHFFFAOYSA-N 447.545 4.404 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)Cc3ccccc3Br)CC2)cc1 759767951 YSZSLMORWWZHOC-INIZCTEOSA-N 446.389 4.357 10 20 IICD C[C@H](NC[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 765699045 AQWBQABPZAYFAL-RBBKRZOGSA-N 428.020 4.392 10 20 IICD CCN(Cc1cc(Br)cc(OC)c1O)CC1CCN(c2ccccn2)CC1 769467310 SWGIUPXIJAZRET-UHFFFAOYSA-N 434.378 4.297 10 20 IICD C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N(C)C)cc1 773610470 JRISBHYAQDPKOC-MRXNPFEDSA-N 432.515 4.383 10 20 IICD CC[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Br)ccc1O 775489470 PVDWJBSQKDVOFO-OAQYLSRUSA-N 449.389 4.107 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OCC(F)(F)F)nc1 776244470 JRNSIWJHDSQQFH-UHFFFAOYSA-N 438.494 4.251 10 20 IICD CC(C)(C)OC(=O)N1CC=C(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 778202498 AWYYUUYIYJSKNA-UHFFFAOYSA-N 430.549 4.242 10 20 IICD CN(Cc1nnc2n1CCCCC2)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 782988376 OOYRIUFJTCNIJJ-UHFFFAOYSA-N 431.500 4.017 10 20 IICD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 784642798 AUTOWZZUJPURDQ-UHFFFAOYSA-N 436.512 4.163 10 20 IICD Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 785298799 ZDTOXAJIOYUPIM-OAHLLOKOSA-N 438.911 4.413 10 20 IICD C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788908865 CBJJHXNWSCYLOK-INIZCTEOSA-N 433.474 4.141 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3sc(SC(F)F)nc3C)CC2)cc1 793346127 HAWJJTFKLICNMH-UHFFFAOYSA-N 427.542 4.103 10 20 IICD Fc1cc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)ccc1N1CCN(c2ncccn2)CC1 800225192 RREDJVLULIHUFM-GGAORHGYSA-N 446.574 4.153 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 801549236 GNPZDGAXIMZEMS-UHFFFAOYSA-N 443.487 4.100 10 20 IICD COc1cccc(CNC(=O)NCC2(c3ccc(Br)s3)CCC2)c1O 807425982 GBKLPJQDHZFVPI-UHFFFAOYSA-N 425.348 4.146 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(NC(=O)OC)c1 807493853 ZIVWWWKRIRDMJV-UHFFFAOYSA-N 436.306 4.065 10 20 IICD COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 807673808 ZMNGQNLBJQTZLB-FQEVSTJZSA-N 445.563 4.167 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)CC2)cc1 811955624 ZVBRQBHCZFGJRE-XMMPIXPASA-N 435.568 4.011 10 20 IICD CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 814178905 IOUBHAREGBGJOM-UHFFFAOYSA-N 440.535 4.241 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2C)cc1 914756944 BHADWVMFZXMARX-KRWDZBQOSA-N 440.565 4.339 10 20 IICD Cc1cc(CN(C)CC(=O)NCc2ccc(N(C)C)cc2)cc(C)c1OCC(F)(F)F 917413673 PQYVSYKHIHHXOK-UHFFFAOYSA-N 437.506 4.059 10 20 IICD CCOC(=O)c1c(NC(=O)CSc2nccs2)sc2c1CC(C)(C)NC2(C)C 917535818 HYUGIQDFTBCKRX-UHFFFAOYSA-N 439.628 4.272 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3SC(F)F)cc2)C1 918030164 TYXDVSNRUVDIAV-OAHLLOKOSA-N 434.512 4.025 10 20 IICD CN(Cc1csc(Br)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 920043992 PFJMLOPHELGGOS-UHFFFAOYSA-N 440.432 4.405 10 20 IICD COC(=O)C[C@](C)(NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccncc1 1320739610 ISMGVCZZBHYNHQ-QHCPKHFHSA-N 425.916 4.351 10 20 IICD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 1323686484 PHTJHHXYBVZVLS-QHCPKHFHSA-N 429.568 4.310 10 20 IICD CCC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)n1cccc1 1788596987 CFHFXOAGECXMIX-FQEVSTJZSA-N 448.523 4.083 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CCCn2cccc2)C3)cc1 1845399223 CUBPMHXOGZLHRW-UHFFFAOYSA-N 444.579 4.193 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C)n1-c1ccccc1 3384428 AOJJOQXOPAFUGF-UHFFFAOYSA-N 445.924 4.191 10 20 IICD Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1 97569862 GMJJBWGYXHFYEK-HNNXBMFYSA-N 445.972 4.228 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccc(F)cc3F)C3CC3)cc2F)CC1 303279735 IHWXNLAOHKVXTK-UHFFFAOYSA-N 446.517 4.120 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)n(C)c2ccccc12 472794414 ZESBGBSTMFWMNP-UHFFFAOYSA-N 434.721 4.158 10 20 IICD Cc1ccc2nc(COc3ccccc3C(=O)N3CCOc4cc(N(C)C)ccc43)cn2c1 475936814 FOARNRBFAHCXFX-UHFFFAOYSA-N 442.519 4.327 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 725868765 YLTLLXFFBXCVMV-QFBILLFUSA-N 437.437 4.036 10 20 IICD CCNC(=O)c1ccc(C)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726696552 QZONWPRRABMMLW-UHFFFAOYSA-N 446.498 4.137 10 20 IICD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 727224921 YPIRGNLYOZLTRR-UHFFFAOYSA-N 431.920 4.064 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)o1 730932028 CBYQZGDDFWFKSH-UHFFFAOYSA-N 433.294 4.297 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1ccc2ncccc2c1 731326770 YFIDXLWPQUCXBD-UHFFFAOYSA-N 428.540 4.241 10 20 IICD O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731859476 VTXYNDKTEFWUJG-SLFFLAALSA-N 430.342 4.466 10 20 IICD CCOc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 732202417 PIYSSUPVQPGTHS-ZEQRLZLVSA-N 438.568 4.136 10 20 IICD O=C(NCCCSc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 733973361 GPAWPFPGYGOIKA-HNNXBMFYSA-N 444.409 4.353 10 20 IICD CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccc(N2CCOCC2)cc1 735562351 JALZHRATTYQUDT-HHHXNRCGSA-N 427.397 4.070 10 20 IICD O=C(Cc1cc(-c2ccccc2)on1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 736013737 BADLFLONXULIBR-UHFFFAOYSA-N 427.451 4.271 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 740813173 WJKCPOXTQICTAK-UHFFFAOYSA-N 443.399 4.398 10 20 IICD C[C@H]1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC[C@H]1NC(=O)OC(C)(C)C 740856829 LLHTXBZZRWHALU-OXJNMPFZSA-N 440.540 4.064 10 20 IICD C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 742754959 SQEMGRIPNIXMFO-HRAATJIYSA-N 429.536 4.377 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 742799293 JFLWGOMTPGUCGP-INIZCTEOSA-N 446.454 4.169 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC 743871235 XYMMLZHJUHLGIA-HUUCEWRRSA-N 435.362 4.251 10 20 IICD CCc1ccc([C@H]2COCCN2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 745905440 NYGVXIRRKKLTJL-OXQOHEQNSA-N 449.498 4.195 10 20 IICD CCCO[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 745905525 ORUIOGJXPLNYKX-PKOBYXMFSA-N 425.520 4.248 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc1 758414509 AWHSLYNVQRUCPC-KAECEXQPSA-N 433.576 4.132 10 20 IICD CN(c1ccc(CNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1)C1CCCCC1 760063250 FFUJSBCZSBONIL-UHFFFAOYSA-N 447.576 4.461 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCCCCC2)cc1 765980420 ZWLLRFPANBDPOR-OAQYLSRUSA-N 441.641 4.153 10 20 IICD Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 769968353 OISDYBSGRPFDKT-QGZVFWFLSA-N 426.467 4.181 10 20 IICD CC(C)C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)Nc1nccs1 773151077 PQUYEBHWOLKLDH-KXBFYZLASA-N 437.009 4.337 10 20 IICD COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 773860225 WXSGHAKEFAVOQJ-KRWDZBQOSA-N 448.523 4.073 10 20 IICD Oc1c(Br)cccc1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 775144994 GTRYUGBEWRHNOT-UHFFFAOYSA-N 428.117 4.332 10 20 IICD COc1cc(O)c(CNC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1OC 776174345 JMCXMKZWNRCFLP-IBGZPJMESA-N 434.964 4.005 10 20 IICD CC(C)[C@@H]1C[C@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782000860 JSEWZIXDPQHUQM-COPCDDAFSA-N 447.620 4.276 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ncnc4sc5c(c34)CC[C@H](C)C5)cc2)CC1 786073311 MLFDEUJHXCNIEF-INIZCTEOSA-N 435.597 4.097 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccc(Oc2ccccc2)c1 788908802 AOUIEAMUERACKL-UHFFFAOYSA-N 429.520 4.012 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COCCOc2ccccc2)c1 789836598 RIRMCHZFFQZQOD-GOSISDBHSA-N 436.508 4.446 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)c2C)cc1 789924843 LRKZRCYSCIEHQX-UHFFFAOYSA-N 432.929 4.412 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])n2)cc1 790640055 WQHHHZAGIWJOGY-UHFFFAOYSA-N 446.510 4.094 10 20 IICD CC[C@@]1(c2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CCC(=O)NC1=O 792859287 VQGUUOFMGUAMQO-QFIPXVFZSA-N 433.474 4.468 10 20 IICD COc1ccc(CN(CCc2ccccn2)Cc2ccc(N3CCN(C)CC3)cc2)cc1 793347511 CTTGIZAFHGTGJS-UHFFFAOYSA-N 430.596 4.087 10 20 IICD COCc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 795806869 BVYOXRAIYULUHJ-UHFFFAOYSA-N 432.586 4.089 10 20 IICD COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1NC(=O)OC(C)(C)C 797612695 JEQGSSOOFZLRDI-CYBMUJFWSA-N 431.489 4.206 10 20 IICD CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4)n3)ccc2NC1=O 799187238 OQWKKNGBPYYONH-UHFFFAOYSA-N 434.930 4.242 10 20 IICD COc1cc(Br)cc(CNC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1O 808427707 BVSRYGYDFBHQAX-IBGZPJMESA-N 437.378 4.343 10 20 IICD COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2Cc2ccccc2)cc1OC 812052484 DFAFXTZEPSPDJJ-UHFFFAOYSA-N 430.508 4.353 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCO1 812430728 QSASKJDPKNTSLC-NRFANRHFSA-N 431.540 4.192 10 20 IICD O=S(=O)(c1ccc(CCNCc2ccc3ccccc3c2O)s1)N1CCCCC1 816553866 IVIQASWXOPAIKP-UHFFFAOYSA-N 430.595 4.114 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)sc2C)cc1 818788818 SWOQWLHPCJPHQI-UHFFFAOYSA-N 443.550 4.203 10 20 IICD CCn1c(O)nnc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 844262046 PTGCSMGGMQEYLO-ZDUSSCGKSA-N 436.484 4.376 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)cc1 915061162 AQSPEDYAGZISAD-UHFFFAOYSA-N 437.588 4.031 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 916648438 HIJCQCWAOIIJGT-AVRDEDQJSA-N 439.556 4.268 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)nc3O)cc2F)C[C@@H](C)O1 917715822 WSHUXFMRTMJXSY-CALCHBBNSA-N 435.499 4.137 10 20 IICD CCOc1cc(C)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917745122 PYODTQNWRHOQSI-UHFFFAOYSA-N 430.416 4.330 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(=Cc2cccc(F)c2)CC1 918080282 BUXYIXJCMHQZCP-UHFFFAOYSA-N 441.522 4.315 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1 918228360 IQUOTJJJKPZLAA-QFIPXVFZSA-N 439.560 4.155 10 20 IICD CCC(CC)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918422768 HKUHYBKXUNWWAZ-UHFFFAOYSA-N 435.528 4.148 10 20 IICD C[C@@H](NCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(N2CCOCC2)cc1 920867564 UUSOKHYQSJHWNZ-CQSZACIVSA-N 432.446 4.042 10 20 IICD Cc1cc(CCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C)n1-c1ccccc1 1118972262 AGKGPBHKBVBAJQ-DEOSSOPVSA-N 431.536 4.184 10 20 IICD Cc1cc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nc2ccccc12 1317953123 QOSBAJXKAIJNOY-UHFFFAOYSA-N 428.515 4.411 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 1322961525 IJTCDUDWXMKURD-UHFFFAOYSA-N 425.529 4.395 10 20 IICD CCn1c(SCC(=O)Nc2c(Cl)ccc3nonc23)nnc1-c1cccc(C)c1 1324141691 LVMHUZIISWQXJK-UHFFFAOYSA-N 428.905 4.194 10 20 IICD C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 11580136 VUPZRTKYKJDTJR-UHFFFAOYSA-N 432.451 4.086 10 20 IICD COc1cc(Br)c(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1OC 16441228 QPHRPRGAOPDEAF-CHHVJCJISA-N 437.340 4.267 10 20 IICD Cc1ccc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1 302833491 NMKMLTXPSCUWQX-KRWDZBQOSA-N 433.346 4.083 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)cc1 303662390 DNTHPQCFXZLNFC-UHFFFAOYSA-N 447.579 4.241 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 541093217 IYVDQDVKJBCJNI-UHFFFAOYSA-N 442.519 4.386 10 20 IICD CC(C)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726726449 OVNCYZIONRHFBF-UHFFFAOYSA-N 431.483 4.135 10 20 IICD COc1ccc(C)cc1/C=C1\SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O 726802113 SWWNEELWJZJIKA-MOSHPQCFSA-N 427.547 4.219 10 20 IICD COC(=O)COc1c(C)cc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1C 727178092 RNSWVIHDKSNHJD-NVNXTCNLSA-N 448.953 4.309 10 20 IICD C[C@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccc(N2CCOCC2)cc1 727710526 OSTCPJFKWSKRIW-KRWDZBQOSA-N 434.540 4.362 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc(OC)c1OC(C)=O 727864117 SGFFMBUXCREVRO-BOPFTXTBSA-N 449.575 4.135 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 728280448 OWFHZSZBYLOMRL-IBGZPJMESA-N 425.960 4.342 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 732476473 LDIWSGHCJVPBTN-SFHVURJKSA-N 445.405 4.326 10 20 IICD Cc1nc(-c2ccccc2)oc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 741741990 PSNAYPNEPFHZBY-UHFFFAOYSA-N 445.441 4.435 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(OC[C@@H]2CCCO2)c1 742797501 DLPKAGFGQZVLGP-GCJKJVERSA-N 446.494 4.245 10 20 IICD O=C(CCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2c(c1)OCCCO2 743429039 XRDPBJSPMMVNDK-UHFFFAOYSA-N 435.476 4.338 10 20 IICD CC(C)OCCN1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 747796127 NPNJBDMJHDZMRN-UHFFFAOYSA-N 437.544 4.046 10 20 IICD COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2O)c1 748353777 DNGKMWXPRXLYQF-UHFFFAOYSA-N 429.476 4.192 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c2C)c1 748755388 OUJSVITZMIDDST-UHFFFAOYSA-N 430.552 4.357 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2cccc(Cl)c2)no1 748841054 RBORBPSWYPJOLQ-UHFFFAOYSA-N 425.916 4.134 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1 751781630 KAUSUGSLZSIGMJ-OAQYLSRUSA-N 434.584 4.359 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(OC(F)F)cc1 751931301 MWWHIIOUQUPJHJ-LBPRGKRZSA-N 447.463 4.102 10 20 IICD C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F 754232820 CIIKGJGPPBDGDQ-CYBMUJFWSA-N 427.398 4.495 10 20 IICD C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 754321930 YDVWFKNMBKLIBR-ZIAGYGMSSA-N 437.418 4.224 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCN(CC)[C@@H](C)C2)sc(C)c1-c1ccccc1 754384023 CQVMKQINQJTTAL-KRWDZBQOSA-N 443.613 4.255 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C2CC2)cc1 754976770 LMMYTKVYSCTRHS-UHFFFAOYSA-N 436.281 4.367 10 20 IICD CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H](c1ccc(C)cc1)n1cncn1 756160184 WZRQYDCGONAUEE-ISKFKSNPSA-N 428.540 4.187 10 20 IICD O=C(NCCc1ccccc1OC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 757245441 BGWKPTHFVBXRIK-GOSISDBHSA-N 438.446 4.224 10 20 IICD CCCn1ccnc1CCCN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 758889898 YBNWTSKUGXWMNM-GOSISDBHSA-N 449.546 4.138 10 20 IICD COc1cc(N2CCN(Cc3cccc(Br)c3C)CC2)cc(OC)c1OC 759873704 ZCKHEFHRARWEJB-UHFFFAOYSA-N 435.362 4.106 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2csc(-c3ccccn3)n2)cc1)C1CCCCC1 762647283 PJOVIKOCFQIMDJ-UHFFFAOYSA-N 449.580 4.229 10 20 IICD C[C@H](NC(=O)Nc1nnc(/C=C/c2ccco2)s1)c1ccc(N2CCOCC2)cc1 764002716 WTFFVDLBFVUQQK-HVHJFMEUSA-N 425.514 4.021 10 20 IICD CCCc1c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1-c1ccccc1C 764624175 NFZDWVXCKWIHRR-UHFFFAOYSA-N 447.583 4.186 10 20 IICD C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1 765299084 ZROMRFOZAGWVMC-IBGZPJMESA-N 444.019 4.076 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 765330989 ZUCNRNZSMDCKDJ-IBGZPJMESA-N 447.620 4.495 10 20 IICD CCCNc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 765925324 BEOYSGSUAHZNMS-UHFFFAOYSA-N 445.566 4.006 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)CC1 767935888 LIHPVYLDEFBTHA-UHFFFAOYSA-N 430.556 4.132 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1 772450678 RSOHLAFEKHEAGS-CALCHBBNSA-N 437.519 4.255 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc4nnc(-c5ccsc5)n4n3)cc2F)C[C@@H](C)O1 772652212 XBUVYHKIYQJMKL-GASCZTMLSA-N 438.532 4.218 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1Cl 772977269 BMULHYUKTJVJBE-QRWLVFNGSA-N 434.367 4.286 10 20 IICD Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773847798 OVCCDEIKOJSTMQ-LBPRGKRZSA-N 438.753 4.293 10 20 IICD C[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1Cl 775573064 XMTSXAQTUZCMDB-ZACQAIPSSA-N 433.955 4.060 10 20 IICD O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 776064203 ADTRSFIBFNCOIK-QFIPXVFZSA-N 449.551 4.295 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 777823603 VHNRSOMCTHIWLF-IBGZPJMESA-N 425.488 4.342 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4cnn(C)c4C3)c2C)c1 798763614 RTOUHSJQTHCFNJ-KRWDZBQOSA-N 437.565 4.081 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 802609427 APKLCHUPJKJROY-HKBQPEDESA-N 444.597 4.207 10 20 IICD CCC(CC)[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 803677332 MJUQXMKEMVEBEM-ZJSXRUAMSA-N 443.632 4.172 10 20 IICD COc1cc(C)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)c1C 805291943 GGKWABTWJZYGMU-UHFFFAOYSA-N 446.550 4.441 10 20 IICD Cc1ccccc1C(NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1C 807286877 DGDSLZWWAFOUBF-UHFFFAOYSA-N 439.559 4.202 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 807506366 VRKUYQDGPPDKOZ-RBBKRZOGSA-N 425.548 4.083 10 20 IICD Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCCO2)cc1C 812436100 BXAGUKFIZQJQLM-OAQYLSRUSA-N 449.555 4.058 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 813685772 RIVIPPDPTBJOTR-UHFFFAOYSA-N 449.191 4.368 10 20 IICD C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 857758283 BZMDNMGAEZECQX-LJQANCHMSA-N 442.629 4.166 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 914577197 LFAYUZJWLYOOSQ-UHFFFAOYSA-N 434.926 4.150 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] 916458139 WNXAPWNYQMGSRP-UHFFFAOYSA-N 443.809 4.034 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 917698100 KZNIHBSKKHNZBP-UHFFFAOYSA-N 441.597 4.492 10 20 IICD Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1 919971498 OXILQGODIOISQA-UHFFFAOYSA-N 440.559 4.381 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 920221117 GCCSGGHQMLYGMG-HXUWFJFHSA-N 437.559 4.046 10 20 IICD C[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(N2CCOCC2)cc1 920881108 CGSJAIWAWULFBL-SZNDQCEHSA-N 448.350 4.200 10 20 IICD Cc1nnc(CNC(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)n1C 1116231116 HZCKBNOJJQNGCA-GOSISDBHSA-N 446.477 4.118 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)cc1 1322376350 BTIPGXBAMMVXMJ-UHFFFAOYSA-N 443.594 4.481 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2)n1 302962199 GPSOMFSOGYPRIX-UHFFFAOYSA-N 429.568 4.273 10 20 IICD Cc1nc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc1-c1ccccc1 303333613 UDQQFZJODCHTPT-UHFFFAOYSA-N 433.552 4.108 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccnc(OC3CCC3)c2)C1 444271562 YRZABVWBRVDUNX-UHFFFAOYSA-N 432.568 4.051 10 20 IICD O=C(NCCCNCc1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1 726607321 KSKQUXKHEQJWBB-UHFFFAOYSA-N 432.145 4.371 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)C2(C)CCOCC2)sc(C)c1-c1ccccc1 726840617 BKKUBJSUQKIQRK-UHFFFAOYSA-N 445.537 4.199 10 20 IICD CN(CC(C)(C)C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 726924305 PETMBNQTFXSPPI-ZROIWOOFSA-N 441.416 4.155 10 20 IICD O=C1/C(=C\c2cc(F)c(F)c(F)c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 728083275 IHGLCGPRXXKGBU-LICLKQGHSA-N 437.464 4.319 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(C)(C)c1ccc(F)cc1Cl 733351562 JNMFOCANJNZUKK-UHFFFAOYSA-N 433.955 4.435 10 20 IICD COc1cc2c(cc1/C=C1\SC(=S)N(c3ccc4c(c3)OCO4)C1=O)O[C@H](C)C2 735329321 KACCWMVMSCZYAV-DLGFXHSSSA-N 427.503 4.153 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1ccc2c(c1)OCCO2 735611447 VTAGDTWGBHUWBQ-UHFFFAOYSA-N 442.440 4.401 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F 739067868 DBOBEVCEHOWCMW-UHFFFAOYSA-N 439.503 4.236 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3cc(F)ccc3N3CCOCC3)c2C)cc1 740847157 YIFXCDIJBZWSTH-UHFFFAOYSA-N 437.515 4.008 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 741099923 NEVFDMJZCMGYDY-UHFFFAOYSA-N 445.494 4.036 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1 746514046 ZPZOCFGNCQSAMN-YOEHRIQHSA-N 434.367 4.115 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c2c(c1)OCCO2 748619271 KBIWVDUEJGLKDR-UHFFFAOYSA-N 433.346 4.337 10 20 IICD CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 749096757 PYVUDDMXEFQBIW-UHFFFAOYSA-N 448.951 4.151 10 20 IICD CC(C)[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1 751612189 OVIWFNPLGLZMHG-OAQYLSRUSA-N 432.515 4.391 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(C(F)(F)F)c1 753808505 AMYONYMIJGWDCK-UHFFFAOYSA-N 432.398 4.480 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1 754627331 CUZFCRUFSKGNBM-JLHYYAGUSA-N 435.615 4.146 10 20 IICD Cc1cc(C(=O)Cn2nc(C(F)(F)F)ccc2=O)c(C)n1-c1ccc(F)c(Cl)c1 754720260 OKSZCLSGBMPIGM-UHFFFAOYSA-N 427.785 4.345 10 20 IICD COc1cc(N2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)cc(OC)c1OC 758935841 LDACTLAZJMAXSJ-UHFFFAOYSA-N 445.516 4.125 10 20 IICD CCC(CC)(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 759014993 AWFRSSPWPRWCET-IBGZPJMESA-N 440.584 4.476 10 20 IICD COc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C)cc4)c3)CC2)cc(OC)c1OC 759241957 KKKCNTORSIMTEQ-UHFFFAOYSA-N 447.535 4.045 10 20 IICD CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 760167816 LEYODRPBLPAQCU-OWCLPIDISA-N 432.458 4.214 10 20 IICD CCN(Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1)C(=O)OC(C)(C)C 761650730 MIOBGVCCEPFQNL-UHFFFAOYSA-N 429.517 4.219 10 20 IICD C[C@@H]1C[C@@H]1c1noc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n1 762257290 YVUIUAWYCVUZSC-BLMBABSGSA-N 436.356 4.357 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc([C@@H]4CC(=O)N(Cc5ccccc5)C4)no3)ccc21 762342710 SYIWTUPRZBEDQA-OAQYLSRUSA-N 444.535 4.471 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(/C=C\c2ccco2)s1 763993060 PKNAYDHRQXXPKL-FPLPWBNLSA-N 427.555 4.176 10 20 IICD CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 764998949 BSHBTENXIFWPGB-MBOZVWFJSA-N 443.519 4.233 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 768208431 PASPDDAQCVAHLU-HSZRJFAPSA-N 430.976 4.366 10 20 IICD COc1ccc(OCc2ccccn2)c(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1 770302657 QTBBBEPYQSDXET-UHFFFAOYSA-N 437.515 4.139 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2cnn(C(C)C)c2n1 771067717 VKUQCZAPCKETKL-GOSISDBHSA-N 441.963 4.074 10 20 IICD COC(=O)C[C@@H]1CSCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772149464 AZJXCHZFLFVBNW-GOSISDBHSA-N 426.542 4.289 10 20 IICD C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773229302 OHLLFUMYOBRRCA-DLBZAZTESA-N 445.405 4.402 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3cccc(Cl)c3)C3CCCC3)nc12 775526807 KPAONARONKZYIY-HXUWFJFHSA-N 428.920 4.286 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 776668184 NZGTYRSAJGAYJY-CYBMUJFWSA-N 441.366 4.006 10 20 IICD O=C(CN1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(N=Nc2ccccc2)cc1 778230898 DYUVTHLTRNUFEO-OAHLLOKOSA-N 433.434 4.041 10 20 IICD CCOC(=O)[C@@H](NCc1cc(Br)cc(C)c1O)c1ccc(OC)c(F)c1 779185063 AKRHESOFHWLMIJ-KRWDZBQOSA-N 426.282 4.005 10 20 IICD Cc1nc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)c2)n[nH]1 783484442 CJGDJMSEMVHYEE-INIZCTEOSA-N 440.507 4.095 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H](c1ccccc1)c1ccco1 785553278 YVAAUGFHFZXEKE-XMMPIXPASA-N 431.536 4.134 10 20 IICD COC(=O)c1csc(-c2cccc(CNCc3cc(Br)ccc3O)c2)n1 790995414 OSEFNNFYXJOURX-UHFFFAOYSA-N 433.327 4.355 10 20 IICD COc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c(O)c1 794379658 UTKKTRDDUQOLRV-OZXSUGGESA-N 444.531 4.197 10 20 IICD CC(C)(C)c1ccc([C@H](O)CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 798297433 WAAVSKRKKXAYBO-XMMPIXPASA-N 442.575 4.214 10 20 IICD CC(C)c1ncc(CN(C)Cc2cc(Br)cc(Br)c2O)cn1 799737003 QKBDKOZKRLKGFD-UHFFFAOYSA-N 429.156 4.463 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3CN3CCCC3=O)cc2Cl)C1 800720420 SPNFMXNCDZUJBW-ICSRJNTNSA-N 447.023 4.263 10 20 IICD CC(C)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802672342 SOOFQEAKVDWCPZ-UHFFFAOYSA-N 437.563 4.137 10 20 IICD COc1cccc(CNCc2cc(Br)c(OC)c(Br)c2)c1O 809740363 VUQSKOSMEWBFIR-UHFFFAOYSA-N 431.124 4.224 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cccc3ccccc13)c2[N+](=O)[O-] 914485118 WAOHZSPQNIWNEP-UHFFFAOYSA-N 436.423 4.453 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 916397911 FWTZTGMSMMGKDI-UHFFFAOYSA-N 436.478 4.355 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2C)cc1C 916736793 GMEVUWQENUZCHF-UHFFFAOYSA-N 447.535 4.315 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)c1cc(OC)ccc1OC 916986112 IZFMWBVKYRGBHK-IBGZPJMESA-N 442.537 4.184 10 20 IICD Cc1ccc(CNC(=O)C2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1F 917459858 UBWWJKLXQKGJFX-UHFFFAOYSA-N 428.548 4.371 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)cc3F)n2)cc1 917906678 HKACDVNULJDNEM-UHFFFAOYSA-N 435.502 4.107 10 20 IICD Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 919765448 AWOVXVYEUBIZRF-UHFFFAOYSA-N 447.583 4.139 10 20 IICD CCCCOc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 919790155 NCLIYYIZUOLMCY-IBGZPJMESA-N 441.572 4.271 10 20 IICD C[C@@H](Cc1cccc(Br)c1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 920811989 PZNZOWGDTHHRSJ-JXFKEZNVSA-N 447.373 4.477 10 20 IICD COc1cc(Br)cc(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 920928726 HOSKPGPUYCLKMD-UHFFFAOYSA-N 448.361 4.267 10 20 IICD Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1795184939 YAPFGQPQBQIIOK-RHHYMUMYSA-N 442.563 4.363 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)ccc2F)C3)cc1 1845399154 WFNZGLYVZIAJEH-UHFFFAOYSA-N 447.510 4.070 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COc3ccc(S(C)(=O)=O)cc3)c2C)c1 57485210 DVKZTTKJJLRNDM-UHFFFAOYSA-N 429.563 4.481 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Br 97445484 OHCBHFLQKURFEH-UHFFFAOYSA-N 432.362 4.288 10 20 IICD COCc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)oc2ccccc12 108283243 MECXRMKUGARPMQ-HZPDHXFCSA-N 426.488 4.262 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1)c1ccccc1 726250310 VMYABRSQKIIKMR-XMMPIXPASA-N 448.611 4.053 10 20 IICD CC(C)C(C)(C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 728003960 DLPFFXGUIHYHNY-NTEUORMPSA-N 441.416 4.201 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 728469797 DYMYNNNZVBAYJB-HXUWFJFHSA-N 437.584 4.276 10 20 IICD Cc1cc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 730244689 GHQOPDXQKLEHRP-QGZVFWFLSA-N 426.561 4.255 10 20 IICD CSc1nnnn1-c1cccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 731900268 MKQYKKQXRRCVKE-UHFFFAOYSA-N 438.557 4.457 10 20 IICD COC(=O)c1ccc(C)c(NC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)c1 739926861 VEDAHJHVRXOFFQ-UHFFFAOYSA-N 426.444 4.168 10 20 IICD Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 745646145 APCYBTCQZBIGGS-HSZRJFAPSA-N 425.548 4.450 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 745690753 DIAIZXJRUJLHIX-QPPBQGQZSA-N 434.584 4.052 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N(Cc1ccco1)C[C@H]1CCCO1 745906210 YOMOMNYSQCPMOV-DYESRHJHSA-N 449.498 4.241 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N=c2cc[nH]cc2)cc1 746312917 CTXUQHKTYUHOSL-FQEVSTJZSA-N 438.478 4.247 10 20 IICD C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 747311349 LPIUPGVAGWHUKZ-HUUCEWRRSA-N 428.444 4.292 10 20 IICD CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 748626722 FGTQCHNPFHUVFV-JOCHJYFZSA-N 447.526 4.330 10 20 IICD CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 748626728 FGTQCHNPFHUVFV-QFIPXVFZSA-N 447.526 4.330 10 20 IICD Cc1cc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(C)n1-c1ccccn1 751414821 HXJQMAXFJRUJFB-HXUWFJFHSA-N 428.536 4.246 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nn(-c3ccc(F)cc3)cc2O)cc1 752793736 XFLZZJRNUXCMOA-UHFFFAOYSA-N 434.471 4.219 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2c(Br)ccc(F)c2C1 754208048 LQQIJQVNTDGRNC-UHFFFAOYSA-N 430.321 4.232 10 20 IICD CN(Cc1c(O)ccc2ccc(O)c(CN(C)Cc3cccn3C)c12)Cc1cccn1C 760401686 IPGAHRCHHZTUQF-UHFFFAOYSA-N 432.568 4.192 10 20 IICD CC(C)[C@@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 763548381 MOGQSQUYUWWOAZ-GYBQTFJISA-N 428.373 4.238 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 765119167 RVFILNVWKSAAIV-QRVBRYPASA-N 445.554 4.266 10 20 IICD CCC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCc2sccc2C1 765658858 QNRKRBQQQAZCNZ-LAUBAEHRSA-N 445.604 4.128 10 20 IICD C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 766238484 UGENSTBJQZOXGJ-GOEBONIOSA-N 442.503 4.150 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)c2)CC1 767383729 QOVHGSQEHPVEJZ-UHFFFAOYSA-N 448.611 4.276 10 20 IICD C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769673372 YRKHEFZDIRYMTQ-ZDUSSCGKSA-N 434.514 4.227 10 20 IICD CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 769879402 NTWNJYWWOPAEDY-HSZRJFAPSA-N 430.976 4.269 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccc(N(C)C)cc1 773854928 DNFBZYPOKLQUGA-HNNXBMFYSA-N 438.915 4.409 10 20 IICD COC(=O)c1ccccc1-c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)o1 775951144 BLHZVBGKCQLTRH-UHFFFAOYSA-N 438.499 4.123 10 20 IICD CCCc1cnc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 776486743 CLUARHOZWOHBSF-UHFFFAOYSA-N 428.480 4.273 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)nn1-c1ccccc1 783486238 NQBAEULHPRHRNW-IBGZPJMESA-N 439.519 4.496 10 20 IICD CN(C)c1ccc(CNC(=O)CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1 785968164 HGVSUIXGQZLHQJ-UHFFFAOYSA-N 443.591 4.019 10 20 IICD COc1cccc(OC)c1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 788818811 YHMCYJODVRHISN-UHFFFAOYSA-N 433.485 4.210 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cc(Br)c(F)cc1O 797041143 PCSLXTKIGOVEQM-JTQLQIEISA-N 432.311 4.020 10 20 IICD CC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 799908602 YPFUAJJZTAXZSA-GOSISDBHSA-N 449.039 4.413 10 20 IICD Cc1cc(-c2nnc(N3CCC(CC(=O)N4CCCC4)CC3)n2C)c(C)n1-c1ccccc1 800762760 NFYBMZVCPKXVDY-UHFFFAOYSA-N 446.599 4.119 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 806458077 VHWQDWCPBNBMST-AKFKNWHVSA-N 437.559 4.265 10 20 IICD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(Cl)cc(Cl)c1O 807837655 ZMCCMXQQOHARLI-IBGZPJMESA-N 448.350 4.180 10 20 IICD Cc1ccc([C@H](O)[C@@H](C)NCc2cc(Br)cc(Br)c2O)cc1 809702469 UOGRBFVKWACYBJ-BDJLRTHQSA-N 429.152 4.437 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1 814286719 GBUAGMPKGGRRKR-BOPFTXTBSA-N 431.535 4.122 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 827860566 ZBMYNLQOCYIOMY-UHFFFAOYSA-N 432.495 4.166 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccc2nc(O)[nH]c2c1 828576465 LSVSVSKXTZHNRC-QGZVFWFLSA-N 449.536 4.042 10 20 IICD CN(C)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C(F)(F)F)c1 916679103 JKMRLGYTBQFJTL-UHFFFAOYSA-N 440.441 4.069 10 20 IICD O=C(CCn1ccc2ccccc21)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917381243 YPXFUTODOWLAKO-UHFFFAOYSA-N 431.458 4.203 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 917386650 RCGAXJIPWVRUMN-UHFFFAOYSA-N 441.597 4.446 10 20 IICD CCCCc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918138079 HZDWKSJAMUPSDE-UHFFFAOYSA-N 426.532 4.284 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2F)C[C@H](C)O1 918140360 LUCUSZQJNNWBHN-KBPBESRZSA-N 447.457 4.452 10 20 IICD C[C@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920866052 UZBRHPAPBQXJEL-AWEZNQCLSA-N 446.516 4.175 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920924733 DWYATJXENQEQNO-INIZCTEOSA-N 443.975 4.117 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1320249440 ZVZIFOHEQLYBRC-AEFFLSMTSA-N 434.627 4.317 10 20 IICD Cc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1801777675 GNZQVQXYSFKFRB-FZDIXFNVSA-N 442.943 4.115 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 437025265 LSSHLWTWKCHHRJ-UHFFFAOYSA-N 442.585 4.304 10 20 IICD C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc([N+](=O)[O-])c1 726613186 OKBTULRGNVWJHP-AWEZNQCLSA-N 434.443 4.225 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H](c1ccccc1)[C@H]1CCCO1 726708645 FKIFGJVEKISZPZ-YADHBBJMSA-N 445.510 4.476 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2c(C)cc(C)cc2C)nc1-c1ccccc1 727251103 QWAIUXFNXMINFS-UHFFFAOYSA-N 430.551 4.252 10 20 IICD CCn1c(SCC(=O)N[C@@H](C)c2cc(OC)ccc2O)nnc1-c1ccc(Cl)cc1 728980102 VOKUBPSKVCXQAQ-ZDUSSCGKSA-N 446.960 4.302 10 20 IICD C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1 729343856 FNASKVGXNABWEN-INIZCTEOSA-N 425.916 4.252 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 732114595 IOQBIAYCCBCONU-UHFFFAOYSA-N 446.551 4.172 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 735000459 CGOYTTJSOIQCBR-RTBURBONSA-N 425.548 4.278 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1C(F)(F)F 741545077 YQGKVDVAUJPACR-SJLPKXTDSA-N 447.501 4.217 10 20 IICD Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cnn1C(C)(C)C 742753825 LQQNKUUDIACXNS-HXUWFJFHSA-N 443.592 4.008 10 20 IICD Cc1cc(COc2ccc(C(=O)N(C)Cc3ccccc3O)cc2Br)no1 742807783 WAUIMUXTVJLPDD-UHFFFAOYSA-N 431.286 4.302 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 743332984 IKWHGJRESOETEQ-UHFFFAOYSA-N 448.958 4.389 10 20 IICD COC1CCN(C2(CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CCCC2)CC1 745807332 AASCSGSDBXAVIN-UHFFFAOYSA-N 430.637 4.096 10 20 IICD CCCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccc(C)o1 746166466 XYZTUQXPQGVNIP-IBGZPJMESA-N 431.552 4.043 10 20 IICD C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 746187792 UNWKIABTIXHKRJ-JPYJTQIMSA-N 426.532 4.308 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1[N+](=O)[O-] 746791856 WXJNOYUVDSLECA-UHFFFAOYSA-N 433.424 4.274 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 748612043 FPXVASHUJKDCDL-UHFFFAOYSA-N 437.474 4.284 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nc(NCc2ccco2)ncc1Cl 751302227 MGJPEROZLNDUGK-UHFFFAOYSA-N 445.870 4.297 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)n1-c1ccccn1 751405932 OWRJMLKZJCFMQM-HSZRJFAPSA-N 432.568 4.377 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 755286613 ZPJGTJSUWSCJHT-OAHLLOKOSA-N 429.517 4.351 10 20 IICD C[C@H](NCc1nnc2n1CCCCC2)c1cc(Br)cc(Br)c1O 756357143 KZICBCRDRPAMPU-JTQLQIEISA-N 444.171 4.086 10 20 IICD COCCn1cc2c(n1)[C@H](NC(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCC2 759248047 ZWCAYPNTGKVWHG-HSZRJFAPSA-N 439.604 4.175 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 760305321 PILVSQNKPBXENE-UHFFFAOYSA-N 442.971 4.058 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCOc3c(Cl)cccc31)c2[N+](=O)[O-] 760961371 XCABMXLOSFKLOH-UHFFFAOYSA-N 448.818 4.063 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccnc(OC2CCCCC2)c1 761205965 UVWLCQUFXWARPL-UHFFFAOYSA-N 429.904 4.117 10 20 IICD C[C@H](CCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765977302 DMWJXWBPORRQRQ-QGZVFWFLSA-N 440.531 4.051 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(-c2ccc(F)cc2F)n1 766481893 LAORCEAVCGQBNK-UHFFFAOYSA-N 448.420 4.151 10 20 IICD C[C@@H](NCCOc1ccccc1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 769218613 VVMIBNLPJMKKOP-LJQANCHMSA-N 426.557 4.208 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3cc(O)ccc3Br)SC2=S)c1 769778441 XKXYBOICRLZTKS-ZSOIEALJSA-N 436.308 4.259 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(N(C)C)cc1 773844424 AXAQRIZSJKGIGB-GFCCVEGCSA-N 429.389 4.223 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1csc(N2CCOCC2)n1 774088833 KKTMLLDCZDHENT-GOSISDBHSA-N 437.565 4.018 10 20 IICD CCN(CC)Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC 775380531 WWOUKBLQUJJNHP-IBGZPJMESA-N 443.607 4.488 10 20 IICD CCO[C@H](C)c1noc(CN(C)Cc2cc(Br)cc(Br)c2O)n1 775724578 IBHRZIXLGYNGRU-SECBINFHSA-N 449.143 4.030 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@H]2SCCS[C@@H]12 776257652 ZWLQZASFIYRDMB-BZPMIXESSA-N 439.238 4.386 10 20 IICD CC(C)[C@@H]1C[C@@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782000864 JSEWZIXDPQHUQM-NYVOZVTQSA-N 447.620 4.276 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 784026095 QKQVTSKMTZOYTN-UHFFFAOYSA-N 430.504 4.371 10 20 IICD CC[C@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)c1ccccc1 785408488 UNOJHAUDBCVPKU-SFHVURJKSA-N 445.518 4.073 10 20 IICD Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cs1 788466080 SPXQPVBWMUIBOL-KRWDZBQOSA-N 448.592 4.212 10 20 IICD Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCCCC2)cc1 793617645 RAMHCPGTPSTJCR-JOCHJYFZSA-N 439.604 4.204 10 20 IICD COc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c(O)c1 794382480 XUDNWTUEGRNHOD-UHFFFAOYSA-N 436.533 4.370 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(Br)ccc1O 798249011 VGAXHBGDGZEWNE-UHFFFAOYSA-N 449.345 4.157 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(Br)c(F)cc1O 798940061 QKZFPZYHGGWRHJ-BUXKBTBVSA-N 437.309 4.385 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(O[C@H]4CCOC4)CC3)cc2Cl)C1 799995157 YXAPUFVFBSXGKO-PXNSSMCTSA-N 435.996 4.056 10 20 IICD C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 800883361 XIHLCCRLCHWNAF-MRXNPFEDSA-N 427.511 4.119 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)ccc21 801035769 WFXIFSRVPXNYJC-VWLOTQADSA-N 443.588 4.281 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(Cc2ccc(F)cc2)CC1 804929861 RRAAMOGXPWYJGK-UHFFFAOYSA-N 426.319 4.302 10 20 IICD CSc1nnc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1CC(C)C 806847245 LWGXMRCWTAWEKK-UHFFFAOYSA-N 446.404 4.100 10 20 IICD COc1cc(OC)c(OC)cc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 807164867 ARIZFKIRRJBNOY-UHFFFAOYSA-N 427.545 4.044 10 20 IICD COc1cccc([C@@H]2[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)CC(=O)N2C2CC2)c1 807840716 ICXVRASEIIJYNX-YLJYHZDGSA-N 449.334 4.076 10 20 IICD Cc1noc(C2CCC(NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)CC2)n1 813864303 RYPAYDGSWGKIFC-GRERDSQWSA-N 443.592 4.326 10 20 IICD Cc1ccc(-c2noc(CS(=O)(=O)CC(=O)c3cc(C)n(-c4ccccc4)c3C)n2)cc1 914469134 AHNNXYTZDWCMPQ-UHFFFAOYSA-N 449.532 4.250 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1Br 916681376 VFTBMCAZBNHGBU-UHFFFAOYSA-N 436.325 4.119 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(-n2ncc3c(O)ncnc32)cc1 917513236 RXKCKOBJYMGCPM-UHFFFAOYSA-N 430.493 4.242 10 20 IICD COc1ccc(N2CCC(NC(=O)NC3CCN(CC4CCCCC4)CC3)CC2)cc1 110464758 IMCHASYSKYSKIL-UHFFFAOYSA-N 428.621 4.008 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)C1 435824117 GPAABNOYASWRQZ-ZBLYBZFDSA-N 431.580 4.302 10 20 IICD Cc1c(CNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)n(C)c2ccccc12 473258568 BCLOJHFEVDNBTM-UHFFFAOYSA-N 433.899 4.112 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)n(C)c2ccccc12 572033268 BBHISFORMZJCLJ-FQEVSTJZSA-N 431.536 4.056 10 20 IICD O=C1/C(=C\c2cc(Cl)c3c(c2)OCCCO3)SC(=S)N1CCc1ccccn1 726197022 JTTLKFURMQWCPC-SFQUDFHCSA-N 432.954 4.340 10 20 IICD Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)co2)cc1 726709483 WYZDBUAXJXWFSP-LJQANCHMSA-N 434.540 4.090 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1 728833596 IDUUWAIMAJVURK-UHFFFAOYSA-N 429.520 4.220 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1F 731345701 FYDOPIZWULXGOC-UHFFFAOYSA-N 429.492 4.109 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nnc(-c3cccs3)n2CC)cc1F 731346540 YRGKORCOPZHXBA-UHFFFAOYSA-N 447.605 4.420 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F 731363552 IVNKLAYAMNGGSN-QGZVFWFLSA-N 436.572 4.118 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 731683075 ZTJLPOKDOZJHFB-UHFFFAOYSA-N 434.382 4.039 10 20 IICD C[C@@H](NC(=O)NC1(c2cccc(Br)c2)CC1)c1ccc(N2CCOCC2)cc1 741081867 ZRHSCUHLSLMWTA-MRXNPFEDSA-N 444.373 4.335 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)ccc21 741136229 LGFJZOJLYCDEHQ-UHFFFAOYSA-N 427.570 4.167 10 20 IICD Cc1cnc([C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C2CC2)s1 745799105 GRUZOXBIZIFMQN-GOSISDBHSA-N 436.528 4.472 10 20 IICD CCOc1ccc2nc(-c3ccc(NC(=O)C(=O)NCc4ccccc4O)cc3)sc2c1 748486227 NPLGYRBVMSQUKD-UHFFFAOYSA-N 447.516 4.323 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)cc1 750034906 BIOKMOMOQDJRLF-CQSZACIVSA-N 438.977 4.130 10 20 IICD C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)c(F)cc1O 756547342 BFTWLDDTRGPGTD-AWEZNQCLSA-N 437.353 4.101 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1ccc(C)c(C)c1O)CC2 756709093 WHHNPQAEIVRCCA-GOSISDBHSA-N 426.557 4.042 10 20 IICD CC(C)(c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1)C(F)(F)F 760237262 ISTSBFMFXQGQJL-UHFFFAOYSA-N 431.458 4.158 10 20 IICD COc1ccc(N2CCC(NC(=O)N(CCCO)[C@@H]3CCCc4ccccc43)CC2)cc1 763075976 ICLUCCFPMYXLLU-RUZDIDTESA-N 437.584 4.136 10 20 IICD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc(N3CCOCC3)cc2)c1 763495334 CNOJQJOCPPLDHH-IBGZPJMESA-N 440.563 4.087 10 20 IICD CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 767975349 FGAYUQRWCCCEGJ-NRFANRHFSA-N 440.540 4.342 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 768165915 VQRKMVAPIVLOAH-HNNXBMFYSA-N 437.874 4.299 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Br)cc2Br)c1 768398938 VAOKTPBYTZIEGW-VIFPVBQESA-N 429.108 4.417 10 20 IICD Fc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775374910 GIWLPSHDURSGKT-HSZRJFAPSA-N 435.522 4.249 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H](c3ccc(F)cc3)CC2)c1 777971327 WVYKUQBBQHIIHF-FQEVSTJZSA-N 440.559 4.336 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)C[C@H](C)CC5)c2)CC1 781267868 DWDKMKPCAOUPDU-QGZVFWFLSA-N 430.552 4.214 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(N)cc1 783486572 OOFSSSKDYODEKV-IBGZPJMESA-N 439.519 4.247 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CSC2CCOCC2)c1 784026659 XFCFDSOBGFOATB-UHFFFAOYSA-N 442.581 4.182 10 20 IICD Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc21 784110101 BEZIDVHIXCHBBE-UHFFFAOYSA-N 431.540 4.195 10 20 IICD C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(N2CCOCC2)cc1 795592346 IWSXPXQGYUVZAY-INIZCTEOSA-N 444.457 4.219 10 20 IICD Cc1ccc([C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 798088213 JXTKFYOIXCHPAU-MGPUTAFESA-N 428.520 4.344 10 20 IICD COC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)N(C4CC4)C3=O)cc2)cc1 799203635 DMWCZCGBHDQYAA-XDHOZWIPSA-N 425.531 4.416 10 20 IICD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cccc1[N+](=O)[O-] 800636658 MZLDVQYNIPZATM-AWEZNQCLSA-N 444.919 4.048 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C2CCC2)n1CCc1ccccc1 802269737 AFOOFKYHUSZVKG-UHFFFAOYSA-N 431.584 4.261 10 20 IICD Cc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C 806847269 DOZZFUVCUYDBCB-FQEVSTJZSA-N 433.552 4.369 10 20 IICD Cc1cc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c(C)n1-c1cccc(Cl)c1 808052033 LILKKGPRAKBUEQ-UHFFFAOYSA-N 436.947 4.020 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cc(Cl)cc(Cl)c1O 808090140 QFPFTQXLCXLRAG-UHFFFAOYSA-N 427.212 4.216 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCCC[C@@H]1c1ccncc1 918221005 PZLHDWVSWAEMNX-JOCHJYFZSA-N 426.536 4.009 10 20 IICD CC[C@H](NCc1cccc(CN2CCN(C)CC2)c1)c1cc(Br)ccc1O 1116674302 XXDRFEWRJZFXNP-NRFANRHFSA-N 432.406 4.143 10 20 IICD CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1319009676 YUVJLQFTIHYSFS-UHFFFAOYSA-N 441.534 4.008 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(-c4cccs4)c3)CC2)cc1 726728748 ZXXWROACOLBWLG-UHFFFAOYSA-N 435.549 4.147 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)CC1 730117967 RNHUVGLCVBLKCU-FQEVSTJZSA-N 438.469 4.070 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 732560320 NYCMPZYDOPYTMP-OAQYLSRUSA-N 444.579 4.325 10 20 IICD COc1ccc(O)c(CNC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)c1 734017470 JJIMZPLQXLNZIE-UHFFFAOYSA-N 435.311 4.342 10 20 IICD CCc1nc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742755946 ZZABOABGARIKEB-QGZVFWFLSA-N 432.590 4.076 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801429 ZGCJLBJDVNFSNW-ZDUSSCGKSA-N 429.389 4.409 10 20 IICD O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NCc1c(O)ccc2c1CCCC2 743603214 YOHBNWHFXOMJCT-UHFFFAOYSA-N 426.904 4.016 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 750715330 BWMNYSCSZZCJQM-UHFFFAOYSA-N 449.642 4.087 10 20 IICD Cc1nc(CN2CCC(CN[C@@H](C)c3cc(Br)cc(F)c3O)CC2)oc1C 756568614 GOTVMQQBABQRMT-ZDUSSCGKSA-N 440.357 4.461 10 20 IICD C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc(Br)ccc1O 756642690 QVZUKHACSMOHBJ-ZDUSSCGKSA-N 446.370 4.392 10 20 IICD C[C@@H](C(=O)Nc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)cc1)n1cncn1 756851824 VSWVYRBIYFVRNQ-NEPJUHHUSA-N 448.296 4.258 10 20 IICD O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 760354400 XFYPUICDYFPWOZ-RDGATRHJSA-N 446.482 4.462 10 20 IICD CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 761998942 CASDHUHZCBCMNK-CQSZACIVSA-N 441.933 4.049 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCc4c(F)cc(Br)cc43)cc2)C1 765240782 BBMALBJRUNAWOB-BTYIYWSLSA-N 446.364 4.067 10 20 IICD CCCc1c(NC(=O)NCc2cccc(Br)c2O)cnn1-c1cc(C)ccn1 765346157 TYZLIVZUVLCPCY-UHFFFAOYSA-N 444.333 4.318 10 20 IICD C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 766127162 APKODSACRNMNQC-KRWDZBQOSA-N 433.955 4.003 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1c(Cl)cc(F)cc1Br 767242499 ZHBPPFXDYWDWRS-UHFFFAOYSA-N 447.757 4.320 10 20 IICD Cc1c(-c2cc(CN3CCCc4cc(CNC(=O)OC(C)(C)C)ccc43)on2)cnn1C 767322585 SJEKKRCTTSKNDG-UHFFFAOYSA-N 437.544 4.361 10 20 IICD CCN(C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1)CC(F)(F)F 769515360 OTPZKAUALYHXIC-SFHVURJKSA-N 428.499 4.291 10 20 IICD CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)no2)c1 770634701 WVCVPHQOGSIISZ-UHFFFAOYSA-N 433.508 4.327 10 20 IICD C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 774542580 LBPJNASGRGEWLC-FQEVSTJZSA-N 433.552 4.012 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 775368599 BMAITHZGNRLARO-KDOFPFPSSA-N 425.510 4.084 10 20 IICD O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 776633764 XBEUSNPWIGGIQF-PZJWPPBQSA-N 429.948 4.015 10 20 IICD CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1 778619892 AYRBCPWVGFSJEQ-UGBDLMATSA-N 435.584 4.222 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(Br)cc(C)c1O 779038781 NCHMVPKWEZTCNQ-ZBFHGGJFSA-N 426.376 4.366 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)c2)CC1 781047309 OALHQJJWDQNBQZ-UHFFFAOYSA-N 434.927 4.323 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 785566398 OTLSNCPERGZBRN-HNNXBMFYSA-N 439.453 4.284 10 20 IICD CC(C)(C)C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 788253178 YYILAEUZURZVQV-QFIPXVFZSA-N 425.548 4.336 10 20 IICD COc1ccccc1-n1nccc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 797397900 IRUCGKONHRGHNW-ZHZULCJRSA-N 436.562 4.353 10 20 IICD Cc1cccnc1-c1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C[C@H]1CCOC1 802763247 UQPLBCHVGZJERI-JOCHJYFZSA-N 446.599 4.312 10 20 IICD O=C(NCc1cc2c(cc1OC(F)F)OCO2)NCc1cc(Cl)cc(Cl)c1O 805196396 FCFWJOILERQZRP-UHFFFAOYSA-N 435.210 4.029 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3OCC(F)F)CC2)cc1 806826398 NPCJZVOXBCNURX-UHFFFAOYSA-N 425.863 4.347 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 810411576 SIQKDNWMMPQYJG-UHFFFAOYSA-N 434.540 4.469 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 813685123 CAIUDOXEVBSUFG-OAHLLOKOSA-N 445.755 4.184 10 20 IICD O=C(COc1ccc(Cl)c(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 815044868 JMGXTPBCGCWQJX-UHFFFAOYSA-N 446.828 4.030 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCSc4ccccc43)cc2F)C[C@@H](C)O1 918184966 VRDRTBDCKRRGIF-GQIGUUNPSA-N 429.561 4.476 10 20 IICD CCN(c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)C(C)C 918293909 IUKMCUOHDHWXFD-UHFFFAOYSA-N 435.524 4.387 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](COc1ccccc1F)c1ccccc1 919789708 ACUOZLZRIWTOOT-DEOSSOPVSA-N 449.526 4.282 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(C)n1-c1cccc(Cl)c1 919977536 ONEDUFQIHNSKOW-UHFFFAOYSA-N 425.916 4.375 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cscn2)cc1 1796243145 VECXJKDAQIMJCC-QYEXWFEISA-N 448.592 4.045 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)SC2=S)cc1 3769003 XFZPPMPTECHCKK-UYRXBGFRSA-N 426.519 4.402 10 20 IICD O=C(CSc1ncnc2sccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 23561814 FRYCLJGTSXBKMD-UHFFFAOYSA-N 431.498 4.198 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2csc(-c3ccccn3)n2)cc1 302645408 CDAOFUKPLQDEQV-OAQYLSRUSA-N 436.581 4.021 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Cn4nc(C)nc4C)c3)ccc21 427173611 ASLNISFCQYOOKM-UHFFFAOYSA-N 431.540 4.413 10 20 IICD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 472789163 LHQAHRNHMRETRR-UHFFFAOYSA-N 434.540 4.035 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)n(C)c2ccccc12 472814046 VUKWLYHXJKTXRD-UHFFFAOYSA-N 434.721 4.158 10 20 IICD Cc1cc(-c2nc(-c3cccc(-n4ccnc4)c3)no2)ccc1NC(=O)C1=S=CC=C1 544785884 OWSOMFRIZDTXHB-UHFFFAOYSA-N 427.489 4.114 10 20 IICD COc1ccc(Br)c(CNCc2cc(Br)cc(OC)c2O)c1 725849542 PSCBEJHFQAFRAD-UHFFFAOYSA-N 431.124 4.224 10 20 IICD CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 726266055 GNIZCAMJHRGTFQ-LJQANCHMSA-N 430.593 4.074 10 20 IICD O=C1/C(=C\c2csc(C3CC3)n2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801293 GLZRYRFVKHZIDI-LICLKQGHSA-N 430.576 4.236 10 20 IICD CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 729604510 BPOPTFRTZJUULW-HXUWFJFHSA-N 430.593 4.000 10 20 IICD O=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccc1O)C[C@H]1CCCO1 731859599 XCDMGOXWUPQBHW-HXUWFJFHSA-N 439.487 4.112 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 734016054 IASPFCJHIUTYHV-UHFFFAOYSA-N 442.581 4.119 10 20 IICD Cc1ccc(Nc2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2)nn1 736069452 JQTJHONNFSPWAK-ROUUACIJSA-N 449.530 4.211 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 742497387 HNSXNWWFTQCHBV-UHFFFAOYSA-N 428.602 4.319 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)C2(c3cccc(F)c3)CC2)NC(=O)OC(C)(C)C)cc1 742749253 DRJGPRSTBDJBLZ-OAQYLSRUSA-N 441.547 4.306 10 20 IICD Cn1cc(-c2cccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)cn1 742805115 GRYBLYNMPLLPML-IBGZPJMESA-N 426.467 4.087 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1C 742897012 FQMAKOWIFXBRMN-UHFFFAOYSA-N 446.595 4.281 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(=O)OC)ccc1F 743098176 MPIKENGWYVOCLQ-UHFFFAOYSA-N 425.254 4.134 10 20 IICD Cc1cc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c(C)n1-c1ccccn1 744076305 UABISGKIVGGWQF-UHFFFAOYSA-N 431.565 4.498 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)CC2)cc1F 753885288 PSIXPXNDGSVDLP-UHFFFAOYSA-N 431.556 4.437 10 20 IICD O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754533976 AHFJPOHFGMIFBX-UHFFFAOYSA-N 425.469 4.162 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 755538804 RFFXCONAJPKTFW-LJQANCHMSA-N 448.567 4.275 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1ccc(Br)cc1O 756638888 WUTZKWXPOLHTDE-NSHDSACASA-N 427.726 4.496 10 20 IICD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 756858423 PHGHJZNIERSJMH-LSDHHAIUSA-N 430.480 4.426 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4c(ccc5ccccc54)[nH]3)CC2)cc(OC)c1OC 760083104 BETDKRBTANPLFK-UHFFFAOYSA-N 445.519 4.309 10 20 IICD CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCc1ccc(N2CCSCC2)cc1 760384709 QOXQQFIJJLIJQZ-UHFFFAOYSA-N 430.643 4.288 10 20 IICD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCC2)c1 762497892 SNVLZINWHKBYJX-UHFFFAOYSA-N 429.498 4.103 10 20 IICD Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765978729 HHDRPOZKLYVBPN-QGZVFWFLSA-N 441.622 4.204 10 20 IICD C[C@H](N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(N2CCOCC2)cc1Cl 766136865 KOWDYBNAEHTVTM-ZYLNGJIFSA-N 444.019 4.117 10 20 IICD Cc1cc(CC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 766243447 NCNPXCBNCGHAJQ-HXUWFJFHSA-N 428.882 4.452 10 20 IICD Cc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1N(C)C(=O)/C=C\c1cncc(F)c1 769731316 RDHKSKNAGJRZOG-VVRUXRSYSA-N 448.473 4.416 10 20 IICD COc1cccc([C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2cc(F)ccc2OC)c1 771843373 PECTZRUOWDTIDO-MHZLTWQESA-N 449.570 4.474 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]3C)ccc21 772191605 PNAQQJHAVDEULT-OXJNMPFZSA-N 443.588 4.422 10 20 IICD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)c1C 773988055 IWBOTPKYFBSONT-KRWDZBQOSA-N 448.567 4.152 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc1-c1ccccc1 775206549 CBFRQCLXOGFAJV-UHFFFAOYSA-N 446.510 4.094 10 20 IICD CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)ccc1O 775500657 WDNFUDHPZYAIJX-VQTJNVASSA-N 431.374 4.429 10 20 IICD CS(=O)(=O)C[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 775547994 GXQKAKPQKVUDML-QFIPXVFZSA-N 436.537 4.416 10 20 IICD CCOc1ccc(CN2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c(O)c1 779613673 PTHCOQSMCRDSRT-HSZRJFAPSA-N 437.540 4.176 10 20 IICD C[C@@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1[N+](=O)[O-] 785407634 LDNQQSZUXKVLDK-GFCCVEGCSA-N 448.478 4.081 10 20 IICD C[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(Br)cc1O 786982731 RPWPDRDKCYQKGL-SGTLLEGYSA-N 439.300 4.275 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3cc(Br)c(Cl)s3)SC2=S)CC1 790108164 NHZQOMGILLSYNT-XFFZJAGNSA-N 437.837 4.459 10 20 IICD CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 791139163 YPARZQNZBAAPQK-XMMPIXPASA-N 443.551 4.082 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1C 800635977 COLPEKXXGAZFSQ-HNNXBMFYSA-N 441.959 4.342 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1Cl 806845408 MQDRQZTVYYDOQX-GCJKJVERSA-N 444.959 4.067 10 20 IICD C[C@@H](Cc1ccc(F)cc1Br)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 808380931 IUENLFNXTGWOQK-YJBOKZPZSA-N 448.380 4.011 10 20 IICD Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1F 808895046 WRWGUGBRQVBYSY-MRXNPFEDSA-N 441.482 4.178 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)C1 814283919 LIQWTIFSVJZKBT-UHFFFAOYSA-N 442.604 4.219 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1conc1Cc1ccccc1 815115899 QDFRAGYJCHTWGR-UHFFFAOYSA-N 431.458 4.411 10 20 IICD COc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)nc1 815522777 LOCIDBKHDYDLCT-UHFFFAOYSA-N 434.279 4.239 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)C3CCN(c4cnccn4)CC3)c2C)c1 914901123 MJRQAFKYDXNQKK-UHFFFAOYSA-N 446.551 4.143 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 915336019 STCVQWGYJHETGN-UHFFFAOYSA-N 431.540 4.250 10 20 IICD CCN(Cc1cccc(Cl)c1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 916198084 HQFNFHXTJPNFQV-UHFFFAOYSA-N 445.007 4.092 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 917007177 ZGFROXCIBNIGHE-IXDOHACOSA-N 449.517 4.027 10 20 IICD Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)c(C)c1 917607543 ONCXVCSUNOEJNQ-QGOAFFKASA-N 436.537 4.464 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc2ccccc12 918117360 CONDFQSSAGRSRY-WIYYLYMNSA-N 430.552 4.102 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)cc1 918309727 HPAAOLVWOCMVRB-UHFFFAOYSA-N 440.544 4.393 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(NCc2ccc(F)cc2)s1 16336454 DTUYGLWDAQMTCE-UHFFFAOYSA-N 445.589 4.106 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C(=O)c2ccc(Br)cc21 28707082 SBBXUPKLNLYZAI-UHFFFAOYSA-N 442.357 4.058 10 20 IICD COc1ccc(N2CCC(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1 110353237 QJKMXGNSZDKWTI-UHFFFAOYSA-N 438.959 4.301 10 20 IICD COc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OCC(F)(F)F 542924458 HWBBTFAZRNJBDQ-UHFFFAOYSA-N 425.407 4.133 10 20 IICD Cc1cc(-c2nc(-c3ccccc3-n3cccn3)no2)ccc1NC(=O)C1=S=CC=C1 546371184 JFZDSKPQLUNODQ-UHFFFAOYSA-N 427.489 4.114 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)nc1-c1ccc(F)cc1 727245908 IZKAEGDLVBWQAF-UHFFFAOYSA-N 428.514 4.303 10 20 IICD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2C1 727946244 BPWNGBPBYMIYRQ-IBGZPJMESA-N 448.611 4.242 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 730134115 NVTIMTTVSLMJMU-UHFFFAOYSA-N 429.008 4.460 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3c(c2)nc(O)n3C)cc1 732114334 CWBVKFINQHOMLO-UHFFFAOYSA-N 430.508 4.201 10 20 IICD Cc1oc2c(CN3CCC[C@@H](N4CCCCC4=O)C3)c(O)ccc2c(=O)c1-c1ccccc1 732797803 JCPWJOFTDZHNPG-HXUWFJFHSA-N 446.547 4.451 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 734702369 ZJNSYWGARPPBSZ-KOSHJBKYSA-N 437.584 4.411 10 20 IICD O=C1/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 735332030 VSQBDAQTUAUFEA-NAGKPISUSA-N 441.530 4.379 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 740914736 FBQWEDKEAPMAOI-OAQYLSRUSA-N 442.966 4.319 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3ccc(O[C@H](C)C(N)=O)cc3)c2C)cc1 742361288 TUYVAJCGSCTSIL-GOSISDBHSA-N 436.508 4.007 10 20 IICD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)C1 749731210 LTSOYVJQEYEBTL-VQIMIIECSA-N 447.626 4.476 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 753637335 QVTUESCTGJBVIC-KRWDZBQOSA-N 443.503 4.320 10 20 IICD Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754052856 RUQULWWWBYCKDO-QRWLVFNGSA-N 444.576 4.233 10 20 IICD C[C@@H](NCCC(=O)NC1CCCCC1)c1cc(Br)cc(Br)c1O 756440587 FPFDQHSTVFUPEU-LLVKDONJSA-N 448.199 4.407 10 20 IICD C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)c(Cl)c1O 756464739 HGJGUFZROCECNE-OAHLLOKOSA-N 425.356 4.261 10 20 IICD Cc1nc(CN2CCC(CN[C@H](C)c3cc(Br)c(F)cc3O)CC2)oc1C 756568145 CEKWHQABACBLOV-CYBMUJFWSA-N 440.357 4.461 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c1 756735711 HCTLPZNEGAGIGG-GTNSWQLSSA-N 425.312 4.172 10 20 IICD Cc1c([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nnn1-c1ccccc1 765072799 FFPHUVDPAAHDEI-INIZCTEOSA-N 445.489 4.282 10 20 IICD Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1NC(=O)NC(C)(C)C 765737679 VKPKCBMSZLQBOO-UHFFFAOYSA-N 434.334 4.313 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1O 765747998 SUFKQPHVKKRZDH-UHFFFAOYSA-N 425.304 4.495 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(Br)c(Cl)c1 771862186 PSWNQDYBGLWTOJ-UHFFFAOYSA-N 430.085 4.430 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Br)ccc1O 775490348 CBNFAFJFROOZQL-OXQOHEQNSA-N 446.389 4.097 10 20 IICD CC[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cc(Br)ccc1O 775493461 SQDFLSPIUHPPTP-OAQYLSRUSA-N 432.406 4.143 10 20 IICD Cc1cc(Br)cc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O 775740394 VUSDHNJFZZZYFI-OAHLLOKOSA-N 430.751 4.077 10 20 IICD CCCc1nc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 777134873 VEZKIKWRBHUEFW-UHFFFAOYSA-N 428.602 4.428 10 20 IICD C[C@@H](NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 778627045 OVJQFZRBMAQEOI-DYESRHJHSA-N 435.490 4.447 10 20 IICD O=C(CN(Cc1ccccc1F)C(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccccc1F 779500297 ONMGZNBAKPNBHF-ZRDIBKRKSA-N 438.430 4.057 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 779528519 KQEJESZXHXRYBP-YWEYNIOJSA-N 428.897 4.395 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 783315397 BOTWUJXSORGLOA-UHFFFAOYSA-N 449.580 4.070 10 20 IICD Cc1cccc(C(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(C)c2)c1 788930925 BNXPNWVDWKTNEH-UHFFFAOYSA-N 441.575 4.426 10 20 IICD Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccc(Cl)s2)n1 789738590 XSYWIUMYZLRITB-UHFFFAOYSA-N 433.002 4.285 10 20 IICD CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1F 789896318 ZEMBKYCOYFUCMC-JTQLQIEISA-N 429.275 4.132 10 20 IICD CCCOCc1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 790248101 YOQKAWQJXQGKOY-UHFFFAOYSA-N 438.568 4.297 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1O 795693795 JCRHFCFJGSBENT-GMKZXUHWSA-N 429.516 4.333 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 804626361 HTFDFJKPGIVPSU-QHHAFSJGSA-N 426.822 4.132 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 807289188 LNBOLYPMQWKSFJ-UHFFFAOYSA-N 425.532 4.023 10 20 IICD CC1(C)CCCc2sc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)nc21 810313312 CGGYWQAINMEXPD-UHFFFAOYSA-N 432.565 4.179 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1c2ccccc2CC12CCOCC2 811865131 VRXDBAIQCKCWSP-QHCPKHFHSA-N 437.609 4.133 10 20 IICD Oc1cc(F)c(Cl)cc1CNCc1ccc(Br)cc1N1CCOCC1 816557583 VUOQUGKWMHQNKA-UHFFFAOYSA-N 429.717 4.074 10 20 IICD COCCOc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 918547078 SCYABMFAMUUZAZ-UHFFFAOYSA-N 435.977 4.240 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2COc2ccccc2)C2CC2)cc1 919665295 XRVAXGYCPHRCLA-UHFFFAOYSA-N 443.547 4.461 10 20 IICD Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920881496 NTPQFOBTWIIHGP-GOSISDBHSA-N 449.551 4.127 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCCS2)cc1 1803330617 FPGUXTVIEIEESZ-MALNDZBISA-N 437.609 4.242 10 20 IICD CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1831931319 XAEXXLKXBOTBIF-LJQANCHMSA-N 448.991 4.421 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1)c1ccccc1 471783518 XUDBJHIKSKXFGJ-QFIPXVFZSA-N 446.595 4.471 10 20 IICD COc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC1=S 727490254 IGXHPZVXXKEAQG-CPNJWEJPSA-N 430.526 4.077 10 20 IICD Cn1ccc2c(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cccc21 727996935 YKSYADIHDISLBE-UHFFFAOYSA-N 425.400 4.114 10 20 IICD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 731859137 SPZFFBGTEPNBGF-FQEVSTJZSA-N 442.515 4.068 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCNc1ccccc1 732106815 UDDNMAHWCYZJEK-SDXDJHTJSA-N 445.635 4.348 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 732218156 VEGMCZLVFGHMTE-UHFFFAOYSA-N 430.492 4.392 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)cc1 733663789 JIVRHQAYCODIKC-UHFFFAOYSA-N 432.524 4.283 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733851317 UTBKUWYFXHNXCI-SFHVURJKSA-N 435.446 4.138 10 20 IICD O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735520067 VTTGTLVVOYZESW-KRWDZBQOSA-N 434.323 4.097 10 20 IICD O=C(Nc1ccccc1)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 742423478 MTKQCIIWHGZRKM-QGZVFWFLSA-N 439.466 4.411 10 20 IICD CCOC(=O)Cc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743180001 SRFPYZVITGNVIH-SFHVURJKSA-N 447.482 4.184 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c2cccnc12 743414717 UDBZEYWYZLZREV-UHFFFAOYSA-N 446.551 4.267 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(Br)ccc1OC(F)F 750335628 PAOAUBCINPVIKM-UHFFFAOYSA-N 442.304 4.458 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)ccc1OCC(F)(F)F 750896124 NRPATWKMMRBEFS-NVNXTCNLSA-N 426.441 4.437 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](Oc2ccccc2Cl)C1 752150790 UIIKVYYIGTTZGD-LJQANCHMSA-N 431.989 4.256 10 20 IICD CC(C)c1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(C(F)(F)F)cn1 753640989 XGDLEGIJNMURSZ-ZDUSSCGKSA-N 448.445 4.182 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3OCc3csc(C)n3)CC2)cc1F 753739528 GXYQEJVKQSFWBB-UHFFFAOYSA-N 441.528 4.141 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3COc3cccc(C=O)c3)CC2)cc1F 753749341 ZUNDLBXNKJAUOM-UHFFFAOYSA-N 448.494 4.188 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)ccc1OCC(=O)N(C)C 756474633 CNLQRBZDCAWEFG-LBPRGKRZSA-N 427.328 4.025 10 20 IICD C[C@@H](NC[C@H](O)c1cccc(F)c1)c1cc(Br)cc(Br)c1O 756476866 WISWPRJRUVWLBT-PSLIRLAXSA-N 433.115 4.441 10 20 IICD C[C@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 757642232 AVOGYHIJXBAYHT-FRRXJZEGSA-N 426.654 4.084 10 20 IICD Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1 759576686 ZAICRQJIYGLUIB-HNNXBMFYSA-N 425.023 4.413 10 20 IICD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)Cc2ccccc2O)c(C)c1 761894498 SXUBTOANHNWXAR-UHFFFAOYSA-N 434.540 4.089 10 20 IICD CC(C)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nc(-c2nc[nH]n2)no1 763144157 XRRXSDMYDGLPGM-IBGZPJMESA-N 445.487 4.196 10 20 IICD O=C(CCCc1ccccc1Br)NCc1ccc(N2CCC(O)CC2)c(F)c1 765722234 UUCJWDAUNMNTGM-UHFFFAOYSA-N 449.364 4.188 10 20 IICD Cc1cc(C(=O)NCCc2cn3c(n2)SCC3)c(C)n1-c1ccc(Br)cc1 767182256 CTJBHJXVHTWBMD-UHFFFAOYSA-N 445.386 4.131 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)c(F)cc1Br 771150284 KPMAKPOUBLXYMK-UHFFFAOYSA-N 446.294 4.225 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)cc2)CC1 771319353 FQSBOPOXNDAUCP-UHFFFAOYSA-N 439.575 4.341 10 20 IICD C[C@@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(N(C)C)cc1 773989722 QDGXSNZULVMDIB-CYBMUJFWSA-N 442.610 4.062 10 20 IICD CCSc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1 777708163 BYUATGMEKQFITD-INIZCTEOSA-N 436.528 4.263 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C)c1ccc(N)cc1 787559290 CNUUCFAOCMFQCH-INIZCTEOSA-N 445.548 4.464 10 20 IICD Cc1c([C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C(C)C)oc2ccccc12 788913812 ZIXJUVWHKUPAMB-QHCPKHFHSA-N 433.552 4.471 10 20 IICD Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 790638997 JJCLUDASHIPNOC-UHFFFAOYSA-N 428.308 4.216 10 20 IICD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 792210747 PHEBMLVJEFTOLU-UHFFFAOYSA-N 436.339 4.198 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(N(C)c3ccccc3)nc2)SC1=S 797785035 RNGBBKIRYJDOGN-LGMDPLHJSA-N 427.551 4.004 10 20 IICD COc1ccccc1-n1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1C 798428823 SERMXLYEYDFMIU-UHFFFAOYSA-N 446.473 4.460 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n(C(C)(C)C)n1 800636368 KJJHOVLEMNXHNB-OAHLLOKOSA-N 445.995 4.091 10 20 IICD COc1ccc(N2CCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3C)CC2)cc1F 800739934 VMMSFZBVBPXJHZ-HNNXBMFYSA-N 445.926 4.083 10 20 IICD CCc1oc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1C(=O)OC 800793350 PQYPEMWBWDIHJF-GZQZNAIASA-N 429.519 4.354 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CCN(CC)CC1 801981538 XKSAZHMATBTQSX-UHFFFAOYSA-N 438.616 4.042 10 20 IICD C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 807193714 GVFOIFIJVXKZTF-UUOWRZLLSA-N 437.559 4.214 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)c1ccccc1C(F)(F)F 808266668 RAUMXTZMGLMXMB-JKSUJKDBSA-N 435.490 4.038 10 20 IICD COc1cc(Cl)cc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1O 811510141 WRIRSISKIDKSAR-UHFFFAOYSA-N 427.810 4.499 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1F 815481698 PJPLBOBONRRXIV-UHFFFAOYSA-N 434.515 4.297 10 20 IICD CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 873994613 AYLJUHYBACTUOP-UHFFFAOYSA-N 444.559 4.168 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCc2sccc2C1 914447584 CSDLFDUULHBACL-WJDWOHSUSA-N 434.633 4.376 10 20 IICD CCCCN1C(=O)c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2C1=O 917361571 SXMDOZVCLJTFMC-UHFFFAOYSA-N 432.476 4.224 10 20 IICD Cc1cc(C)n(CCCNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1 917919592 MWUUSRPZYQWZRU-UHFFFAOYSA-N 429.362 4.490 10 20 IICD Cc1nccn1-c1ncccc1CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 919778224 ICIJKOASYQTHEY-UHFFFAOYSA-N 444.539 4.147 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccccc2Cl)on1 919969114 WQWUPRWRFLZMCX-UHFFFAOYSA-N 425.916 4.134 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2ccc(Br)cc2F)cc1 1251563511 JTRGEVPHQGKUPY-UHFFFAOYSA-N 441.366 4.149 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CC[C@H](C)C2 1317741973 UFCBZHGKRFSHJL-XJKSGUPXSA-N 426.538 4.138 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1)c1cc(O)nc(O)c1 1788429103 VGSUTDJIZKIAOA-SFTDATJTSA-N 443.503 4.044 10 20 IICD CC(=O)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790777286 RCVIDDWMOBKRBN-CYBMUJFWSA-N 444.915 4.114 10 20 IICD COc1ccc(N2CCCN(C(=O)CSc3nccn3-c3ccccc3C)CC2)cc1 108579768 RPGHPQFMLDUAKO-UHFFFAOYSA-N 436.581 4.020 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1cncc(Br)c1 320842067 OMPGGHQPZUMJFY-UHFFFAOYSA-N 430.736 4.422 10 20 IICD C[C@@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 726917090 XYPCDFKXTGNROR-MRXNPFEDSA-N 425.529 4.201 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccccc3-c3ccccc3)n2)c[nH]1 727247945 WEJUUQNSKYBCNF-UHFFFAOYSA-N 439.518 4.393 10 20 IICD Cc1nc(-c2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)oc1C 727839270 DBRIGJMQUABXLP-UHFFFAOYSA-N 438.503 4.380 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)c1 729534703 BRFNMBMPMMSCGW-LBPRGKRZSA-N 442.418 4.128 10 20 IICD C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 730481461 JSPSBIQCDWCMDO-CRAIPNDOSA-N 448.394 4.190 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1-c1cccc2cccnc12 731453523 IXXFIHYMVYSTQJ-UHFFFAOYSA-N 440.551 4.386 10 20 IICD CN(C)c1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1F 733324457 BQNMIDXBJYYPOC-UHFFFAOYSA-N 437.538 4.042 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(CSC2CCOCC2)c1 734936116 XBJBCOZTUQRJGS-UHFFFAOYSA-N 441.597 4.257 10 20 IICD CCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 741080024 VIZLPHWAQFHTMS-WUGFPGBASA-N 447.595 4.174 10 20 IICD O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742423034 AGQTYMSVRQDXRZ-AWEZNQCLSA-N 448.426 4.234 10 20 IICD O=C(Cc1ccc(Br)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798153 KQWDGYXBALDDDN-MRXNPFEDSA-N 439.300 4.378 10 20 IICD CC(C)NC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742799899 NGDPRDFEOCGIJD-SFHVURJKSA-N 446.498 4.217 10 20 IICD CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1O 743871182 VBUBJOSXTSTXGG-UHFFFAOYSA-N 431.330 4.053 10 20 IICD Cc1cc(C(=O)COC(=O)c2c(F)cc(F)cc2F)c(C)n1-c1ccc2c(c1)OCCO2 745150328 XRGNTNDCPMFBPH-UHFFFAOYSA-N 445.393 4.322 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 746314826 YYBQPDQDJFVHJH-OAHLLOKOSA-N 448.539 4.385 10 20 IICD Cc1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1-c1cccc(Br)c1 746626258 QRXFABNMEYXPAH-QGZVFWFLSA-N 441.373 4.295 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Oc2ccccc2)nc1 749421722 XVZKFTFGYABGPE-UHFFFAOYSA-N 432.524 4.052 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[C@H](O)c1cccs1 751085354 VCSYPKLMEQSABF-PMACEKPBSA-N 431.627 4.099 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Br)c(F)c3)CC2)cc1F 753891907 QANLSRBEQRSSRK-UHFFFAOYSA-N 426.261 4.090 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(-c2cccnc2)s1 761479039 YQSWKMXELFHFHF-OAHLLOKOSA-N 430.480 4.205 10 20 IICD COc1ccc(N2CCN(C(=O)C[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 763115978 IDTKEEFUZMCYFG-PMACEKPBSA-N 445.604 4.017 10 20 IICD C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 766238482 UGENSTBJQZOXGJ-GDBMZVCRSA-N 442.503 4.150 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)n2)cc1 767672507 UFTXALZMNJZILW-UHFFFAOYSA-N 429.523 4.101 10 20 IICD Cc1nc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)sc1Br 771757721 JYKDSYFJHRRBDL-UHFFFAOYSA-N 445.404 4.443 10 20 IICD CNC(=O)COc1cccc(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1 772067873 LGMBVILEQRMPTP-UHFFFAOYSA-N 445.523 4.223 10 20 IICD C[C@H](NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 772959751 NLVQBUARQXPFGC-MHECFPHRSA-N 447.982 4.040 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(F)c1F 776306224 MOJUEYQZHXEJOO-MRXNPFEDSA-N 427.474 4.071 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2)cc1 779020013 ORIQFLBDRTXHMG-OZXSUGGESA-N 429.564 4.276 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1nc2ccc(I)cc2s1 779505392 WFFFROYBSPXKBH-UHFFFAOYSA-N 439.278 4.270 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 780991038 WDJCONKOWGCGBZ-PGRDOPGGSA-N 440.540 4.118 10 20 IICD C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 781049273 LILGRHYOBHOOOS-VXGBXAGGSA-N 448.488 4.058 10 20 IICD CCOc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)ccc1OC 783484541 FFUDMXRLHZZQGB-KRWDZBQOSA-N 433.508 4.409 10 20 IICD C[C@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1 783915101 ITVIIZHHUGDVJL-SELNLUPBSA-N 449.555 4.141 10 20 IICD COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1OC(C)C 784105590 FLSAHIZIFSCRIZ-UHFFFAOYSA-N 425.529 4.227 10 20 IICD COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 787159990 PNLDFYPAERQHEL-JOCHJYFZSA-N 431.964 4.347 10 20 IICD O=C(c1c[nH]c2ncc(Br)cc12)N(Cc1ccco1)Cc1ccccc1O 792225869 MGOKAJGREZSSPE-UHFFFAOYSA-N 426.270 4.467 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c(C)n1-c1ccccn1 792783086 AFYGTTHRRCHXIP-HXUWFJFHSA-N 435.528 4.134 10 20 IICD O=C(NCCCc1ccccc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 792835037 KDZBDBZBZFAPJT-UHFFFAOYSA-N 439.453 4.113 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 797623183 LRCGYLGPEKEYIA-OAHLLOKOSA-N 437.471 4.171 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(CCC(F)(F)F)c1 807513058 RJBPPNUEBHPIAJ-UHFFFAOYSA-N 435.229 4.449 10 20 IICD COCc1nc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cs1 810253635 ZIBAOFVMNOUYGT-QMMMGPOBSA-N 436.169 4.371 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)ccc1O 811704525 DMUMKETXIGIKBH-UHFFFAOYSA-N 436.274 4.159 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCOc1ccccc1 914445719 BLFBGPXEKPHMGL-OBGWFSINSA-N 446.619 4.315 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1OC 914578353 ZIGWMPLZHWZITE-UHFFFAOYSA-N 430.551 4.425 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H](c1ccccc1)C1CC1 916231318 PIMPUHXXQDOGAO-NRFANRHFSA-N 433.474 4.493 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 916497441 JJFNGSJLBTWVDB-VGSWGCGISA-N 437.540 4.193 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)cc3)cc2F)C[C@H](C)O1 917710657 CMFRZCUUKDGBIN-GJZGRUSLSA-N 440.437 4.310 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3coc(-c4cccs4)n3)cc2F)C[C@H](C)O1 918200392 GILASJDRKNYNQB-GJZGRUSLSA-N 444.532 4.155 10 20 IICD CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918211896 FADYMDWAVFYNIH-KRWDZBQOSA-N 429.536 4.134 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C2CC2)cc1 918456453 PZNUOMQBLXFZBV-UHFFFAOYSA-N 437.874 4.137 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 918574609 PUUDUYFRTDZBDS-OAHLLOKOSA-N 429.517 4.096 10 20 IICD CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](C)c1cc2ccccc2o1 919911738 SDYROBAZPPQTDR-NQIIRXRSSA-N 448.567 4.427 10 20 IICD CC(=O)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCC2)cc1 1787635580 PUEOQDJZHBOVRW-UHFFFAOYSA-N 429.520 4.431 10 20 IICD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c(C)n1 1845398812 GWICQXDNNSKGOL-UHFFFAOYSA-N 442.563 4.237 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(-n2cccc2)sc2c1CCSC2 475951944 FRPHGGGGKZWNAF-UHFFFAOYSA-N 425.579 4.433 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)CC2)cc1 725868513 WGNRMNWXGQDKIQ-CTNGQTDRSA-N 433.474 4.492 10 20 IICD CCOC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726608749 ALQQUBYHYGQRQB-UHFFFAOYSA-N 433.455 4.255 10 20 IICD CC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 726837517 NAQFPGPMHJZJQW-UHFFFAOYSA-N 425.312 4.042 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(OCCC(C)C)cc3)n2)c[nH]1 727247544 BVWYZWKSHOTBGU-UHFFFAOYSA-N 449.554 4.151 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)cc1 739070593 NAHQOFOZHCRIAH-UHFFFAOYSA-N 439.503 4.284 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccnc(N3CCCCC3)n2)cc1 739729694 YTSAQAUGVSQEEV-UHFFFAOYSA-N 445.567 4.389 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2ncoc2CC)sc(C)c1-c1ccccc1 740271579 JJESIUWXNPYCNZ-UHFFFAOYSA-N 442.493 4.246 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 742807283 ZFGRFXBGUPRFHA-CQSZACIVSA-N 430.411 4.076 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 743475279 ZZSWFTMMHLBOBJ-QUCCMNQESA-N 447.583 4.004 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743540426 RGZGHIYLRMEAIF-GDBMZVCRSA-N 437.462 4.465 10 20 IICD Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C 744473357 CTUFXFOANIQMOI-INIZCTEOSA-N 427.456 4.263 10 20 IICD COc1cc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C(N)=O)cc1OC 745787872 JDIDQMHHBGOKEX-UHFFFAOYSA-N 441.915 4.045 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCN2CCN(c3ccccc3)CC2)cc1 746118634 XFDVVMWMVDBEOK-UHFFFAOYSA-N 446.595 4.087 10 20 IICD C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 746318911 WBLBGXUWDHUNAN-GKVQRAMASA-N 441.547 4.021 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 748934857 XGQRSMJLKLBPAY-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1F 753738798 UUOPVMDSLQXRJD-UHFFFAOYSA-N 443.500 4.012 10 20 IICD Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(Br)cc1 754757272 WWEFELTYRXCJAD-OAHLLOKOSA-N 431.330 4.024 10 20 IICD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3C[C@@H](C)c4c(F)ccc(O)c43)cc2)C1 756433701 XMCHZECZJIWJRX-JXXFODFXSA-N 432.561 4.290 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 760775428 GBGXNYDYVYXCFA-AREMUKBSSA-N 443.547 4.175 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCOc1ccc2ccccc2c1 762330081 ZUMPOTMQVPKKMH-UHFFFAOYSA-N 433.552 4.287 10 20 IICD C[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 764860320 LPJFFMOOMCEURV-CQSZACIVSA-N 429.870 4.364 10 20 IICD C[C@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1Cl 765503128 OCJMFWIHDNGBEQ-VBKZILBWSA-N 444.881 4.459 10 20 IICD O=C(COc1ccc(Oc2ccccn2)cc1)NCc1cccc(Br)c1O 765733244 WBHDKJMGPYNEJQ-UHFFFAOYSA-N 429.270 4.037 10 20 IICD CCOC(=O)c1nnc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)s1 768726027 UHRQXGXRKRYIDO-UHFFFAOYSA-N 449.330 4.137 10 20 IICD COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cs2)cc1OC 773989895 RQFCFPKSLPOVDB-HNNXBMFYSA-N 425.554 4.313 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC(O)(C(F)F)CC2)c(C)n1-c1ccc(OC(F)F)cc1 778310860 JASWYKUYPRHQDJ-OAHLLOKOSA-N 442.453 4.359 10 20 IICD Cc1ccc(-c2csc(NC(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 781983609 RHBXMDGUPBLQEY-UHFFFAOYSA-N 436.581 4.026 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 783504352 JWQWEWBXKIYRIK-GGPKGHCWSA-N 435.584 4.319 10 20 IICD COc1ccc(OC(F)F)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 784108674 JVSCBMLDOVMEQE-UHFFFAOYSA-N 433.455 4.041 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)cc1C 788337761 LJWCJXKBKPVTGK-UHFFFAOYSA-N 438.524 4.096 10 20 IICD CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 788931478 GXLUMALYUZFWGE-UHFFFAOYSA-N 447.501 4.016 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)O[C@H]1CCc2cccnc21 789677873 RYAWUFPZRKTGLU-JORMNFRLSA-N 430.576 4.355 10 20 IICD CC(C)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 790216642 YUVSTFCZWDBJMV-UHFFFAOYSA-N 437.005 4.151 10 20 IICD CC(C)Oc1cc(F)ccc1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 790519923 QHRGUSZFFAYVEC-IAGOWNOFSA-N 448.510 4.061 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c(O)c1 797390716 OECYDWYUGLIFFY-UHFFFAOYSA-N 428.554 4.222 10 20 IICD CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1 808529475 JBPYTXACMKIBQU-UHFFFAOYSA-N 436.580 4.103 10 20 IICD Cc1cc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C2CC2)ccc1F 808840723 QJMNHIAYVBESRG-HSZRJFAPSA-N 425.548 4.205 10 20 IICD CN1CCCc2cc(CNCc3c(Br)cncc3Br)ccc21 811475880 CBFMKIJAFVMKAK-UHFFFAOYSA-N 425.168 4.279 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(N2CCCNC2=O)cc1 813237558 JUVIRVGWAKSMIK-SFHVURJKSA-N 435.572 4.108 10 20 IICD COCCOc1ccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1 915708744 JFWCPLXORQGIFE-UHFFFAOYSA-N 427.932 4.027 10 20 IICD O=C(CSc1ccc2c3c(cccc13)CC2)NCc1ccc(N2CCOCC2)c(F)c1 917707682 VSNJQMWQQSBXOD-UHFFFAOYSA-N 436.552 4.323 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1NC(=O)c1ccccc1 917708577 KBNRQPGNMGGIDZ-UHFFFAOYSA-N 447.510 4.153 10 20 IICD COc1ccc2nc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)sc2c1 918024266 GULAJPREGPWPCN-OKILXGFUSA-N 444.532 4.379 10 20 IICD C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nc(C2CC2)no1 919064349 RWXHBSXHLOCLPR-ZTMOJVSCSA-N 449.579 4.294 10 20 IICD CN(C)C(=O)C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1 920049763 WCWOKBFKIVOVIJ-DEOSSOPVSA-N 448.567 4.277 10 20 IICD COC(=O)CC1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 920823443 LIGYGOSWCGCTMG-UHFFFAOYSA-N 433.346 4.272 10 20 IICD COC(=O)C[C@@](C)(NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)c1ccccn1 1116686084 LJAMYQSUNGYBDL-HSZRJFAPSA-N 425.916 4.351 10 20 IICD CCOc1ccc(N2CCN(C(=O)C3(CC)CCN(C(=O)c4ccccc4)CC3)CC2)cc1 1320076894 PVKVLEFBBXMMFN-UHFFFAOYSA-N 449.595 4.067 10 20 IICD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1335410284 RMEGJTHEGLHOBG-LJQANCHMSA-N 425.916 4.268 10 20 IICD CC(C)=CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753938 HLLIHUUJZQWQKS-MHZLTWQESA-N 449.595 4.284 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccon4)C3)CC2)cc1 1808730396 XCUQGKBWBORUCX-UHFFFAOYSA-N 446.551 4.241 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)C2CCCC2)CC1 1826255576 FQUVTWMFKDGVDT-LJQANCHMSA-N 434.964 4.175 10 20 IICD CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832519564 KLQQBMATZAMXNI-SSWSSLRGSA-N 434.964 4.341 10 20 IICD COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)NC2=S)c1 112845934 KRDWTKYLEXAWQK-NHDPSOOVSA-N 448.504 4.273 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(OC[C@H]2CCCO2)c1 726565293 AAXFNZPKWQLBMN-JOCHJYFZSA-N 446.494 4.245 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)cc4c3O[C@H](C)C4)SC2=S)cc1 727860957 LBNYJSUDRMAOGZ-GNUZOCDUSA-N 441.574 4.471 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)ccc21 728640250 WNOCUMICYYUFBE-SFHVURJKSA-N 437.540 4.155 10 20 IICD CCCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 729594728 VARRLBHRLZKNIG-OAQYLSRUSA-N 430.593 4.218 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1 729862531 BRPZGVSWWABHDP-JPYJTQIMSA-N 432.520 4.448 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc(-n4cccn4)c3)c2C)cc1 740339384 IZOJITCKYVCADI-UHFFFAOYSA-N 444.491 4.113 10 20 IICD COc1cc(N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 741798942 OCAPJMNFUKPHAV-GFCCVEGCSA-N 427.328 4.333 10 20 IICD CN(c1ccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1)C1CCCCC1 742417405 WXQXXMAJPPPXDH-UHFFFAOYSA-N 446.595 4.489 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@H]1c1ccccc1 745903667 IPAQRFAFEQZOEP-NQIIRXRSSA-N 431.483 4.040 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 747855850 BPAYCSPWFUKKJK-UHFFFAOYSA-N 438.914 4.060 10 20 IICD NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 749243195 HHDNSXUNFSVKOS-UHFFFAOYSA-N 430.508 4.500 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC1CCCCCC1 751932658 WMZDDQMFPDXHLA-NRFANRHFSA-N 429.586 4.337 10 20 IICD COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(Br)cc34)CC2)cc1F 753738367 PKSHGVAYZZSNOV-UHFFFAOYSA-N 432.293 4.041 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN[C@H](C)c3ccccc3Cl)cc2F)C[C@H](C)O1 753773285 XMTSXAQTUZCMDB-YESZJQIVSA-N 433.955 4.060 10 20 IICD COc1ccc(CCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OC)c1 753998958 CQKAVBSUPRJBDR-UHFFFAOYSA-N 448.510 4.413 10 20 IICD CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C1/SC(N2CCOCC2)=NC1=O 754684176 DYYGVSPSOUMQJF-SFQUDFHCSA-N 430.961 4.011 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756535747 OXOVEQFIIIKNPK-MNOVXSKESA-N 447.782 4.128 10 20 IICD COc1ccc(N2CCCN(c3ncnc4cc(F)c(Br)cc34)CC2)cc1 762790801 HWODALCDAAUZRS-UHFFFAOYSA-N 431.309 4.257 10 20 IICD CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)c1ccc(Br)cc1 762791340 QKQPXSBEJUOFSQ-FQEVSTJZSA-N 437.353 4.027 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)c(I)c1 764321867 DYICVFRRSWPGLV-UHFFFAOYSA-N 425.266 4.058 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 764895810 WBLYPOHPBHREGJ-HXUWFJFHSA-N 445.510 4.007 10 20 IICD C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C)c1ccc(N2CCOCC2)cc1 765331451 FZABQQYGSQTEFC-RBUKOAKNSA-N 429.992 4.264 10 20 IICD O=C(Cc1ccc(Br)c(Cl)c1)NCc1cccc(Br)c1O 765758424 WDMGKZKGVKXQSV-UHFFFAOYSA-N 433.527 4.430 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1c([N+](=O)[O-])cnn1C 766806890 QZEQUDJBWNZVEN-MRXNPFEDSA-N 447.417 4.254 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cccc(OCc4cccnc4)c3)c2)CC1 767886670 MRLDRNCKLTWEBW-UHFFFAOYSA-N 430.552 4.443 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768914564 FKNBPOVHJQLBHS-FQEVSTJZSA-N 438.959 4.243 10 20 IICD Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@@H]3COCC[C@H]32)cc1 769347781 ZMCMSFMPUBAFLU-TZIWHRDSSA-N 442.606 4.072 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 771822719 UAXYUKISVVZSIX-UHFFFAOYSA-N 429.524 4.069 10 20 IICD Cc1ccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1S(N)(=O)=O 772632102 WJCHHPQRZKFNCA-UHFFFAOYSA-N 437.525 4.376 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)CCN(C)C3=O)c(C)n1-c1ccc(F)c(Cl)c1 773927326 XEDBIZSVWZIZTN-UHFFFAOYSA-N 431.939 4.014 10 20 IICD COc1ccc(N2CCN(CCCNCc3cc(-c4ccncc4)ccc3OC)CC2)cc1 775300734 OMVAKMCIQZXUIB-UHFFFAOYSA-N 446.595 4.068 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3sccc3Cl)SC2=S)c1 778248454 QQHQKAMNXIHATO-NTEUORMPSA-N 445.012 4.058 10 20 IICD C[C@H]1COc2ccccc2CN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 782501215 QFRQUBKSLPCOOY-INIZCTEOSA-N 449.473 4.035 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 786527078 QJOLUVJYZBGZJY-INIZCTEOSA-N 427.497 4.338 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789881594 PTEGUAPSMHQWFA-UHFFFAOYSA-N 439.462 4.261 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1CCc1ccc(F)cc1 790590619 NFDSVKIWSULZFC-HKWRFOASSA-N 428.554 4.106 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cn1c(C)nc2cc(F)c(F)cc21 793657564 ONJZIULHUYAQEM-UHFFFAOYSA-N 438.272 4.140 10 20 IICD Clc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1I 800293892 ODNUCSLGEWRAEE-UHFFFAOYSA-N 442.728 4.071 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2Cl)C1 800719274 IWNZRAYBPHKJOI-IBGZPJMESA-N 444.023 4.245 10 20 IICD COc1cccc(CNc2cc(NCc3cccc(OC)c3O)c3ccncc3n2)c1O 804424094 FDMGRMTZOMLBMD-UHFFFAOYSA-N 432.480 4.282 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](c1ccccc1C)C1CC1 805874668 IIGHXOMKILEGIB-HXUWFJFHSA-N 445.357 4.079 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806291729 UVXHORJNWVAMCS-UHFFFAOYSA-N 432.329 4.172 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)NC)c2Br)cc1 806737089 VJKRRLFVRXLHQM-UHFFFAOYSA-N 447.377 4.319 10 20 IICD O=C(Nc1nc(Cc2ccccc2)cs1)C(=O)N(Cc1ccco1)Cc1ccccc1O 806844481 QBVNDLXHSOGBGO-UHFFFAOYSA-N 447.516 4.200 10 20 IICD O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 810445104 LNFWRAHTISWYBX-DHLKQENFSA-N 428.492 4.323 10 20 IICD O=C1/C(=C\c2ccc(F)c(Br)c2)NC(=S)N1Cc1ccccc1Cl 917616104 BCCMXRVIVKBAOT-OVCLIPMQSA-N 425.710 4.499 10 20 IICD CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1Cl 917697590 ANYYKEXMCZFTKX-UHFFFAOYSA-N 435.977 4.269 10 20 IICD CCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918118139 WIRIZCLQJLFAFN-LJQANCHMSA-N 448.567 4.039 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 918430321 WYIFTWJZKWXVCF-UHFFFAOYSA-N 427.854 4.460 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccc(Br)cc2)CCCC1 919860065 MSIZSYBDAYJTCI-UHFFFAOYSA-N 443.385 4.414 10 20 IICD CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 920869152 NOQJALUTGDXGKD-UUOWRZLLSA-N 439.556 4.052 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccccc1Br)c1ccc(N2CCOCC2)cc1 920921853 WHCXTDKACXIMAC-INIZCTEOSA-N 432.362 4.188 10 20 IICD C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 1317765036 PPRQRTJHNACIGK-SFHVURJKSA-N 446.478 4.474 10 20 IICD CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2F)cc1 1318237269 JQDQCUFNEVTDSW-UHFFFAOYSA-N 429.355 4.054 10 20 IICD CN(CCCC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1520703812 YSZGBGSTAMCVRT-MRXNPFEDSA-N 441.519 4.020 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@@H]2C2CC2)C3)cc1 1800512296 UAAIBQWWSUHARJ-AZCRNNOYSA-N 431.580 4.392 10 20 IICD CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824347414 XMUUZZQGPPDMDI-HNAYVOBHSA-N 436.980 4.421 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1OC(C)C 69436707 ULVYHKDPXDARDK-QFIPXVFZSA-N 426.557 4.370 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 108195365 NRDSQIBSYZPECU-UHFFFAOYSA-N 431.561 4.422 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 248102696 IAHBDVGZOWCZEY-UHFFFAOYSA-N 441.531 4.211 10 20 IICD CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486978524 UEANVNZFBPSRHN-UTKZUKDTSA-N 427.589 4.062 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)CC2)cc1 726562927 QGJNCRCTERYPIL-UHFFFAOYSA-N 444.535 4.050 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1C 727408573 CIORHXGLURQOBI-SFHVURJKSA-N 439.581 4.144 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(F)ccc3Oc3ccccc3)ccc21 727948028 RIKVSHPBHQSWQK-UHFFFAOYSA-N 433.483 4.255 10 20 IICD O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)c1cc(O)cs1 732257032 BVJHJDLJUSRRNJ-MLPAPPSSSA-N 443.333 4.227 10 20 IICD Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CCC2 732452014 XRHLSJUPUCHRKA-VTJXTGGHSA-N 446.592 4.423 10 20 IICD CCOCCCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@H](C)C1 734666011 SHNCRJOFDFONCB-PXDATVDWSA-N 444.664 4.392 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 734702371 ZJNSYWGARPPBSZ-UUOWRZLLSA-N 437.584 4.411 10 20 IICD CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 735189327 YOWVERJLFWJFRX-HXUWFJFHSA-N 426.580 4.478 10 20 IICD O=C1/C(=C\c2nccc3ccccc23)SC(=S)N1CCc1ccc2c(c1)OCCO2 740942653 KOQOUOPTPCSVMM-KGENOOAVSA-N 434.542 4.450 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1cccs1)N(C)C 742714415 JYZCZBFAEMBYEZ-HNNXBMFYSA-N 426.380 4.051 10 20 IICD COc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1C 742755119 WADMVWUCVGOFAL-FQEVSTJZSA-N 427.545 4.065 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCO[C@@H](c2ccccc2)C1 745903670 IPPXEBVHGGBEEQ-DENIHFKCSA-N 445.510 4.430 10 20 IICD COc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 745906117 WPHWGGYYQBRIOK-QGZVFWFLSA-N 449.498 4.116 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1c1ccccc1 746416130 UEGWKELASBCHEC-IRLDBZIGSA-N 425.548 4.388 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4ccc(F)c(F)c4)no3)cs2)cc1 751931857 UIUPBTUPXAJIIX-UHFFFAOYSA-N 428.420 4.001 10 20 IICD CNC(=O)[C@@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CCC2 752426373 JLXAEFXXQSECHS-FDCFBWIESA-N 442.563 4.042 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1F 753879257 KQYZNSQAXRWHLS-UHFFFAOYSA-N 441.482 4.130 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(Cl)c1O 756710783 DSSVBLWLBMTMLL-BMIGLBTASA-N 427.701 4.403 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cncc(-c4ccc(Cl)cc4)c3)cc2)C1 757621293 CFXCNWQPMRVVMS-LJQANCHMSA-N 448.954 4.034 10 20 IICD CN(CCCN1C(=O)/C(=C\c2ccc(N3CCCC3)nc2)SC1=S)c1ccccc1 758414485 AQWOQVSQMOJYBU-CAPFRKAQSA-N 438.622 4.410 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)cc(OC)c1OC 759880233 ZYLGYPMSDRBJHP-UHFFFAOYSA-N 439.581 4.467 10 20 IICD CC[C@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(Cl)cc1 760094481 DDDBALIDYXZUJN-IBGZPJMESA-N 447.963 4.349 10 20 IICD Cc1oc2c(CN3CCN(c4ncccc4F)CC3)c(O)ccc2c(=O)c1-c1ccccc1 761297682 GMMNEOGOPRRWQZ-UHFFFAOYSA-N 445.494 4.330 10 20 IICD CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 767383762 SSLSMYOGEKQHTR-UHFFFAOYSA-N 436.600 4.341 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)c3ccc(Br)cc3)cc2)CC1 768068551 NHXLPQWAUKNKSI-NRFANRHFSA-N 446.389 4.218 10 20 IICD CCOc1ccc(N(C)CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 772778294 RPFSYXUTKPZLPU-UHFFFAOYSA-N 440.931 4.416 10 20 IICD CCN(CCC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1)CC(C)C 774197602 ZAGXVVGHKZRJTQ-QFIPXVFZSA-N 444.664 4.374 10 20 IICD Cc1cc(C(=O)OCCc2c[nH]ccc2=NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 775043349 WOPCOBTZPWQYOD-UHFFFAOYSA-N 436.512 4.053 10 20 IICD CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)c(Cl)c1O 775489946 ZEQPMJFIWKUMMT-LJQANCHMSA-N 436.383 4.328 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc21 775600759 MWOZUZFOEPSIIB-GOSISDBHSA-N 435.572 4.458 10 20 IICD Cc1cc(Br)cc([C@@H](C)NC[C@H](c2cccs2)N2CCOCC2)c1O 779005700 JYRZZYWWXMIMSZ-RHSMWYFYSA-N 425.392 4.249 10 20 IICD CC(C)(C)OC(=O)NC1CCC(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 779062595 YBRTWXAOWDZQBO-MHJFOBGBSA-N 438.012 4.436 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 780328610 GJTWDJQEUHMLBP-UHFFFAOYSA-N 433.474 4.073 10 20 IICD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 789429316 VJQMGFGBFOLFCA-IYBDPMFKSA-N 430.480 4.286 10 20 IICD C[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 790912378 CXULVMDQZCIUKM-WTGUMLROSA-N 438.616 4.145 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1CCC(F)(F)C1 797558245 NTJAOOFKCRKUEV-ZMTLZGASSA-N 430.567 4.281 10 20 IICD CC(C)Oc1ccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1 806175784 FMPZOUCFTJCAJR-CLOONOSVSA-N 429.580 4.403 10 20 IICD C[C@@H](NC(=O)NCc1ccncc1OCCC(C)(C)C)c1ccc(N2CCOCC2)cc1 806542529 UVQCNBCWAZYUQV-LJQANCHMSA-N 440.588 4.294 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 807670528 GEWBYQOFZYUFGI-QGZVFWFLSA-N 430.552 4.035 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1c1ccncc1 814284541 SGNMPWLAKPSIMI-HXUWFJFHSA-N 448.489 4.230 10 20 IICD CN(C)c1ccc(CN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)C2CC2)cc1 914438476 AJKMQGGNGLQCRZ-UHFFFAOYSA-N 434.565 4.195 10 20 IICD Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1F 915756815 GBOTTXMQKGSDTL-UHFFFAOYSA-N 447.470 4.034 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 916432777 OJTIIVVVIYTTQI-UHFFFAOYSA-N 429.568 4.052 10 20 IICD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 917846098 JECWEGHAFYBFTM-UHFFFAOYSA-N 443.594 4.215 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCCCCC4)cc3)cc2)C1 918117896 SCAPGYZZTICUTN-OAQYLSRUSA-N 449.599 4.090 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 918323366 FFYMOPZWKJHHOM-UHFFFAOYSA-N 439.475 4.112 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2cc(Br)ccc2o1 919968786 KKLXAKAWVYAVLN-UHFFFAOYSA-N 443.341 4.334 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1=O 920880592 FFTPWLHGJFZLKS-ONTIZHBOSA-N 449.595 4.267 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920922625 HJQZZIZIGKFBMJ-HXUWFJFHSA-N 443.547 4.315 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-c4cccs4)s3)CC2)cc(OC)c1OC 1323860353 UDDKVLXSPLHOIX-UHFFFAOYSA-N 444.578 4.465 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc(Cl)s3)CCC2)cc1)c1cc(O)nc(O)c1 1788424169 CCUOJZJPVUMKNN-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c12 302967492 QECHWMWVSNVITC-FQEVSTJZSA-N 434.540 4.296 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F 303296896 CDCRRQGLYSICCG-UHFFFAOYSA-N 448.533 4.414 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc(Cl)ccc2C)nc1-c1ccccc1 727249676 GCAWHDZWTCDKCH-UHFFFAOYSA-N 436.942 4.288 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1 728984753 TYZAXYVWVAIFDS-KSZLIROESA-N 440.540 4.060 10 20 IICD Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1 731859165 UBSJDIQJGVURAI-AEFFLSMTSA-N 448.357 4.438 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2F)C[C@@H](C)O1 734066487 UNZZLVZDOWMCNG-KGVIQGDOSA-N 425.548 4.138 10 20 IICD Cc1ccc(NCCCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c([N+](=O)[O-])c1 740489250 GTEZGACMYPARJG-UHFFFAOYSA-N 425.533 4.145 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1C 746361934 NVHLAUGYUHIHBU-CPNJWEJPSA-N 441.574 4.299 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1 748994332 IUVVLSDKJCLAMA-UHFFFAOYSA-N 434.496 4.285 10 20 IICD COc1ccc(S[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 750875305 SPZBOFHYHPDEHE-PGRDOPGGSA-N 428.598 4.450 10 20 IICD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 751076381 GAVPMCQXBNXVKX-CTNGQTDRSA-N 425.573 4.159 10 20 IICD Cc1cc(Br)c(S(=O)(=O)N(C)Cc2ccccc2O)c(Br)c1 751240555 QFPKFMVFWKWNGH-UHFFFAOYSA-N 449.164 4.046 10 20 IICD COc1ccc(C(=O)CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F 751366312 XHZYWSLSXHWWGV-OAQYLSRUSA-N 442.531 4.071 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 755032071 WFPYCQGHXPCHBR-UHFFFAOYSA-N 449.305 4.156 10 20 IICD C[C@@H](NCCN(C)CC(F)(F)F)c1cc(Br)cc(Br)c1O 756569725 ROBHPQRPBYHODO-MRVPVSSYSA-N 434.094 4.062 10 20 IICD C[C@H]1C[C@@H](NCc2ccc(Br)cc2N2CCOCC2)c2c(O)ccc(F)c21 756759542 MLOSNHJALVAJKJ-SUMWQHHRSA-N 435.337 4.469 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 758961150 CEOLKOQTIOGKNH-UHFFFAOYSA-N 449.595 4.079 10 20 IICD O=C(CCn1ccc2cc(Cl)ccc21)NCc1ccc(N2CCC(O)CC2)c(F)c1 759223481 VYBQMCLTNSAFLN-UHFFFAOYSA-N 429.923 4.101 10 20 IICD CCOC(=O)c1c(NC(=O)Cn2cnc(C(C)C)cc2=O)sc(C)c1-c1ccccc1 762199127 OSEVRIUALBADOH-UHFFFAOYSA-N 439.537 4.219 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccccc1-c1ccccc1 765926569 NCJLPOTXFMAGKO-UHFFFAOYSA-N 425.282 4.077 10 20 IICD CC[C@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765978862 QLGADUZFZCVMGJ-LJQANCHMSA-N 441.424 4.339 10 20 IICD O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1nc(-c2ccoc2)no1 771195176 QKWNLGVDFPSKOH-NTUHNPAUSA-N 448.323 4.494 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3c(OC)cccc3OC)sc2C)cc1 775139498 GNKPVAGAVXMRAK-UHFFFAOYSA-N 434.539 4.335 10 20 IICD CC(C)(O)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 776050753 WFSMCXZVOABZJC-LJQANCHMSA-N 447.526 4.240 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)C2CC2)cc1 776246388 QLESWJHLKAOPNA-UHFFFAOYSA-N 436.478 4.005 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4[nH]c5ccc(C)cc5c4C3)CC2)cc1 779341035 NFWHVYDRNUWOCK-LJQANCHMSA-N 432.568 4.310 10 20 IICD CC(C)N(Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)C[C@H]1CCCCO1 781897125 CLGVVXKMAZBHKG-JOCHJYFZSA-N 441.572 4.242 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 783316586 PIAFDAJKQHOXIS-UHFFFAOYSA-N 432.524 4.316 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 785295464 VOXAKMSLTUWHHZ-CQSZACIVSA-N 440.883 4.229 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(O)c1 785697375 FPUWBCZXFLMGAP-WJDWOHSUSA-N 434.564 4.082 10 20 IICD Cc1ccc(Br)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 786849819 KSSXDKWJSNKVBN-GOSISDBHSA-N 432.362 4.040 10 20 IICD Cc1oc2c(CN3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1 790391569 NLBRZUZCZJTFOX-KLHYBKMASA-N 435.520 4.242 10 20 IICD COc1c(Br)cc(Cl)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 797624316 MJYZWFZBAMFGDX-SECBINFHSA-N 429.698 4.275 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 797625482 SQFNJWOMVPJHTB-CYBMUJFWSA-N 440.887 4.151 10 20 IICD CCOC(=O)Oc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 799953154 YDPYOOJJXJMETN-INIZCTEOSA-N 434.439 4.222 10 20 IICD O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)NCc1cc(Cl)cc(Cl)c1O 806647644 XPDUJRXKEAOVCB-UHFFFAOYSA-N 445.306 4.346 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 807077897 GCAGDDPKIACQAM-UHFFFAOYSA-N 427.526 4.493 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 808804328 BDZBVSYMQXUCCK-KRWDZBQOSA-N 441.557 4.428 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(OC)c1OCC(F)F 809147894 WWYSXHSZCCRCAO-OVCLIPMQSA-N 438.477 4.149 10 20 IICD COc1cc(N2CCN(C(=O)CCCc3ccccc3Cl)CC2)cc(OC)c1OC 810675947 NVFBRZKZMFUYPM-UHFFFAOYSA-N 432.948 4.037 10 20 IICD Cc1nc(C(C)C)oc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 815710859 XMKIUPHDIJNKDZ-GOSISDBHSA-N 430.549 4.168 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 880197888 IWDRIHJACZCZTQ-OAQYLSRUSA-N 425.598 4.392 10 20 IICD O=C(NCc1cccc(OCC(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916389438 XCUPGRHAJHSPMR-LJQANCHMSA-N 438.446 4.224 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc4ccccc4n3)cc2F)C[C@@H](C)O1 917166675 YWZRQPYJYABIFT-CALCHBBNSA-N 439.556 4.396 10 20 IICD CCOC(=O)c1sc(NC(=O)CSc2nccs2)c(C(=O)OC(C)(C)C)c1C 917641474 VSSQLNKRGASGMO-UHFFFAOYSA-N 442.584 4.376 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 918082228 NHPJANGZHGZEOH-SFHVURJKSA-N 443.979 4.142 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 918218486 ZUFQCKOMZAIMJN-HXUWFJFHSA-N 440.544 4.319 10 20 IICD Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc(N5CCOCC5)c4)cc3)nc12 918371010 AOXJCZBLTHLHIX-UHFFFAOYSA-N 442.519 4.311 10 20 IICD COc1cc(OC)c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)[nH]c2c1OC 918657460 CZGLNCCZQVMQSI-UHFFFAOYSA-N 425.529 4.311 10 20 IICD CC(=O)N[C@@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C)c1cccs1 918890256 LQAOILRDCWYVSK-FQEVSTJZSA-N 438.549 4.457 10 20 IICD O=C(COc1ccc(Cl)c2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1 919969039 VNQDSHOFQYRHFV-UHFFFAOYSA-N 438.955 4.397 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 920873864 VIAXQGISCUICBI-HXUWFJFHSA-N 434.496 4.496 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1 1257449366 FBUKPMVFHQOWJU-UHFFFAOYSA-N 429.520 4.300 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c1 1318479181 PUUZVYGQSLLHBM-UHFFFAOYSA-N 441.881 4.278 10 20 IICD O=C(Nc1cc(N2CCOC2=O)ccc1F)N(Cc1ccco1)Cc1ccccc1O 1321932612 XUTAXLSJCZZBBB-UHFFFAOYSA-N 425.416 4.315 10 20 IICD CN(C)c1ccc(CNCCNC(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 1339600764 XDEPXNMZANUQJC-UHFFFAOYSA-N 433.396 4.310 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc(C)cc4)n3C[C@H]3CCOC3)CC2)cc1 1345101015 RQYBFPFQRILYDS-OAQYLSRUSA-N 447.583 4.015 10 20 IICD CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792299969 RPGORBHWUNDNOV-JCSUNJAGSA-N 438.524 4.387 10 20 IICD Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)n1 1795035267 BNLJRTAHMQOMRK-VILGAWFOSA-N 442.563 4.363 10 20 IICD Cc1nc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cs1 21231824 RHAYLDQGRJUADC-UHFFFAOYSA-N 434.464 4.429 10 20 IICD O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 28977883 KTSRWIZODXLXNZ-AUWJEWJLSA-N 437.296 4.469 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1 110477337 ISUMOXVROZKRKB-UHFFFAOYSA-N 429.358 4.275 10 20 IICD CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 248108828 JLOAAKPCTMCGMW-AHWVRZQESA-N 447.579 4.224 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H]3CCN(Cc4ccccc4)C3)ccc21 464970244 BJGBYCFCRMTOHG-QHCPKHFHSA-N 433.596 4.499 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 475935508 CEIJVWJWDKUENO-UHFFFAOYSA-N 434.393 4.135 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)cc1 726562693 OHDWSGILDUQKMS-UHFFFAOYSA-N 433.556 4.107 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2)cc1 726698764 PHVSKADKQYRRNQ-UHFFFAOYSA-N 442.947 4.266 10 20 IICD Cc1ccc(-c2nc(CCNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)co2)cc1 726709482 WYZDBUAXJXWFSP-IBGZPJMESA-N 434.540 4.090 10 20 IICD CCn1cc(Br)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 726771304 KMCBDATVDIMQMB-LJQANCHMSA-N 434.378 4.158 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Oc2cccnc2)c1 729062120 NSVPOHHQPILESF-CYBMUJFWSA-N 441.871 4.057 10 20 IICD CCN1CCN(c2ccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2F)CC1 730108092 FZWMVIPOWXFNNH-UHFFFAOYSA-N 438.503 4.426 10 20 IICD COc1ccc(Br)cc1C(=O)CCC(=O)NCCCSc1nccs1 733972121 LNTOJKVPYLOEOM-UHFFFAOYSA-N 443.388 4.176 10 20 IICD COCCCn1ccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 734830288 QQRCTHFRXBJAHP-UHFFFAOYSA-N 431.334 4.342 10 20 IICD C[C@H]1SCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)[C@@H]1C 735643436 BCPLJERDMGJJFY-HUUCEWRRSA-N 444.578 4.112 10 20 IICD C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 737037706 QRZQPEZTTZMYIL-QFBILLFUSA-N 429.511 4.014 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1F 737190898 OUMBMZVSBZUIII-UHFFFAOYSA-N 440.519 4.366 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc(C(F)(F)F)cs1 745649517 VUOFCMPNNGCYNH-CQSZACIVSA-N 446.470 4.088 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(-n3ncc4c(O)ncnc43)cc2)c1C 747210214 MUZRSNLKPIELGO-UHFFFAOYSA-N 438.491 4.489 10 20 IICD COc1ccc(Br)c(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1 747698512 KYBYAUUXVOYBNZ-LFIBNONCSA-N 435.368 4.297 10 20 IICD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 750262543 ATIDQZOTASIBBT-WMUWJOOSSA-N 426.542 4.237 10 20 IICD O=C(c1cc(F)c(F)cc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 750537125 CKROVNUCAFUMMV-CYBMUJFWSA-N 426.257 4.254 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC1CC1)c1ccccc1)c2[N+](=O)[O-] 752479412 LISFAMWDCPSECQ-UHFFFAOYSA-N 426.428 4.427 10 20 IICD C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)cc(F)c1O 756456353 GRTWGVXKVOSQDV-AWEZNQCLSA-N 437.353 4.353 10 20 IICD CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 757621689 AIEFPOAOWAXXKV-FUHWJXTLSA-N 445.551 4.358 10 20 IICD Cc1ccc(Br)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 761879243 GDXYEVUKZKEGLJ-UHFFFAOYSA-N 444.373 4.345 10 20 IICD O=C(NCc1cccc(Br)c1O)c1c[nH]nc1-c1cccc(OC(F)F)c1 765752025 VRTICLHLLGVJRR-UHFFFAOYSA-N 438.228 4.076 10 20 IICD C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238070 OZWXUGVUNNPNNN-CABCVRRESA-N 438.906 4.312 10 20 IICD Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O 768180843 VTHAHZSQTXRCLL-UHFFFAOYSA-N 442.697 4.095 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1 769203453 PPGIJURVKMPMMN-XMMPIXPASA-N 435.524 4.056 10 20 IICD O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCc1c(O)ccc2c1CCCC2 769562560 FTYCWOPOFIBIPG-UHFFFAOYSA-N 440.594 4.334 10 20 IICD Cn1c(O)nc2ncc(-c3cccc(C(=O)NCc4ccc(N5CCCCC5)cc4)c3)cc21 771823954 MRJZPAHTOAAFCU-UHFFFAOYSA-N 441.535 4.261 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Sc2ccncc2)cc1 772473408 FHDBHCVLSFJEOJ-UHFFFAOYSA-N 432.549 4.088 10 20 IICD CCCN(Cc1ccc(N2CCN(C)CC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 775657940 DIZDICWMBQTSAG-UHFFFAOYSA-N 430.637 4.050 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCOc4cc(F)ccc43)cc2F)C[C@@H](C)O1 776896198 LSVDZQRMNQGHIR-WHSLLNHNSA-N 445.510 4.292 10 20 IICD CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(Br)cc(C)c1O 779038778 NCHMVPKWEZTCNQ-GOEBONIOSA-N 426.376 4.366 10 20 IICD CC(C)OCc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782429247 UWVVPXHVMOXMAW-UHFFFAOYSA-N 449.551 4.438 10 20 IICD C[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc(C(F)(F)F)c1O 788821713 YREHANIPELAEAW-DMZKTXOQSA-N 447.457 4.487 10 20 IICD COc1cccc([C@@H](CNC(=O)c2cccc(O)c2O)c2c[nH]c3ccccc23)c1OC 790470559 BDXBYASRNONXCN-LJQANCHMSA-N 432.476 4.158 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c(O)c1 797390633 KRMQJJGOECXQBN-UHFFFAOYSA-N 426.856 4.101 10 20 IICD CSc1c(F)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 797833230 ZYHULAKVJXEUDT-UHFFFAOYSA-N 428.451 4.333 10 20 IICD Cc1cc(NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)c(C)c(C)c1O 799924282 BEJUCIRSMGBZDD-UHFFFAOYSA-N 444.738 4.182 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H](NC(N)=O)c3cccs3)cc2Cl)C1 800344074 MMMYZVHNNNFNSK-RHSMWYFYSA-N 434.993 4.054 10 20 IICD CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 805022992 KVYDFJNWFDMOCL-SFHVURJKSA-N 442.629 4.086 10 20 IICD CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)s1 808526959 VUTMBQYIQUMJEI-UHFFFAOYSA-N 436.584 4.323 10 20 IICD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 810393580 QAMRCBQPQKEFQF-MRXNPFEDSA-N 432.480 4.472 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)ccc1O 811703915 LEZCGFWWMBICDT-UHFFFAOYSA-N 434.297 4.123 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC1 812392753 VOLJCTLYMUOCRV-CYBMUJFWSA-N 449.374 4.148 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cccc(C(F)(F)F)c1O 815596424 TXDQRIFYHFXFHS-VXGBXAGGSA-N 434.252 4.264 10 20 IICD CCN(CCc1cccs1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914516337 KHOZDJZREVCWAB-UHFFFAOYSA-N 434.473 4.137 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cc(OC)c(OC)cc3F)sc2C)cc1 914577363 WXCUNURAWYXRJG-UHFFFAOYSA-N 438.502 4.084 10 20 IICD CCN1CCN(c2ccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)CC1 915324565 XPJDQGQIUXOULO-UHFFFAOYSA-N 435.616 4.483 10 20 IICD Cc1cc(C)n(-c2ccc(CNC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cn2)n1 916419643 ORFKHXVFKMTARV-UHFFFAOYSA-N 432.572 4.216 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC3(c4ccccc4)CCCCC3)cc2)C1 918116982 DHDZGHYXYRGFMJ-QFIPXVFZSA-N 448.611 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccc(Cl)s3)cc2F)C[C@H](C)O1 918221634 QKODAKCGJMYWOQ-KBPBESRZSA-N 425.957 4.496 10 20 IICD Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 919920467 WTOTVAVDMBTYMJ-OAQYLSRUSA-N 433.474 4.337 10 20 IICD C[C@H](N[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920867617 VXNAFJZDZLLJIR-LVXARBLLSA-N 429.564 4.232 10 20 IICD CN1CCN(c2ccc(CNCC3(c4ccc(Cl)cc4)CCOCC3)cc2F)CC1 1322600507 MAYVJHGJPCCNEL-UHFFFAOYSA-N 431.983 4.069 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)c1 1332029119 XUQNGPXAEPOTDK-UHFFFAOYSA-N 449.935 4.188 10 20 IICD Cc1ccc(-c2csc3ncn(CC(=O)NCc4ccc(N(C)C)cc4)c(=O)c23)cc1C 27506788 DQFKLIQQCJQMGC-UHFFFAOYSA-N 446.576 4.124 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2F)C[C@@H](C)O1 227087190 QSPBGDBMYIANEL-HHJKRLRDSA-N 448.542 4.423 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](C)c3ccc([S@](C)=O)cc3)ccc21 473551094 PXVJYFMURHUSSQ-JJCDCTGGSA-N 426.582 4.475 10 20 IICD Cc1cc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1 725718775 LBPHQBKNTRLLAR-UHFFFAOYSA-N 438.572 4.493 10 20 IICD O=C1/C(=C/c2ccccc2OCc2ccccn2)SC(=S)N1CCc1ccccn1 726197514 SZODUMKQSCOBOV-QNGOZBTKSA-N 433.558 4.500 10 20 IICD O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)c(F)c2)N1c1ccc2c(c1)OCO2 727462881 CUVRZYBNQGFCAP-DEOSSOPVSA-N 447.466 4.162 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 730593971 XOSWQQHXGZWCJF-XDHOZWIPSA-N 428.535 4.076 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C(F)(F)F)c1 731131846 NSEHLXZIXNJVOW-UHFFFAOYSA-N 449.473 4.205 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1-c1ccc2ncccc2c1 731340465 FWQOWAZAOCZGHF-UHFFFAOYSA-N 440.551 4.386 10 20 IICD Cc1cc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)n(-c2ccc(F)cc2)n1 731844701 UMWJMLPDSQREQM-UHFFFAOYSA-N 434.471 4.259 10 20 IICD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 732232743 IEDXYOBZVRJGDI-AWEZNQCLSA-N 439.299 4.393 10 20 IICD CCCCn1c([C@H](CC)N(C)C)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S 732417068 MJUVGDABWNCMHB-NRFANRHFSA-N 446.665 4.015 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncoc1-c1ccccc1 732538735 JFJPWIXGRHHPSH-UHFFFAOYSA-N 431.414 4.127 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3Br)CC2)cc1 732737264 GFDGNRYYMNBSFT-HNNXBMFYSA-N 433.346 4.010 10 20 IICD COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 732934613 QAMBKRKNEXSWQW-ROUUACIJSA-N 428.548 4.333 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC(F)F 734223692 PTEKGELUQHHLOA-UHFFFAOYSA-N 431.483 4.088 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 734406082 OEXVKXVRGHUWKX-PXLXIMEGSA-N 444.564 4.091 10 20 IICD Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 735173742 BWUOVBJMTMSBAT-UHFFFAOYSA-N 428.510 4.073 10 20 IICD CC(=O)N[C@@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)cc1 735926769 DOGFXONZHKKWLT-NRFANRHFSA-N 426.900 4.435 10 20 IICD C[C@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 741544413 LTQDMTMNZVYIBH-IBGZPJMESA-N 437.584 4.132 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NS(=O)(=O)Cc1ccon1 742280224 PGOMOAGDTBXDCI-GOSISDBHSA-N 439.459 4.290 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccccc2F)NC(=O)OC(C)(C)C)cc1 742753046 ILHHMXHKUBLHJD-MQGIHEMASA-N 427.520 4.287 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CSc2ccccc2)NC(=O)OC(C)(C)C)cc1 742754515 PEIUSFRFULGHOK-FQEVSTJZSA-N 429.586 4.227 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1Cl 743421699 PXBKCJQHUGUSJP-UHFFFAOYSA-N 429.948 4.372 10 20 IICD C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 745837267 GRBGUPFHDYURHZ-QHCPKHFHSA-N 449.643 4.029 10 20 IICD CN(C)c1ccc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1F 746798433 GPSKAIZNEQTHIZ-UHFFFAOYSA-N 433.936 4.440 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)C[C@@H](C)O1 747544382 NKYYHTRTHNZZIB-PWHSHALESA-N 439.556 4.219 10 20 IICD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 756968827 IVSDHMVSHCLFDM-FQEVSTJZSA-N 439.600 4.380 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(OC(C)(C)C)n3)cc2F)C[C@H](C)O1 758423869 USQCQEQVJKTWGF-ROUUACIJSA-N 443.563 4.261 10 20 IICD CCc1ccc([C@@H](C)CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 759242329 XEHFXAUSAQVCMW-SFHVURJKSA-N 426.557 4.117 10 20 IICD COCCC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1 760804584 OZZSRNDGIIMJNW-UHFFFAOYSA-N 425.520 4.153 10 20 IICD C[C@H]1CCCN(Cc2ccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2)C1 761006096 RCIOHBICVOYZNP-KRWDZBQOSA-N 441.959 4.242 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](NC(=O)c1cccs1)C(C)C 761752305 HQSORPGXEKMUQO-KRWDZBQOSA-N 439.375 4.019 10 20 IICD O=C1/C(=C/c2cc(Br)cc3c2OCC3)SC(=S)N1CCc1ccccn1 764885638 LRJCVLBTXYPFSH-WJDWOHSUSA-N 447.379 4.223 10 20 IICD COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c1 765871064 CLVLHEPKVWERHR-LJQANCHMSA-N 425.573 4.447 10 20 IICD O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)cc1 765994576 PHZSESVDCGCHBA-FQEVSTJZSA-N 444.963 4.177 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)c1 767358537 BMFIRCZVVNIJAF-UUASQNMZSA-N 434.340 4.208 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cc1)C1CCCCC1 767937846 FERLDIANOHXBKX-LOSJGSFVSA-N 442.648 4.023 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1 769203812 ULTVQMAWPPUKRR-NTKDMRAZSA-N 436.508 4.474 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccccc1OCc1cccnc1 769379794 MPCQWUWRHGMIOR-UHFFFAOYSA-N 426.900 4.195 10 20 IICD C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOCC2)c(F)c1 772965801 RCFIFJIIFDVFJR-OAHLLOKOSA-N 430.911 4.259 10 20 IICD C[C@@H](NC(=O)C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1)c1ccc(N(C)C)cc1 775406189 VMNCTHLWZCRBEI-RTBURBONSA-N 436.600 4.044 10 20 IICD COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 776744014 PBONDGUMADSKCA-UHFFFAOYSA-N 440.502 4.256 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc(C(F)(F)F)nc2)cc1 778776277 PKWRDKRZRODQHF-UHFFFAOYSA-N 430.430 4.417 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1 784107215 QVUADORFZAJKCF-UHFFFAOYSA-N 427.455 4.176 10 20 IICD C[C@H](CONC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC(=O)OC(C)(C)C 785389376 KYPHXGFXMZKZOL-OAHLLOKOSA-N 441.488 4.002 10 20 IICD O=C(OCc1ccc2ncccc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 785410856 BMTNQSIFJKJXOM-UHFFFAOYSA-N 440.502 4.160 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2F)C[C@@H](C)O1 786710130 MQCUTDIPJINFPB-LBTNJELSSA-N 431.474 4.312 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2cccc(Br)c2)C1 786970371 ZGPMRQLJYXMGOO-LJQANCHMSA-N 443.389 4.127 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3ccccc3OC(F)F)cc2)CC1 787377529 ZUPVOMZYEOOAOU-KRWDZBQOSA-N 445.510 4.018 10 20 IICD CCN(CC)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 794096832 JPTDWXWKTIJSCC-SDXDJHTJSA-N 429.520 4.210 10 20 IICD CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 795548375 OIIFGPXJUWHWQU-UHFFFAOYSA-N 436.942 4.370 10 20 IICD CCN(C(=O)Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1)c1ccccc1 797616078 JKIOUWZFHXKSAN-SFHVURJKSA-N 447.535 4.446 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 798989389 NGWYVBUITXORFQ-QZTJIDSGSA-N 441.524 4.484 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@]2(CCCOC2)O1 799994833 GOSATDZYFJYOII-STSQHVNTSA-N 435.996 4.056 10 20 IICD O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 802839660 MFAHOXXFHAWYAZ-FGZHOGPDSA-N 444.522 4.057 10 20 IICD C[C@@]12CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C[C@@H]1C2(Cl)Cl 806685592 VLUAVAKSSUWLEZ-QFBILLFUSA-N 448.341 4.482 10 20 IICD CC[C@@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 806750790 YZLLILMQLDHQSO-QFIPXVFZSA-N 442.579 4.269 10 20 IICD CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 807837246 IQKSJVWELSIACF-UHFFFAOYSA-N 432.329 4.110 10 20 IICD CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1 811263769 SIMHPMVQHOFDSQ-HNNXBMFYSA-N 442.471 4.164 10 20 IICD CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOC(C)(C)C1 812024778 RYIFMEQUPFRDMQ-GOSISDBHSA-N 425.520 4.246 10 20 IICD CC[C@@H]1[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C 813043988 OXSYRXOQEZWPON-FUHWJXTLSA-N 435.528 4.370 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 813600467 QPIDWRSUVCPFNN-OAQYLSRUSA-N 431.989 4.253 10 20 IICD COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473057 SIQJUEPZSCTVRC-UWJYYQICSA-N 430.976 4.404 10 20 IICD CN(C)c1ccc(CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C2CC2)cc1 914479780 FBFUCUHDBFJYRA-UHFFFAOYSA-N 441.988 4.270 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 914754707 RRVFBLZBUCALTL-HXUWFJFHSA-N 434.367 4.323 10 20 IICD CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 915304667 ZXEZARFPOUKHMW-UHFFFAOYSA-N 437.525 4.473 10 20 IICD CCOC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)CC1 916557283 GCBPFTFECRMWQK-UHFFFAOYSA-N 439.556 4.163 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]1c1cccc(Br)c1 917070740 YBMMTHPKRBJVHH-NRFANRHFSA-N 430.390 4.311 10 20 IICD O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295192 OCEADJCUNCIWJB-NRFANRHFSA-N 448.494 4.345 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)CC4CCCCC4)n3)CC2)cc1 1321226220 DSOHNQUKZIZOSF-SFHVURJKSA-N 426.561 4.043 10 20 IICD Cc1nnnn1[C@@H](Cc1ccccc1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1325759674 FCFFZHQXOPAHRB-QFIPXVFZSA-N 425.496 4.271 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cnc4c(c3)c(C)nn4-c3ccccc3)CC2)cc1 1341406004 AZIDRKVULACPIV-UHFFFAOYSA-N 441.535 4.090 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1)c1ccncc1 1787313182 SJUXZIHGTKCVCN-UHFFFAOYSA-N 437.883 4.208 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)c1 18215499 KROBYEKIKNXXBH-UHFFFAOYSA-N 437.565 4.100 10 20 IICD COCCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 18258323 VWNIXCZPXZGQTP-RGEXLXHISA-N 447.507 4.477 10 20 IICD Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 108453988 AIKFMLRQZJNKFX-OALUTQOASA-N 426.532 4.335 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c1 728979339 UPFNFRVXSDJKKT-CYBMUJFWSA-N 427.419 4.161 10 20 IICD Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 730119765 PDGSCHHTHPOQKH-DZKIICNBSA-N 434.581 4.415 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 731284058 VEQYJBSRFIXEMY-QGZVFWFLSA-N 429.536 4.175 10 20 IICD CC(C)n1cc([C@H](C)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 732748527 MOQBYYDSZKBNCS-XGHPXPSOSA-N 448.639 4.384 10 20 IICD COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cc(OC)ccc2O)cc1 734017472 JTXUZYBINZOCIU-UHFFFAOYSA-N 443.503 4.251 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 735577220 KUAMDVIFJAGJNH-UHFFFAOYSA-N 444.601 4.028 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 742602362 PNUOEWRMYBQAHM-FGZHOGPDSA-N 445.604 4.050 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)cc1 742751425 UOIKJPMFBBOKHN-HXUWFJFHSA-N 431.964 4.331 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 743045536 OAAKRHSIRFPTKI-UHFFFAOYSA-N 427.960 4.309 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC 743871234 XYMMLZHJUHLGIA-GJZGRUSLSA-N 435.362 4.251 10 20 IICD CC[C@](C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1 744424224 IUVPRQBANBOWTH-DEOSSOPVSA-N 433.533 4.080 10 20 IICD CCOCCOCc1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C 746035055 PBBMURLJKHSFTD-UHFFFAOYSA-N 441.572 4.301 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746309870 JWOAPPHGPNGAKI-DHIUTWEWSA-N 443.588 4.177 10 20 IICD CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 746776566 GUATUJQNKMUKPU-NHCUHLMSSA-N 431.964 4.039 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1 748673889 MXFPFXBEGRIHQY-UHFFFAOYSA-N 441.578 4.472 10 20 IICD CCc1cc(CN2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c(O)c(C(C)(C)C)c1 749979572 LMEZAPAFNDXCDA-QGZVFWFLSA-N 430.593 4.050 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)oc1C 751127867 VXFGQHGYQQEIEO-UHFFFAOYSA-N 446.428 4.318 10 20 IICD COc1ccc(N2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)cc1F 753740859 WWLPBKKZRBUOBX-UHFFFAOYSA-N 429.879 4.414 10 20 IICD C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccc(N2CCOCC2)cc1 753970085 ITFFSNPUCDZFPZ-OAHLLOKOSA-N 442.357 4.187 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2cc3c(cc2O)CCCC3)N2CCOCC2)cc1OC 756360941 FDUNIDQQRCNUFO-MBSDFSHPSA-N 440.584 4.012 10 20 IICD CC(C)(c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1)C(F)(F)F 760234947 BHSBFBQBEYRMQI-UHFFFAOYSA-N 434.458 4.366 10 20 IICD C[S@@](=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 768106202 OLGJTEOQZZUHQH-ROTAYESASA-N 434.521 4.277 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1-c1ccc(F)cc1 769965356 CALIJBNTFOAPSS-MRXNPFEDSA-N 431.414 4.481 10 20 IICD CN(c1ccc(CNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc1)C1CCCCC1 772433244 DZJUIECRXMOWIG-UHFFFAOYSA-N 447.377 4.238 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccc(N(C)C)cc1 773859522 VMDKJZCURKNQMV-SFHVURJKSA-N 445.567 4.412 10 20 IICD COc1c(Br)cccc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 773910136 WGUKBQKIQALOJG-RAXLEYEMSA-N 444.372 4.304 10 20 IICD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)c1C 773988071 IWBOTPKYFBSONT-QGZVFWFLSA-N 448.567 4.152 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)n2)c(C)c1 776082359 FEMKYQYHTYAXJX-UHFFFAOYSA-N 433.946 4.232 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)cc2)CC1 776302079 GDCPJPSGPXTDMQ-UHFFFAOYSA-N 434.564 4.185 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1 778913464 CPAFHLPYKDIIEK-SNVBAGLBSA-N 435.249 4.448 10 20 IICD C[C@@H](NC(=O)NCCc1cn(C)c2cc(Cl)ccc12)c1ccc(N2CCOCC2)cc1 780339239 PSDAAUKXDQLJPB-QGZVFWFLSA-N 440.975 4.271 10 20 IICD C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(=O)c1ccc(O)c(O)c1 783176569 UZCSRNAOUAGKEH-GFCCVEGCSA-N 447.896 4.454 10 20 IICD COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(OC)c1OC 783481692 BUEROYDHSPVTIQ-MRXNPFEDSA-N 449.507 4.028 10 20 IICD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788930484 UDSNVIXKBUQDGH-OAHLLOKOSA-N 434.367 4.429 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)cc1 792802061 UTUVJIWQDOVSKX-UHFFFAOYSA-N 425.529 4.313 10 20 IICD CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c1 799187666 ZBYBNMUMHRIYAT-UHFFFAOYSA-N 428.539 4.151 10 20 IICD COC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1OC(C)C 799246964 GUTWQOFLSNTOCE-SFHVURJKSA-N 442.512 4.179 10 20 IICD COc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 799994998 WIADWDMROYKOMJ-OPAMFIHVSA-N 431.964 4.118 10 20 IICD C[C@]12CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C[C@H]1C2(Cl)Cl 806685582 VLUAVAKSSUWLEZ-APWZRJJASA-N 448.341 4.482 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)cc1 806715670 KYGSPGWROSIIRX-UHFFFAOYSA-N 432.515 4.312 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1 808527648 JZKBSDJQDGVKRO-UHFFFAOYSA-N 447.607 4.425 10 20 IICD COc1ccc(N2CCCN(c3nnc(C(C)(C)C)n3Cc3cccs3)CC2)cc1 812354280 OZKXSHGTDBUWTI-UHFFFAOYSA-N 425.602 4.411 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)[C@H]1OCCc2sccc21 814679966 UMWNCMTVMMJRRN-XTQVGHSUSA-N 428.598 4.272 10 20 IICD COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc2cccnc12 815430906 CIGCDEBUPJSPSX-UHFFFAOYSA-N 446.551 4.267 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C 915219974 XLLZUALRJOMEQA-UHFFFAOYSA-N 449.529 4.334 10 20 IICD Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917710097 ASWHNAWJBBXBIL-HUUCEWRRSA-N 441.478 4.472 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(OCc4cccnc4)c3)CC2)cc1 918039326 HDTMOXIJRNBXIL-UHFFFAOYSA-N 432.524 4.413 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1 918112551 CFJDPPJBMJIZGQ-XMMPIXPASA-N 434.584 4.014 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCSc4ccccc43)cc2F)C[C@@H](C)O1 918184969 VRDRTBDCKRRGIF-YRNRMSPPSA-N 429.561 4.476 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)cc2F)C[C@H](C)O1 918223130 YAJZBSNDKWWGJE-ROUUACIJSA-N 441.547 4.234 10 20 IICD Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918286358 HFDVEVGBGBXVAC-ROUUACIJSA-N 441.547 4.126 10 20 IICD O=C(Nc1cccnc1Oc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294044 BXJSBROPHYIARA-UHFFFAOYSA-N 443.459 4.340 10 20 IICD COCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 1327918373 VIBGZVDMGVYEKA-UHFFFAOYSA-N 426.538 4.075 10 20 IICD C/C=C(/C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1781717892 DGUFNHNGGUYKEJ-NIXMHJDOSA-N 449.595 4.188 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3C[C@H]3F)n[nH]2)cc1 1820780054 JUTUEHHXSCYIAT-VWPQPMDRSA-N 449.530 4.481 10 20 IICD CCN(CC)C(=S)S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10153872 UHPYLWCDFAJEDM-CYBMUJFWSA-N 426.563 4.149 10 20 IICD COc1cccc(NC(=O)COc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)c1 18150508 HCFUEZQBSBEGRC-UHFFFAOYSA-N 447.535 4.051 10 20 IICD CCOc1ccccc1Nc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)s1 18288081 AHBNXSRTRAELQX-UHFFFAOYSA-N 443.598 4.155 10 20 IICD COc1ccc(-c2cnc(CCC(=O)N3CCCN(c4ccc(OC)cc4)CC3)o2)cc1 109415411 PSSGPMYQNRPMSB-UHFFFAOYSA-N 435.524 4.030 10 20 IICD COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1OCc1cccnc1 237469782 UZBSPBVTXOCSOA-UHFFFAOYSA-N 447.579 4.168 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 726699468 OUDYVOYAMVMMKR-RTBURBONSA-N 438.572 4.099 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1N1CCCCC1 727029627 AGWSKXLCUDXDSB-UHFFFAOYSA-N 430.499 4.113 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(C)n1C[C@@H]1CCCO1 727864109 SEZYRVBUGFLDRT-SCWSXOCZSA-N 427.595 4.123 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)ccc21 728517384 BDSQHSNPBWDSSW-IBGZPJMESA-N 443.588 4.281 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(Br)ccc2OC(F)F)c1 728951177 DJWDJWYMRRMXNS-SNVBAGLBSA-N 445.260 4.325 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(=O)n(Cc4ccccc4)c3)cc2)CC1 731105826 LYBCQWBHEKWYJQ-UHFFFAOYSA-N 430.552 4.455 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 732705335 YJZWTGNWHKBVIV-UHFFFAOYSA-N 431.536 4.237 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Oc2ccccn2)cc1 733846641 VUKDOAPUNWXUAP-UHFFFAOYSA-N 436.487 4.296 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)ccc1OC 740605182 NVIALHIAVCOAOY-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COc1cc(N(C)Cc2ccc(OC)c(OC)c2Br)cc(OC)c1OC 741795568 MQQYPRTXCKKNQA-UHFFFAOYSA-N 426.307 4.129 10 20 IICD Cc1ccc2oc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)cc2n1 742751038 QLUARPVFTOZNOB-IBGZPJMESA-N 438.528 4.198 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Br)cc1 742799043 SPCKTFWLSWYMHS-OAHLLOKOSA-N 425.273 4.449 10 20 IICD CC(C)(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC(=O)OC(C)(C)C 742805156 HKSSQPGRQUFSDB-HNNXBMFYSA-N 441.519 4.066 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 743071297 MZIGPMJYIFVQKJ-UHFFFAOYSA-N 449.473 4.448 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc3scnc3c1)c2[N+](=O)[O-] 751197376 IRTNRUILGAFMSD-UHFFFAOYSA-N 429.413 4.232 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 752559186 HCKNXJCRCFVPMG-HXUWFJFHSA-N 442.560 4.213 10 20 IICD Cc1cnc(C(C)(C)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 754694779 ZPSCCFBRJDLMMW-CQSZACIVSA-N 433.533 4.079 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1cc(Br)cc(Cl)c1O 756392451 LBFFLGNCDLDEBV-NSHDSACASA-N 427.726 4.357 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2cc(F)cc(F)c2O)CC1 756768233 BOULFQAVEYQFBI-MRXNPFEDSA-N 438.540 4.083 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCc1ccc2c(c1)OCCO2 758894881 QMWMKIDKFMBEGB-UHFFFAOYSA-N 449.345 4.090 10 20 IICD O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 759581839 WPMNKWYSIQZKHY-AMIPQGNOSA-N 437.879 4.213 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC([C@H](O)c4nccn4C)CC3)c2C)cc1C 760881735 WWFRDVYLBRULGK-VWLOTQADSA-N 434.584 4.073 10 20 IICD C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1CC(F)(F)F 763172860 CIKHSMCMDSUNGE-HNNXBMFYSA-N 433.434 4.136 10 20 IICD C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 765076923 FBLPLBLKVABFQM-HNNXBMFYSA-N 439.453 4.188 10 20 IICD CC[C@@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccc(N(C)C)cc1 765471390 DHIDZLCOOLFFTG-XMMPIXPASA-N 429.630 4.256 10 20 IICD O=C(NCc1cccc(Br)c1O)C(=O)Nc1cc(C(F)F)ccc1Cl 765927385 QRNMWBTYVVOIOF-UHFFFAOYSA-N 433.636 4.001 10 20 IICD O=C1/C(=C\c2ccc(OC(F)F)c(Br)c2)SC(=S)N1Cc1ccon1 768301994 GEBIXVFCVJYIPY-WUXMJOGZSA-N 447.282 4.440 10 20 IICD Cc1ccc(NC(=O)C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)nc1 768539103 QJBMGCMELJHYRM-UHFFFAOYSA-N 437.544 4.139 10 20 IICD COc1ccc(N2CCC(NC(=O)NCC3(CCOCc4ccccc4)CC3)CC2)cc1 770488286 ACAWBNSOVZPMJD-UHFFFAOYSA-N 437.584 4.350 10 20 IICD COCc1ccccc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 771370468 LNQLMNJEWIFCOM-UHFFFAOYSA-N 429.564 4.450 10 20 IICD C[C@@H](Oc1cccnc1NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 771818099 HGBRMNQJZKSOLI-LJQANCHMSA-N 432.524 4.380 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)ccc21 773782882 DTJWBZUEJUVZAF-OXQOHEQNSA-N 443.588 4.422 10 20 IICD Cn1cc([C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2cccc(F)c2)cn1 779018578 MJBCGOJINVOFQV-JOCHJYFZSA-N 448.464 4.294 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)c2)CC1 781275185 HQTSHLRYIGGHAJ-UHFFFAOYSA-N 442.541 4.016 10 20 IICD Cc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccccc1Br 781371646 RPEIDGJIOOSPRD-UHFFFAOYSA-N 446.389 4.187 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 784030551 RJSKKMHVHZELPT-UHFFFAOYSA-N 449.345 4.319 10 20 IICD Cc1ccnc(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)n1 784107782 BIPNFFVOHWBGNC-UHFFFAOYSA-N 429.524 4.196 10 20 IICD C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1ccc(N2CCOCC2)cc1 789631213 VKKKFOYNHMOSKC-AWEZNQCLSA-N 430.961 4.130 10 20 IICD Cc1n[nH]cc1C1CCN(Cc2cc(Br)cc(Br)c2O)CC1 793613459 XASUVMMHLWFETR-UHFFFAOYSA-N 429.156 4.328 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 797631589 ZCWJMHSHJKZESR-LSDHHAIUSA-N 429.517 4.436 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 802267972 GYKKCSMUXRMPEF-PKTZIBPZSA-N 445.991 4.429 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 802550111 MBKJQZPHOFQAFD-UHFFFAOYSA-N 446.551 4.119 10 20 IICD CC(C)c1ccc(CCCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 805748687 QDWQBVOPWNOIIF-UHFFFAOYSA-N 434.536 4.386 10 20 IICD CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)sc2C1 806830305 CLDUOYJHYCAQTD-INIZCTEOSA-N 428.602 4.005 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl 806860133 IEDIRVGXOQVHGY-HRAATJIYSA-N 432.948 4.067 10 20 IICD CNC(=O)Nc1cc(NCc2cc(Br)cc(Br)c2O)ccc1F 809699397 RIXIORXNAKXBBW-UHFFFAOYSA-N 447.102 4.420 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1O 810157838 DJHRKWGXGJPBLY-UHFFFAOYSA-N 442.781 4.398 10 20 IICD CCOc1ccc([C@@H](O)C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 812777111 XCSXNZLHXOOAAU-RUZDIDTESA-N 428.548 4.007 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)F)c(F)c3)cc2F)C[C@@H](C)O1 815063151 WRQDWUWNLVBOMZ-CHWSQXEVSA-N 426.410 4.110 10 20 IICD CSc1ccccc1C(=O)NC[C@H]1CSCCN1C(=O)c1ccccc1SC 815916560 CKKJMUKYJQRPRR-HNNXBMFYSA-N 432.636 4.118 10 20 IICD CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc(OC)c1 914529044 MLHRZJWMSWUFOV-UHFFFAOYSA-N 430.416 4.046 10 20 IICD COCCOCCNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916628163 BTHMMRCXZJBHEX-IBGZPJMESA-N 439.478 4.144 10 20 IICD O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917381272 ZPCCPWZCSJLDIS-UHFFFAOYSA-N 432.486 4.280 10 20 IICD Cc1cc(Br)oc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917714095 MYHHJFAZGQHFOG-STQMWFEESA-N 425.298 4.033 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1CCc1ccccc1 918082009 WUZPTUWWQNUMQV-NRFANRHFSA-N 425.548 4.094 10 20 IICD C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2[N+](=O)[O-])C1 918374599 PEFZETAERQRJMF-ROUUACIJSA-N 438.528 4.166 10 20 IICD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1 1116849978 DJGAPLSEUZUQIP-UHFFFAOYSA-N 431.839 4.136 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1)C1=COCCC1 1790777395 WRINZPIMDPUJMN-UHFFFAOYSA-N 442.899 4.193 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)C1CCCCC1 1816708707 HULXTQGMUXKOGI-QGZVFWFLSA-N 446.935 4.361 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c(C)n1-c1ccccc1 10241278 DBTUAORKGDBFEE-UHFFFAOYSA-N 445.924 4.191 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 18215374 JPUGUPUTTDRDDC-UHFFFAOYSA-N 443.956 4.137 10 20 IICD COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 110147000 RQYCCUFWDJOMMI-QFIPXVFZSA-N 448.567 4.077 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CNc3cccc(C(F)(F)F)c3)cc2F)C[C@H](C)O1 111072331 XQKQHMJKAZAFHJ-GJZGRUSLSA-N 439.453 4.186 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 726631979 MCSWLZYEVOTRAU-UHFFFAOYSA-N 425.819 4.248 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3nc(C(C)(C)C)cs3)cc2F)C[C@@H](C)O1 729506807 RTETWPIWFWCNKO-HZPDHXFCSA-N 448.608 4.235 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)cc3Br)cc2F)CC1 730133612 BRAUZAVBLATZFR-UHFFFAOYSA-N 449.368 4.360 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)CC1 731015444 RWNPYCGXUJPSSP-JOCHJYFZSA-N 434.584 4.483 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)COc1ccc(F)cc1 731036040 DSPRQEQLMUECMU-FQEVSTJZSA-N 430.520 4.043 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(=O)n(-c2ccccc2)n1C 731108024 YDQPRHXUQYBNAO-UHFFFAOYSA-N 433.556 4.042 10 20 IICD O=C(NCc1ccc(OCCN2CCCC2)cc1)N(Cc1ccco1)Cc1ccccc1O 732473577 UYQCJSWDDNTVQA-UHFFFAOYSA-N 449.551 4.372 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1Cl 732919197 VLUNJTGSULGJCF-QGZVFWFLSA-N 425.939 4.447 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1F 733646247 FOOOIRDLNKYFMS-UHFFFAOYSA-N 442.535 4.088 10 20 IICD C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 733845117 MHHOKPKLYUWIGR-AWEZNQCLSA-N 441.425 4.486 10 20 IICD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 736567745 ODNMIUUVSHJSSA-UHFFFAOYSA-N 435.499 4.266 10 20 IICD CC(C)n1ncc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc21 737111259 VANWTAWDXWEIFU-UHFFFAOYSA-N 432.480 4.083 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)c2C)c1 739766426 QLZGBGNWBXQZHY-UHFFFAOYSA-N 430.552 4.357 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc(CC(F)(F)F)no1 741853935 QZZSNFANZVHXRK-UHFFFAOYSA-N 426.420 4.121 10 20 IICD CCOc1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1Cl 742798106 JKLDNVWDFBWDFM-AWEZNQCLSA-N 425.863 4.134 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 743389156 YYECNXOGNUJSEK-UHFFFAOYSA-N 425.426 4.288 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1Cl 748052860 XGHIUXMFEWESLJ-UHFFFAOYSA-N 435.977 4.109 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cccc(Cl)c1SC(F)F 749729881 CUTWNJWCTRCMOO-UHFFFAOYSA-N 437.946 4.348 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1cccs1 756337942 ZHRXULLUSSAYNU-OFVILXPXSA-N 436.577 4.341 10 20 IICD O=C(CCn1ccc2cc(Cl)ccc21)NCc1ccc(N2CCC(CO)CC2)cc1 759132091 NHZMNGUYSDZCSU-UHFFFAOYSA-N 425.960 4.210 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nnn1-c1ccccc1 765072800 FFPHUVDPAAHDEI-MRXNPFEDSA-N 445.489 4.282 10 20 IICD COC(=O)c1cc2c(CN(Cc3ccccc3O)C[C@H]3CCCO3)ccc(OC)c2o1 768161591 HLHNEYKMDSXFPD-GOSISDBHSA-N 425.481 4.115 10 20 IICD C[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccncc1 769148189 YBJGZYCUKWVRSM-DYESRHJHSA-N 426.561 4.023 10 20 IICD O=C(Cc1cc(F)ccc1Br)Nc1c(-c2ccccn2)nc2ccccn12 771398353 AWBCHHXKCIKOTK-UHFFFAOYSA-N 425.261 4.479 10 20 IICD CC(C)c1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)cn1 771585683 JAEJBQLMTIORLQ-UHFFFAOYSA-N 442.522 4.490 10 20 IICD C[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccc(N(C)C)cc1 773023905 LCWQHUAUEHMBRG-QGZVFWFLSA-N 439.943 4.138 10 20 IICD CC(C)=CCOC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 775279100 DXWFRYJBTCSSQB-NTEUORMPSA-N 426.357 4.160 10 20 IICD COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)c1 776154872 DXCAZOHWXDEWET-AWEZNQCLSA-N 437.353 4.409 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 779332982 RIUIXIJYYAURGL-NYHFZMIOSA-N 449.954 4.016 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]21 784223789 TZZYCHAYBVQKSB-BAGYTPMASA-N 442.604 4.122 10 20 IICD CCNC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C 788728259 XKZMNQAOUFBRCG-SFHVURJKSA-N 426.517 4.055 10 20 IICD Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788929861 LHHUODMWENXGTL-KRWDZBQOSA-N 428.602 4.011 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 788931445 GNLACBMTLISZIF-UHFFFAOYSA-N 441.522 4.153 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 789377404 ISXVGAYGHLKKQD-LNLFQRSKSA-N 426.586 4.148 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cc1 790119880 CYTBEUFQMJBVSO-UHFFFAOYSA-N 430.593 4.075 10 20 IICD Oc1ccc(Br)cc1CNCc1noc(-c2cccc(Br)c2)n1 790947017 XQIBNUSBCPHAQU-UHFFFAOYSA-N 439.107 4.257 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccc(C)cc3)c3ccccn3)CC2)cc1 792292642 CIYNMMIIXIYMKJ-VWLOTQADSA-N 430.552 4.410 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccc(Cl)cc3-n3cncn3)C2)cc1 792999596 FJBLTKCKPMEGQF-QGZVFWFLSA-N 433.890 4.281 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cc2Cl)C1 799995336 YTDYPHJXXMZVNN-TVTNDZMWSA-N 438.037 4.430 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 802267973 GYKKCSMUXRMPEF-XZOQPEGZSA-N 445.991 4.429 10 20 IICD CC[C@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cccc(Cl)c1O 806127619 HRQJHARBQVFCHM-VQTJNVASSA-N 434.964 4.177 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cnn(CC(C)C)c3C3CC3)cc2F)CC1 806816106 IRYWIHGXSZYXEW-UHFFFAOYSA-N 442.583 4.019 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)N(Cc1ccco1)Cc1ccccc1O 808832430 MLOKOLDEXGYKSW-UHFFFAOYSA-N 445.475 4.226 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 812064292 PRPAYNXZIPVKFA-XZOQPEGZSA-N 435.572 4.147 10 20 IICD Cn1ncc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1-n1cccc1 904204267 ILBSPOIRDVWVSM-UHFFFAOYSA-N 428.452 4.422 10 20 IICD C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCO)c2C1 914531433 RHYPYJMDZBCTIJ-GMQRBVGNSA-N 429.564 4.488 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC1CCCC1 916680962 UNQLJQOZHAFQBP-UHFFFAOYSA-N 443.519 4.314 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 917208720 PJIQKBKTQSOIHQ-NRFANRHFSA-N 447.583 4.037 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3nc4ccccc4s3)cc2F)C[C@H](C)O1 918140911 ADAUIXYFXMSQNZ-GJZGRUSLSA-N 428.533 4.048 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Br)cc2C)cc1 918310477 NAMOESMUNBVLQH-UHFFFAOYSA-N 432.362 4.201 10 20 IICD CCN(Cc1c(O)ccc2ccc(O)c(CN(CC)C[C@H]3CCCO3)c12)C[C@H]1CCCO1 919946051 XQVZFCWEINJDAM-NHCUHLMSSA-N 442.600 4.253 10 20 IICD Cc1nnnn1[C@H](Cc1cccc(F)c1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1322099025 MFBHECYGEVPHSD-JOCHJYFZSA-N 443.486 4.410 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(Br)cc3)CC2)cc1 110467388 SAHJQUQDPYPGGK-HNNXBMFYSA-N 432.362 4.487 10 20 IICD CCN(CC)CCOc1ccccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 195546727 OLBGZJRIILJINO-UHFFFAOYSA-N 440.588 4.160 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(Br)ccc3OC)CC2)cc1 195598611 DQIYVJWUDSJVRO-UHFFFAOYSA-N 434.334 4.211 10 20 IICD CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)CC1 615979312 NNVYWQGWINMXQH-UHFFFAOYSA-N 447.560 4.027 10 20 IICD O=C(NCC1(c2ccc(F)cc2)CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610748 NQFQAZYSHLOGPR-UHFFFAOYSA-N 433.474 4.427 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(-c4ccoc4C)nn3CCO)c2C)cc1 727386329 NYGXPUCCKGVFAX-UHFFFAOYSA-N 434.496 4.112 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCc1ccccc1 727490708 WFFQMUNODZFYSU-HMMYKYKNSA-N 428.554 4.106 10 20 IICD O=C1/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC(=S)N1CCc1cccnc1 727864438 WHWRPBPDZMSOHN-VXLYETTFSA-N 440.981 4.424 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(OC)c(OC)cc2Br)c1 729034711 NUGNTUKDXMVRPP-JTQLQIEISA-N 425.279 4.063 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cc1 732114853 OGKKZFAAVDJTCL-SANMLTNESA-N 443.547 4.272 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1)CC1CCOCC1)c1ccc(N2CCOCC2)cc1 732455317 DLRWRSMYRFWRNK-NRFANRHFSA-N 437.584 4.223 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CC[C@@H](COC)C2)sc(C)c1-c1ccccc1 739923129 TZUVIHZMLKLASB-QGZVFWFLSA-N 430.570 4.197 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 740801073 NPNCIKXFQOHCII-UHFFFAOYSA-N 441.597 4.494 10 20 IICD O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799588 ZMUUSKYQUUDUEF-CYBMUJFWSA-N 428.451 4.444 10 20 IICD O=C(CCc1nc(O)c2c3c(sc2n1)CCCC3)NCc1c(O)ccc2c1CCCC2 743718835 LLNNYOMRBYLKEA-UHFFFAOYSA-N 437.565 4.109 10 20 IICD C[C@@H](c1cccnc1)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 743723167 NFGOEAMNCHRBMM-IQGJIOQQSA-N 431.608 4.344 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1cccc(C(F)(F)F)c1 745622160 KUVMVJCHALIXMR-OAHLLOKOSA-N 445.441 4.367 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 746784421 WQKIDEMCGAHIQU-UHFFFAOYSA-N 443.547 4.429 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)CC2)cc1 747542681 VUEUPOQYEGOMGT-BGYRXZFFSA-N 438.572 4.053 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccn(-c4ccccc4Cl)n3)cc2F)C[C@@H](C)O1 747643065 VBTDAJXITHETJU-IYBDPMFKSA-N 442.922 4.208 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(C(N)=O)s2)c(C)n1-c1ccc(F)c(Cl)c1 748965313 FWOCVEYPODZOEO-UHFFFAOYSA-N 434.876 4.087 10 20 IICD CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 749350063 CBKUDJXOWJROAF-DENIHFKCSA-N 427.976 4.098 10 20 IICD COCc1c(Br)cccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 750718042 YGHFTPTTZBOTCY-UHFFFAOYSA-N 448.361 4.348 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](c3ccc(F)cc3)c3cccnc3)CC2)cc1 753612883 UGOOBTXEVBDUDI-SANMLTNESA-N 434.559 4.121 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1F 754188160 AZQGUYSFKUNTIG-UHFFFAOYSA-N 439.453 4.422 10 20 IICD C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)cc(F)c1O 756353308 YRQZXQXIMGCNNO-BFUOFWGJSA-N 441.316 4.157 10 20 IICD C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc(Br)cc(Cl)c1O 756430182 JELFLJAPDQRFOR-GFCCVEGCSA-N 441.753 4.126 10 20 IICD C[C@@H](NCCc1ccc(CO)cc1)c1cc(Br)cc(Br)c1O 756791352 SBCTVDMLNGSEIQ-LLVKDONJSA-N 429.152 4.303 10 20 IICD COc1ccc(O)c([C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 756873800 KGRYDTHZWLMBME-IIBYNOLFSA-N 429.561 4.383 10 20 IICD C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Br)cc(F)c1O 760033361 JHMWTLKWRGWKBY-VIFPVBQESA-N 436.730 4.202 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1F 760954040 IYSZSAYIEXWPCZ-UHFFFAOYSA-N 440.519 4.033 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c(O)c(Br)c1 763398298 MADLVYUKTCUCCU-UHFFFAOYSA-N 442.151 4.255 10 20 IICD C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 766127163 APKODSACRNMNQC-QGZVFWFLSA-N 433.955 4.003 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)cc1 766362393 UKLFMQWKFLPONA-UHFFFAOYSA-N 438.753 4.204 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)[C@H](Oc1ccccc1Br)c1ccccc1 767788404 ZLVRVYMGDPOGBF-OAQYLSRUSA-N 442.309 4.339 10 20 IICD CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(N2CCOCC2)c(F)c1 768171306 BQSMVMDHCGGYGO-UHFFFAOYSA-N 439.453 4.142 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 769289124 DRGWOMHKEBOJPS-IBGZPJMESA-N 433.346 4.161 10 20 IICD COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)OC(C)C 770358077 JGCLOMYZKLJKAY-YADARESESA-N 441.572 4.058 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccc2c(c1)COC2 770882134 PPMFGYOASKHPLL-UHFFFAOYSA-N 427.548 4.334 10 20 IICD C[C@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773051046 WINXGXFCGYMAFL-YADARESESA-N 442.003 4.061 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(N(C)C)cc1 773860229 WZRFEQBUCHFUDA-KRWDZBQOSA-N 448.592 4.193 10 20 IICD COc1cc2c(c(OC)c1OC)CCN(Cc1cc(Br)cc(C)c1O)CC2 775731036 HFLCLSMLOSXWOJ-UHFFFAOYSA-N 436.346 4.090 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1csc(-c2cccc(F)c2)n1 777826968 VQYYFLLNZFNNEM-UHFFFAOYSA-N 448.903 4.053 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 778017037 CXDWUGIKBOAQKE-AWEZNQCLSA-N 441.381 4.073 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3OCCOC)n2)cc1 786874563 SDBMREMUXARVJP-UHFFFAOYSA-N 436.530 4.338 10 20 IICD Oc1ccc(Cl)c(F)c1CNCc1ccc(Br)cc1N1CCOCC1 790977382 JHRILNNEWDCEFJ-UHFFFAOYSA-N 429.717 4.074 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccnc3C(=O)c3cccnc3)c2C)cc1 794726676 MUSZQPSYTMLART-UHFFFAOYSA-N 428.492 4.198 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800494282 VRFWFEGRSBJCRI-IRXDYDNUSA-N 436.021 4.335 10 20 IICD CCOCCOCc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 804913595 LZEJHEWHVLQLDJ-UHFFFAOYSA-N 427.328 4.252 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nc(Br)sc3C3CC3)CC2)cc1 806538524 KTAPROPUPBNFEQ-UHFFFAOYSA-N 436.375 4.144 10 20 IICD Cc1cc(Br)c(O)c(CNc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 863991598 JBTWGSUBBCENDA-UHFFFAOYSA-N 427.364 4.104 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)ccc21 915222308 OWPLCFABARUHAN-UHFFFAOYSA-N 427.551 4.218 10 20 IICD Cc1ccccc1OCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 917850528 LJTOBIVDPIJXEL-NBVRZTHBSA-N 446.619 4.233 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918219695 NKVXFVYZSWSLQV-OALUTQOASA-N 442.579 4.285 10 20 IICD COc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918222801 XHKUQHMJKMJNES-IEGUWTFLSA-N 441.547 4.495 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 918308932 CVDBRQZZBUSBQK-UHFFFAOYSA-N 439.890 4.385 10 20 IICD CN1CCN(c2ccccc2NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 919652530 IPXURDNUDWOEEW-UHFFFAOYSA-N 447.583 4.332 10 20 IICD C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920881021 LBQUAPHBDYYESR-FQEVSTJZSA-N 444.531 4.010 10 20 IICD O=C1CCSc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2N1 726566230 KVWMTIYHYWUSCE-UHFFFAOYSA-N 447.507 4.121 10 20 IICD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2C1 727946247 BPWNGBPBYMIYRQ-LJQANCHMSA-N 448.611 4.242 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1 729277617 FKGISWGBPPSPMV-GFCCVEGCSA-N 444.329 4.457 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 730119783 PWGOMKHHRHXBGW-HDICACEKSA-N 437.519 4.255 10 20 IICD CSCCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731131549 NBIVBOPHLOKVIP-UHFFFAOYSA-N 425.598 4.083 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 731280473 ZSJWYFZMGGUDDH-WOJBJXKFSA-N 425.573 4.123 10 20 IICD Cc1ccc(S(=O)(=O)N[C@@H](CCOC(=O)c2cc(O)cs2)c2ccccc2)cc1 732354682 QDUCTYYBUQHLTH-IBGZPJMESA-N 431.535 4.029 10 20 IICD Cc1nn(C)cc1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 733607099 CLFNNTMYFIYEDK-HNNXBMFYSA-N 431.439 4.166 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 734072199 SUMXBMCRZBXEEU-YOEHRIQHSA-N 437.462 4.054 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 734663988 RZLCZEUDBFKTHM-UHFFFAOYSA-N 440.551 4.308 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(NC(=O)NC(C)(C)C)ccc3Cl)CC2)cc1 741660311 NEUHVBREQZTLED-UHFFFAOYSA-N 444.963 4.231 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncn1-c1ccc(F)cc1 742799254 WERKFLDFIUADPX-INIZCTEOSA-N 430.430 4.012 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1N1CCCCC1 742806209 QKGCHLFTXLWPNY-QGZVFWFLSA-N 430.499 4.072 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cc(Cl)ccc3OC(F)F)CC2)cc1 745934081 YNZGBQYMMRCCEC-UHFFFAOYSA-N 439.890 4.372 10 20 IICD COc1ccc(N2CCC(NC(=S)NCc3ccc(Br)cc3)CC2)cc1 747647789 BDHQOLUEGRQPAD-UHFFFAOYSA-N 434.403 4.091 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 749011985 WAEWLVDGJZVSRU-UHFFFAOYSA-N 438.477 4.293 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3ccc(Br)c(C)c3)CC2)cc1 751265848 PCRBMLJXGSUHOB-UHFFFAOYSA-N 431.374 4.484 10 20 IICD COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 751305440 FFRFHEHPQVWQIM-UHFFFAOYSA-N 444.491 4.405 10 20 IICD Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 756052469 HCYAATUPZMFGGC-AUSIDOKSSA-N 447.583 4.117 10 20 IICD CCc1c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cnn1CCC(C)C 756174001 MQHLLTGMOHQTCK-UHFFFAOYSA-N 440.588 4.497 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)s1 756537485 ZSRDLYYKSHGRMM-BBRMVZONSA-N 426.579 4.004 10 20 IICD COC(=O)c1cn(CC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)c(C)n1 756877110 SLKXNELHMSWPMH-UHFFFAOYSA-N 435.402 4.167 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c(O[C@H]2CCOC2)c1 758898411 DRRXYKPWSYDAEJ-QFIPXVFZSA-N 436.508 4.373 10 20 IICD COc1cc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)ccc1C 761656771 JHSAAQYPFIALTH-UHFFFAOYSA-N 443.506 4.289 10 20 IICD CCC[C@@H](C)c1noc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1 761846887 GYVQGHYXPADUKS-GFCCVEGCSA-N 432.458 4.055 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 765779353 VPVDKXZVMIWAFM-HXUWFJFHSA-N 429.630 4.356 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)cc1 765994658 QNLMZRKYQYVUGT-OAQYLSRUSA-N 429.992 4.277 10 20 IICD CC(CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 766908783 DSLRTYBBVXLQPB-PMACEKPBSA-N 438.616 4.290 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC1CCS(=O)(=O)CC1 767197076 IOQKXVMLGXSNHV-UHFFFAOYSA-N 429.405 4.249 10 20 IICD O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)c1ccc(O)c(O)c1 768412301 OZLMXQXNULKRIG-UHFFFAOYSA-N 425.441 4.112 10 20 IICD Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 773995791 WBBVOVHEDQQOAB-GOSISDBHSA-N 437.565 4.353 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H](c3ccc(F)cc3)CC2)c1 777971328 WVYKUQBBQHIIHF-HXUWFJFHSA-N 440.559 4.336 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1OC 783486240 NWJZBCKTIYRKRX-KRWDZBQOSA-N 433.508 4.409 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 786835013 XPNCAHJQHPRWKM-UHFFFAOYSA-N 426.952 4.027 10 20 IICD O=C(NCc1ccc(Sc2ccccc2)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 788933628 RBFZYTLWNNNVTQ-UHFFFAOYSA-N 445.588 4.371 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 791251093 ZGAZRXJZLHKDDC-RTBURBONSA-N 430.495 4.457 10 20 IICD Cc1ccc([C@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)c(C)c1 792038014 HEZXBDHAGWZIQR-FQEVSTJZSA-N 425.548 4.103 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Cc3ccc(Br)cc3)cs2)cc1 795586663 FGCVVWWUKUTHRM-UHFFFAOYSA-N 445.338 4.047 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 804277907 JSBDMSWHRCTBKR-UDLNKVAWSA-N 446.623 4.206 10 20 IICD COCCCOc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 805091193 BVCKPBIHLODSFQ-UHFFFAOYSA-N 425.573 4.338 10 20 IICD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)cc(Cl)c1O 807838106 IRNUACUBNUBBPY-UHFFFAOYSA-N 431.297 4.276 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)C2CC2)cc1 914479221 AOPLLRDNTRUBFQ-UHFFFAOYSA-N 439.515 4.358 10 20 IICD CC(C)[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCO2 915930914 BPAXLKKGANRZSI-QHCPKHFHSA-N 441.597 4.208 10 20 IICD CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccsc1 916437137 PTJLRFJNRUJMBK-NHCUHLMSSA-N 431.602 4.227 10 20 IICD C[C@@H]1CN(c2ccc(CN=c3nc(-c4ccncc4)[nH]c4ccccc34)cc2F)C[C@@H](C)O1 917086410 JYERTZIACFHMBB-QZTJIDSGSA-N 443.526 4.479 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C1CC1)[C@@H](C)C1CC1 917191709 KCWYXBJXHDESPB-HNNXBMFYSA-N 427.570 4.223 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)cc2)C1 917833945 VXXMNUZNKTXMCC-OAQYLSRUSA-N 429.520 4.111 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918208896 JESBFEWXDNQBCO-XHSDSOJGSA-N 433.499 4.147 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 919968655 MZVSIYIENQJRGN-UHFFFAOYSA-N 439.556 4.172 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCCC2 1317882592 MQKBWKMQZIEACX-INIZCTEOSA-N 426.538 4.283 10 20 IICD C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)CN(C)C(=O)OC(C)(C)C 1318425339 JEXWFMOZZOITPX-QGZVFWFLSA-N 431.533 4.200 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(CC(F)F)C2CCS(=O)(=O)CC2)c1 1321322434 CDALVZMNKGHHPB-UHFFFAOYSA-N 444.931 4.032 10 20 IICD COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C 303695500 NDGXGNYVTURYDL-OAQYLSRUSA-N 432.524 4.049 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)ccc1NC(=O)C1=S=CC=C1 533907446 QFUORRBBAJRSFR-UHFFFAOYSA-N 447.560 4.008 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 729046628 SRUSXZCQMRNBKE-GOSISDBHSA-N 447.535 4.200 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN3c3ncnc4sccc34)cc2)CC1 731016016 CAHCWDVTUGGHPC-OAQYLSRUSA-N 435.597 4.213 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 731885815 WVMFXYRQNZKHEG-DVECYGJZSA-N 426.557 4.269 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1Br 732150448 BSNOMTWJDCZCLU-KRWDZBQOSA-N 444.373 4.084 10 20 IICD CCN(CC)c1ccc(CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 733133170 KBQJEULMPBHEMX-JJIBRWJFSA-N 428.536 4.015 10 20 IICD CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCCCSc2nccs2)cc1 733973766 WMVWUFKZJJOCBW-KRWDZBQOSA-N 449.667 4.254 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(C)c1C 735409081 WVIGEFNMVLAQCG-UHFFFAOYSA-N 432.523 4.008 10 20 IICD C[C@@H]1SCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]1C 735644423 IUDWZYFVQJCBNH-UCASCVRBSA-N 426.654 4.082 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 741181489 ZFNFEFINHYPFSY-UHFFFAOYSA-N 436.577 4.437 10 20 IICD CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cc1F 741686610 IAXSEXZHOXQYRG-HSZRJFAPSA-N 429.511 4.085 10 20 IICD O=C(/C=C\c1cncc(F)c1)N1CCCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 741936064 DSDMBUCWORTFTM-VRHVFUOLSA-N 446.457 4.251 10 20 IICD CCOC(=O)c1ccc(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743016200 UHBJVNBRNNDUKW-QGZVFWFLSA-N 449.523 4.420 10 20 IICD C[C@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc(N2CCOCC2)cc1 745781174 YAFJFJDWAXYOJS-AWEZNQCLSA-N 439.890 4.338 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1C 748756257 YPCAXTLTTJVWBH-UHFFFAOYSA-N 430.552 4.357 10 20 IICD Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)C2)cc1 751301357 CVNOJCNDSHGLAM-FQEVSTJZSA-N 439.519 4.196 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 751306302 RYLOHLUKENWLOQ-UHFFFAOYSA-N 432.396 4.082 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(c2ccncc2)CC1 758890221 ZGUZECDRSUNSNI-LJQANCHMSA-N 430.499 4.241 10 20 IICD COc1cc(N2CCN(C(=O)/C=C(\C)c3ccccc3Cl)CC2)cc(OC)c1OC 759236271 BJGCJSWHQKEYPB-DTQAZKPQSA-N 430.932 4.118 10 20 IICD O=C(NCCCSc1nccs1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 759601514 NHJAIVWYQOQXID-JOCHJYFZSA-N 430.643 4.323 10 20 IICD CCCc1c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1cc(C)ccn1 760969312 IVBKMUILNBFDNA-LJQANCHMSA-N 448.571 4.248 10 20 IICD CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 761994788 GTSCFOBQWDTXGS-UHFFFAOYSA-N 444.484 4.372 10 20 IICD CCCCOc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1OC 764759638 AZVLOLJOCFYWKX-UHFFFAOYSA-N 437.334 4.342 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 765643069 DVVIMRVWJNYFEM-YADARESESA-N 445.554 4.136 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773849335 YRTVHJRDVFGCEA-QGZVFWFLSA-N 433.508 4.369 10 20 IICD COc1ccc(Br)cc1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 774868646 GQIGQDHKAUESHC-OAHLLOKOSA-N 437.290 4.417 10 20 IICD C[C@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 775253635 AEKVRASJIIFMPQ-JKSUJKDBSA-N 436.383 4.358 10 20 IICD C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOCC2)cc1 775259673 XBWYCMWEZWWAGD-CQSZACIVSA-N 441.881 4.485 10 20 IICD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCCC2)c1 775402462 BSSTZXXXOWMOML-IBGZPJMESA-N 428.598 4.333 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)ccc1Br 783315977 JWGQEIYISXDCCY-UHFFFAOYSA-N 436.325 4.030 10 20 IICD C[C@H](c1ccccc1)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1O 784225739 ZOSPXHJSJQHVSJ-GOSISDBHSA-N 440.521 4.338 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)nc1 791629150 STLOQYJWANGBGQ-UHFFFAOYSA-N 444.495 4.320 10 20 IICD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 806920332 JEGJEZWXAFJELR-UHFFFAOYSA-N 435.568 4.215 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 811518425 KIQNQBLVQKANHQ-HOCLYGCPSA-N 431.168 4.451 10 20 IICD CC(C)(C)c1cc(CNc2ccc(C(=O)NCCC(N)=O)cc2)c(O)c(C(C)(C)C)c1 814255331 IRYFONOCAGFNSL-UHFFFAOYSA-N 425.573 4.205 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 819518877 JFPSEBGYNNTQNE-UHFFFAOYSA-N 445.541 4.319 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 857472605 MMMFTYMDTPQAEH-HXUWFJFHSA-N 427.976 4.349 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)s1 918742655 FATVNWYVVJXOAK-JTQLQIEISA-N 427.598 4.239 10 20 IICD C[C@H](NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1ccc(N2CCOCC2)cc1 920869412 YIGAVNPNALCYQA-MSOLQXFVSA-N 443.617 4.094 10 20 IICD CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920924735 DWYATJXENQEQNO-MRXNPFEDSA-N 443.975 4.117 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(N3CCNC3=O)c2)cc1 1318397660 NZGHXYWBNPAJGS-UHFFFAOYSA-N 444.535 4.138 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)CC1 1322591350 OZEOTPNDRMVMEI-QHCPKHFHSA-N 434.584 4.027 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 10962199 IMNQXJBRTPLHEG-UHFFFAOYSA-N 436.556 4.460 10 20 IICD CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\CCn2c1nc1sc(C)c(C)c1c2=O 207056329 QYKJSRDLBJFJHQ-FOWTUZBSSA-N 446.532 4.382 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc21 303199753 NYSDOPCHGGOBAV-IBGZPJMESA-N 443.588 4.281 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 303424685 AJMJKEURLBJZAI-UHFFFAOYSA-N 427.593 4.436 10 20 IICD Cc1nc(-c2cccc(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)c(C)c4)n3)c2)n[nH]1 546463638 WVLJKUASNPDNDN-UHFFFAOYSA-N 442.504 4.022 10 20 IICD CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc1 727119509 VTXSMJZVKTYUBX-UHFFFAOYSA-N 437.584 4.338 10 20 IICD NC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)s2)SC1=S 727175761 HBLIAQPKFVUJJW-NTUHNPAUSA-N 428.482 4.120 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2ccccc2Cl)C1 728948998 MDLHBVINPITQQD-NRFANRHFSA-N 431.989 4.176 10 20 IICD CC1CCN(c2ccc(CNC(=O)CSCC(=O)N(C)C3CCCCC3)cc2)CC1 731016161 OMIHDQPXPDLLAW-UHFFFAOYSA-N 431.646 4.063 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)cc1 731049875 UAHCAGIMYHNWMK-UHFFFAOYSA-N 436.600 4.400 10 20 IICD C[C@@H](NC(=O)NCCCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 731223412 ZNVGPVGSEJRNOW-QGZVFWFLSA-N 446.389 4.279 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 734011437 IMYXUGVQHCMXIH-KRWDZBQOSA-N 436.478 4.072 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1[nH]c2ccccc2c1Br 735828548 YOZWWAYEKTUGHC-UHFFFAOYSA-N 442.357 4.069 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 740917078 LCFVVDZPKIEYTA-IBGZPJMESA-N 430.474 4.160 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NCc3cc4c(cc3OC(F)F)OCO4)C2)cc1 742384689 JEIFOCRMIUJJGX-AWEZNQCLSA-N 442.409 4.377 10 20 IICD COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1NC(C)=O 743086910 DVJUIXYGMYFNEC-MRXNPFEDSA-N 448.470 4.046 10 20 IICD CCNC(=O)c1ccc(C)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743099374 USMKSXGVOPAUAF-KRWDZBQOSA-N 446.498 4.137 10 20 IICD COc1cccc(N2C(=O)/C(=C\c3cc4c(cc3OC(F)F)OCO4)SC2=S)c1 743280084 NIFIVRHZJDWVFH-OMCISZLKSA-N 437.445 4.431 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 745656545 YWZCVCVWHRUSLD-GOSISDBHSA-N 442.991 4.478 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](OC1CCOCC1)c1ccccc1 747389786 POKQITJQSRUODX-NLFFAJNJSA-N 437.584 4.411 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 748530392 TZZUWKZJGWCOOG-HSZRJFAPSA-N 438.959 4.413 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(-c4ncccn4)s3)c2C)c1 750200102 GHDJHMFSGBYHMU-UHFFFAOYSA-N 432.505 4.356 10 20 IICD CCCc1c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1-c1cccc(F)c1 753013562 OMILXBQEOZWAFS-UHFFFAOYSA-N 437.519 4.327 10 20 IICD Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753635633 GHQKOIDRSICACX-ZDUSSCGKSA-N 428.485 4.220 10 20 IICD C[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(Br)c1O 756764765 KNKAAVYTGKDBOR-WCQYABFASA-N 449.183 4.296 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC[C@H]2CCCO2)c1 757732725 NODNKBOEHZWTEF-XMMPIXPASA-N 437.584 4.493 10 20 IICD CN(c1ccc(CNC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1)C1CCCCC1 758740430 RLZNMESXKZKGJV-HSZRJFAPSA-N 448.611 4.303 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3)CC(F)F)cc2F)C[C@H](C)O1 759566451 CLTOOMJPUGJBJT-IRXDYDNUSA-N 435.490 4.416 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 764349831 IXWGMUHBMRRIRK-UHFFFAOYSA-N 426.542 4.022 10 20 IICD O=C(CN1CCCCCC1)Nc1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1 770546859 XICARQXEWXTUIJ-UHFFFAOYSA-N 432.908 4.380 10 20 IICD CCOC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 771067198 SEVNZPFUSZVRRY-LJQANCHMSA-N 431.920 4.008 10 20 IICD O=C(OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccccc1N=Nc1ccc(O)cc1 774954076 VQVPWPHAYDORBD-QGZVFWFLSA-N 449.385 4.087 10 20 IICD C[C@@H]1CCc2c(sc3nc(CN[C@H](C)c4ccc(N5CCOCC5)cc4)nc(N)c23)C1 775254834 JWYRYXXFFPOQPK-HZPDHXFCSA-N 437.613 4.086 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c(C)n1-c1ccccc1Br 776600587 AOLLNESIGKYTFV-MRXNPFEDSA-N 431.330 4.184 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1 777835529 ARHOWNGEIMQVQG-FQEVSTJZSA-N 431.536 4.191 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Br)c1Cl 780388891 FNCQLPBDXDCLCH-UHFFFAOYSA-N 441.728 4.133 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783316757 LJSFSGVKIZLNEY-UHFFFAOYSA-N 440.569 4.055 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 784560491 XXTFDOZLFOWDLA-UHFFFAOYSA-N 439.537 4.324 10 20 IICD CC(C)c1ccc([C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2cccs2)cc1 785424091 LPZDXCJJRGLRND-HSZRJFAPSA-N 435.593 4.460 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 788931855 JUQRTDZDGUIVIS-VWLOTQADSA-N 441.575 4.046 10 20 IICD COc1ccc(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c(O)c1 792807733 RHRZVYRCFHFTFT-UHFFFAOYSA-N 442.519 4.312 10 20 IICD OC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1C(F)(F)F 793368924 CLZPTFYMFFACGS-SFHVURJKSA-N 432.845 4.158 10 20 IICD CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1csc(-c2c(F)cccc2F)n1 795953656 IWYWOBUFEXUHFB-UHFFFAOYSA-N 433.432 4.203 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NC2CC(C)(c3ccccc3)C2)cc1 804969119 JNVHEOUHWFESAW-UHFFFAOYSA-N 445.563 4.111 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 805276312 WCTUMCOOPULSJO-OAHLLOKOSA-N 427.492 4.219 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 806847341 NVRWVUBNLGHWED-UHFFFAOYSA-N 436.581 4.177 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(-c2ccccn2)c1C(F)(F)F 807839176 IXVFTYVPDFLNDE-UHFFFAOYSA-N 431.201 4.229 10 20 IICD CCOc1cc(CNCc2cc(Cl)cc(Cl)c2O)ccc1O[C@@H](C)C(=O)N(C)C 809775541 DASZMFCEYVQSIG-ZDUSSCGKSA-N 441.355 4.243 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc3ccc(=O)oc3c2)cc1 914454518 BDAIBFXEYVZHGQ-UHFFFAOYSA-N 432.476 4.060 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 916102133 OZEPFYKMPZCPND-UHFFFAOYSA-N 437.930 4.231 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc2c(c1)CCO2 916575219 BLQNABBFYPKPJD-UHFFFAOYSA-N 437.340 4.308 10 20 IICD CCOc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1OC 916686869 UZGLNRAZXBNBRV-HOTGVXAUSA-N 431.508 4.168 10 20 IICD CC(C)N(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(N(C)C)cc1 917074794 GHGPRAZSJCDZTR-HSZRJFAPSA-N 437.584 4.098 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(OCc4cccnc4)c3)cc2F)C[C@H](C)O1 917708730 IDPCOYCZAWVJKI-OALUTQOASA-N 449.526 4.343 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)c(F)cc2N1 917888330 LFVMLFLQIBRRNS-UHFFFAOYSA-N 437.905 4.288 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 918167796 ISPYWFIQNWFKSW-GASCZTMLSA-N 439.453 4.458 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CN(C)C(=O)C1CC1 918695929 GROXRLUCPMTOOO-LJQANCHMSA-N 433.474 4.167 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 919766615 LJCIYZKCCOAIPS-UHFFFAOYSA-N 438.531 4.306 10 20 IICD Cc1cccc(OC[C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 919781143 GOHMEJWHJOJYLM-FHWLQOOXSA-N 429.536 4.014 10 20 IICD C[C@@H](NC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 920868305 BVNJGYFKRCCDPT-LJQANCHMSA-N 425.573 4.260 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2)CC1 1117409199 QBFYXRIINRROBC-UHFFFAOYSA-N 427.504 4.185 10 20 IICD O=C(NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1792056769 HREJGRUPFZANCG-UHFFFAOYSA-N 432.879 4.391 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3cc(SC)ccc3Cl)CC2)cc1 24088754 INOYPNJYUUGZNZ-UHFFFAOYSA-N 434.005 4.013 10 20 IICD CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1O 71963582 ACMWHTXYPVUHAW-KRWDZBQOSA-N 441.380 4.209 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(N3CCNC3=O)cc2)cc1 97001950 YIBQIJWGMWOXGZ-UHFFFAOYSA-N 444.535 4.138 10 20 IICD COc1ccc([C@H](NCc2ccc(OC)c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 237360924 MMHPKLOOJQJZBB-DEOSSOPVSA-N 425.550 4.295 10 20 IICD Fc1cc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)ccc1N1CCOCC1 237808027 NRISFEBXUJJXAN-UHFFFAOYSA-N 443.526 4.200 10 20 IICD Cc1cc(-c2nc([C@@H]3CSc4ccccc4O3)no2)ccc1NC(=O)C1=S=CC=C1 446014927 BNMGIQIWCRCEMC-KRWDZBQOSA-N 435.530 4.487 10 20 IICD O=C(COc1ccccc1CNCc1cc(-c2ccccc2)ccc1O)NC[C@H]1CCCO1 725848412 SKJAEAZAXSLRCA-XMMPIXPASA-N 446.547 4.023 10 20 IICD CC(C)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726725947 IFTSBBYBNCYHME-UHFFFAOYSA-N 431.483 4.135 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2cccc(C(F)(F)F)c2)CC1 727478648 WKBOIRJJURONIJ-UHFFFAOYSA-N 433.474 4.073 10 20 IICD COc1ccc(Cn2ncc(C)c2NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC 728703631 JDJOIKYLWBMOKS-UHFFFAOYSA-N 445.523 4.312 10 20 IICD O=C1C[C@H](N2CC[C@H](N3CCCCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 730817353 QIYMITIRRYCFKY-GOTSBHOMSA-N 431.540 4.294 10 20 IICD C[C@H](NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 730904353 PHXKKAIDJXNMBX-LAUBAEHRSA-N 443.519 4.103 10 20 IICD O=C(c1cc(O)cs1)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 732283998 FIDMLZLFWPPXGY-UHFFFAOYSA-N 435.265 4.197 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccnn2C2CCCCC2)c(C)n1-c1ccccc1 743882367 TVYPFZFQZXFDHN-UHFFFAOYSA-N 433.556 4.093 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(NC(=O)c2ccoc2)c1 748994718 KSPUUGSTFYLJNB-UHFFFAOYSA-N 436.537 4.407 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3ccc(CCC(F)(F)F)cc3)CC2)cc1 751562326 BWNNZLZFHCMOLK-UHFFFAOYSA-N 449.517 4.132 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCc2ccccc21 751932238 YBBNEBVKIPMYPW-HSZRJFAPSA-N 449.576 4.477 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)cc1 756160360 SFFAIVXSZTYMQW-UHFFFAOYSA-N 438.753 4.204 10 20 IICD CC(=O)N(c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1)c1ccccc1F 759579738 OCICNEUXMFHLOB-VQHVLOKHSA-N 428.441 4.135 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCc1cccc(Br)c1 761264940 CTNRLIBIEMSLSA-UHFFFAOYSA-N 437.721 4.205 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(-c2ncccc2F)n1 768419966 BCKTUMQJLLIJLY-CYBMUJFWSA-N 448.470 4.344 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1 772544787 CFKQGQBRQFLNOJ-UHFFFAOYSA-N 430.333 4.253 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(-c4cc(F)cc(F)c4)nn3C)CC2)cc1 772671965 ICPOKXQBRCIVQY-UHFFFAOYSA-N 441.482 4.118 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 773238601 VAINOMKVDDDPGJ-NRFANRHFSA-N 449.979 4.315 10 20 IICD CCc1nc(CN2CCC(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cs1 773293945 BDLHJNYMNRDIGE-KRWDZBQOSA-N 429.634 4.044 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](c3ccc(Cl)c(Cl)c3)C3CC3)cc2)CC1 774412655 NBJPHGBDSADOJR-NRFANRHFSA-N 439.408 4.469 10 20 IICD CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 775622240 SGLUDZOONQVOSE-MOPGFXCFSA-N 443.510 4.077 10 20 IICD CCCCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 782897458 XDZXRLNBRTUELH-UHFFFAOYSA-N 425.529 4.266 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)c[nH]1 783694017 UFJKOUYEUZQGQY-AWNIVKPZSA-N 428.413 4.106 10 20 IICD O=C(OCCC(Cl)(Cl)Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O 785414009 SUGSNNMNDHVVDO-UHFFFAOYSA-N 444.745 4.172 10 20 IICD CCNC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C 788728258 XKZMNQAOUFBRCG-GOSISDBHSA-N 426.517 4.055 10 20 IICD Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 791910605 LYUWCORYWLGHMV-GOSISDBHSA-N 426.517 4.007 10 20 IICD COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)n1 794441613 UITVAHSDPSBRHS-UHFFFAOYSA-N 439.821 4.215 10 20 IICD Cn1nc(Br)cc1/C=C1/SC(=S)N(CCCCC(F)(F)F)C1=O 794861074 DRIYWUJNJOPLNY-RMKNXTFCSA-N 428.299 4.116 10 20 IICD CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 795368449 USGUDQRTDSOOKR-YAQMXYOYSA-N 446.657 4.170 10 20 IICD C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 806494690 UYFDSDPBJCNKMU-AJTFRIOCSA-N 448.611 4.042 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(-c2ccccc2)cc1F 807387123 ACQBFYHCIMPFNI-UHFFFAOYSA-N 443.272 4.216 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)ccc21 807792411 KEJLOMAEIZWJPW-OAQYLSRUSA-N 434.458 4.387 10 20 IICD Cc1cc(O)nc2cc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc12 809727441 JCFXDNWLSDALJS-SFHVURJKSA-N 425.916 4.002 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc(Cl)c(Br)c1 813401520 DFWQAKMCDFQTDU-UHFFFAOYSA-N 428.677 4.460 10 20 IICD CSCCCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S 814266848 DKTDCNMBFWWMMS-MLPAPPSSSA-N 432.386 4.132 10 20 IICD CC1(C)NC(=O)N(CCCSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)C1=O 814773350 HVOVHPQJJFUDBK-XNTDXEJSSA-N 445.591 4.325 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)sc2n1 815180808 CZFDNMLCJWKFBY-CZUORRHYSA-N 427.501 4.153 10 20 IICD COC(=O)[C@H](c1cccc(OC)c1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 864011712 ABRYBEYVXHXEBV-QFIPXVFZSA-N 440.540 4.387 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)Cc3ccc4ccccc4c3)CC2)cc1 916196378 DAEHYPPNKOMTDJ-UHFFFAOYSA-N 446.595 4.202 10 20 IICD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)CCC1 1818867537 FXCFBLRWERXGNN-LBPRGKRZSA-N 449.960 4.014 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1 97494630 VGLRPILNLWZHRN-IBGZPJMESA-N 442.629 4.418 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H](C)NC(=O)C2CCCC2)cc1 303544374 VCFDIVVTYXSTPA-LJQANCHMSA-N 437.584 4.379 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2C)s1 727248624 ACOHACFEAJROOC-UHFFFAOYSA-N 435.596 4.234 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C(C)=O)cs3)c2C)cc1 730357958 JURLMLYJRUXLAB-UHFFFAOYSA-N 439.489 4.185 10 20 IICD COc1ccccc1[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1noc(C)n1 733800389 OSJVNRVDOIRTMZ-JOCHJYFZSA-N 437.500 4.164 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 734405904 MYNPZBWHCISKEU-UHFFFAOYSA-N 429.564 4.383 10 20 IICD C[C@@H](OC(=O)[C@@H](C)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 738782293 UONMCQNDIACUMT-UONOGXRCSA-N 433.485 4.197 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1F 740915020 KXEDTJYASIZKCY-APWZRJJASA-N 436.572 4.117 10 20 IICD CN(c1ccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1)C1CCCCC1 742416756 MPRVLXHRGCGMFB-UHFFFAOYSA-N 435.568 4.278 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccccc2F)NC(=O)OC(C)(C)C)cc1 742753041 ILHHMXHKUBLHJD-FFXXTYGZSA-N 427.520 4.287 10 20 IICD COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1 743278326 MSLFIBVGHQADHX-UHFFFAOYSA-N 444.579 4.230 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 748993518 AGTHZZWEZOXKGD-UHFFFAOYSA-N 434.496 4.032 10 20 IICD O=Cc1ccc(OCc2occc2C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 752151635 JUXVKVLZKXHXAR-OAQYLSRUSA-N 435.476 4.198 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(O[C@@H](C)c4ccccc4)nc3)CC2)cc1F 753741102 CEUHKUXZGFKFLK-SFHVURJKSA-N 435.499 4.332 10 20 IICD C[C@@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1nccs1 754737898 ONYPOZJGOKSVOK-GVIGZQTCSA-N 437.637 4.106 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cncc(-c4ccc(Cl)cc4)c3)cc2)C1 757621291 CFXCNWQPMRVVMS-IBGZPJMESA-N 448.954 4.034 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc2[nH]c(-c3cccs3)nc12 758800694 YYSBLXOALIQIQZ-UHFFFAOYSA-N 432.549 4.400 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc([C@@H](C)CNC(=O)c4ccccc4)no3)ccc21 762278881 QYBSOKDMSOAIDZ-INIZCTEOSA-N 432.524 4.488 10 20 IICD C[C@@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)c(F)c1 765333525 VIKQVEQHVPWXNO-ZBFHGGJFSA-N 443.346 4.060 10 20 IICD O=C(NCc1cccc(Br)c1O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 765735944 JFCVSPIEUFJFPH-CQSZACIVSA-N 446.370 4.297 10 20 IICD Cc1cc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1 767211211 BBQGGUNOBZAGHX-UHFFFAOYSA-N 446.912 4.102 10 20 IICD COc1cc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCCO 768852431 QDIVGLXLDQAONS-MRXNPFEDSA-N 426.488 4.104 10 20 IICD COc1cc(Br)cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1O 769541908 WPINEWFWBSLUNP-GOSISDBHSA-N 432.314 4.492 10 20 IICD O[C@@H](CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 769542954 DUTRVZHJHCWRDQ-QHCPKHFHSA-N 426.557 4.460 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1c1ccccc1 769636874 MDTGWNTYRPIDGJ-SFHVURJKSA-N 428.535 4.232 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1Cc1ccccc1 769638153 ZXCVDZMSTSQVLJ-SFHVURJKSA-N 442.562 4.102 10 20 IICD c1ccc(-c2nnn(CCc3ccc(NCc4ccc(N5CCOCC5)cc4)cc3)n2)cc1 770552190 GBPDLVCUMMAONX-UHFFFAOYSA-N 440.551 4.032 10 20 IICD C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 772379834 XWPFLYNHCYEQEN-HXUWFJFHSA-N 427.552 4.031 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 772428672 MOZICXLTJVKSTQ-UHFFFAOYSA-N 429.471 4.031 10 20 IICD CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc21 774109699 YFXRRLQWGBWBIE-SFHVURJKSA-N 436.556 4.095 10 20 IICD C[C@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(N(C)C)cc1 775412555 YNLHJGJBRMZSIH-RBZFPXEDSA-N 437.487 4.380 10 20 IICD Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(O)c1O 780934337 JJDVOBVFYPPEMC-UHFFFAOYSA-N 435.455 4.388 10 20 IICD COC(=O)Nc1ccc(CNC(=O)CN(C)c2ccc(OCc3ccccc3)cc2)cc1 781960129 DTXDDZRVOGOJOU-UHFFFAOYSA-N 433.508 4.197 10 20 IICD COC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1C 783482874 LWXLDKMDEYOYSS-QGZVFWFLSA-N 431.492 4.097 10 20 IICD COc1cc(N2CCN(C(=O)C[C@H](C)c3c[nH]c4ccccc34)CC2)cc(OC)c1OC 784797200 GTABPXAKMJXULU-KRWDZBQOSA-N 437.540 4.036 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 785192405 LPCYYILPYZBKSR-UHFFFAOYSA-N 446.128 4.449 10 20 IICD Cc1cc(C(=O)CN(C)Cc2ncnn2CC(F)F)c(C)n1-c1ccc(F)c(Cl)c1 786217266 RKUJEFQUTZPLFI-UHFFFAOYSA-N 439.869 4.058 10 20 IICD COc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 786771980 ZPXKTQGZIDCOJH-SJORKVTESA-N 443.975 4.079 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 788466694 RQKYJCZOOLOYFY-XMMPIXPASA-N 431.584 4.328 10 20 IICD CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 789726062 KQXUXXUDXDWEJJ-QHCPKHFHSA-N 445.523 4.467 10 20 IICD CCOC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(F)cc1C 793037647 ZRJMVFSHFHVSPW-UHFFFAOYSA-N 441.503 4.197 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc([S@](C)=O)cc3)cc2Cl)C1 799994480 BFOYSGTVGPDTDI-BCOMRZATSA-N 434.005 4.313 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@@]4(CCCOC4)C3)cc2Cl)C1 799994832 GOSATDZYFJYOII-PNCHPQGNSA-N 435.996 4.056 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2Cl)C1 800048475 CKFUAERFJIAKQJ-CQSZACIVSA-N 441.881 4.073 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)cc2Cl)C1 800050538 XJSWSGIKILYEIB-HKUYNNGSSA-N 434.024 4.477 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800719877 ORVPENAIZPTWAI-VFNWGFHPSA-N 445.995 4.199 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 801548484 HRVJYHUQDHMXTF-LJQANCHMSA-N 443.931 4.080 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 801620915 KJDMEAUNCIRCOK-UHFFFAOYSA-N 438.572 4.004 10 20 IICD CSCC[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc2ccccn12 806680018 PQRAGVCULASDAA-SFHVURJKSA-N 440.573 4.212 10 20 IICD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807511982 HHBUMGWRUPVUQF-UHFFFAOYSA-N 444.318 4.248 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 808013416 BKKGLRSUMWIRMQ-UHFFFAOYSA-N 432.954 4.230 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(C(F)F)cc1 815018830 CLYOJJHSYARPBW-UHFFFAOYSA-N 434.302 4.444 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc2c(cn1)CCC2 818991750 DUWYNPYNICEGQT-LFIBNONCSA-N 429.592 4.252 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)sc2n1 834169383 YEGRSARBELDMDO-TWLOVUBOSA-N 427.570 4.126 10 20 IICD Cc1cc(CCNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c(C)n1-c1ccccc1 914466537 GZQCLEAWRZWXEK-UHFFFAOYSA-N 445.563 4.497 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1C 915220345 ZGTOAOAFLPXDPB-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 916673007 WPZNVLARCLOTLU-UHFFFAOYSA-N 439.585 4.301 10 20 IICD C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916835163 GHHYELWFLUJCFF-HNNXBMFYSA-N 439.453 4.188 10 20 IICD O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293654 BLFCOKKJEYBMFA-UHFFFAOYSA-N 447.535 4.139 10 20 IICD Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2F)c(C)n1-c1ccc(Br)cc1 918587185 KOXCNXKQGLVVPC-UHFFFAOYSA-N 430.277 4.347 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccc2c2cccnc12 919969515 OMFWCLVDJZZLMG-UHFFFAOYSA-N 429.495 4.418 10 20 IICD COc1cccc(CNC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1O 1263757890 ITSIQLXZQWHHID-UHFFFAOYSA-N 435.855 4.060 10 20 IICD CCc1ncsc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398860 MAPQHCUFQXMTRN-UHFFFAOYSA-N 448.592 4.244 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(C[S@@](C)=O)c2)c(C)n1-c1cccc(F)c1 10780582 SHCUCAZJXSCUKE-PMERELPUSA-N 427.497 4.151 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 60349180 SUCCVAGUZANFMN-UHFFFAOYSA-N 442.512 4.385 10 20 IICD COc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccccc4C)c3C)n[nH]2)c(OC)c1 72057778 BFMFMWPIUTXZAF-UHFFFAOYSA-N 431.496 4.457 10 20 IICD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 303029922 NUNQSAIWLIRFKG-QGZVFWFLSA-N 446.389 4.235 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(-n4nnnc4C4CC4)c3)ccc21 460486738 HJUQAXYBYNEOIC-UHFFFAOYSA-N 448.502 4.149 10 20 IICD Cc1c(CNC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n(C)c2ccccc12 472284661 MKRBPWGEMOMMMN-NRFANRHFSA-N 429.467 4.371 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)n(C)c2ccccc12 472779547 TUGXSWRVQKPALK-UHFFFAOYSA-N 429.467 4.197 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 728836846 FUWVOXXLLYABAN-UHFFFAOYSA-N 447.417 4.051 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3ccccc3Br)cc2F)C[C@@H](C)O1 729176370 PCNPYTSVUCJSMW-GASCZTMLSA-N 435.337 4.061 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(Br)cc3)cc2F)CC1 730133485 VNMNMNUIXRGOEN-UHFFFAOYSA-N 435.341 4.052 10 20 IICD CCC[C@@H](NC(=O)N(CCC)Cc1ccccc1O)C(=O)N1CCc2sccc2C1 731282190 IFPHYXBZYDPEEB-LJQANCHMSA-N 429.586 4.129 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccc(Br)cc1 732151875 RBBZMCWXPZHFRL-LJQANCHMSA-N 444.373 4.084 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccccn4)cc3)cc2)CC1 733852890 IDVJQPVXCRLEOE-UHFFFAOYSA-N 444.535 4.365 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(Br)cc1 734145058 JGJZLIGEHCVQCF-SJLPKXTDSA-N 446.389 4.233 10 20 IICD CC(C)OCCCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 740788438 ZQNBIBLSSQUUDY-SSZFMOIBSA-N 426.629 4.003 10 20 IICD CCOc1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1OCC(=O)OC 740800764 FGDGHHXJGAQPDH-UHFFFAOYSA-N 426.513 4.270 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 740813106 SOEWWPNFWATJBR-UHFFFAOYSA-N 437.370 4.336 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cc1 742755942 ZVDZICYNEUXJBX-OAQYLSRUSA-N 437.540 4.424 10 20 IICD CN(c1ccc(CNC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1)C1CCCCC1 743341078 FNWUASVEESPWOW-UHFFFAOYSA-N 434.584 4.347 10 20 IICD COc1ncc(C)cc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 746532594 SEDMMMMVAMZFSA-GDNBJRDFSA-N 433.580 4.080 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 750862131 UFBZEFPFTXGOBJ-KDURUIRLSA-N 444.597 4.111 10 20 IICD Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751059953 BZNVIDAIACMTHV-MRXNPFEDSA-N 442.562 4.193 10 20 IICD Cn1cc(Br)cc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1=O 751557434 ZIWABEMVFQHUID-UHFFFAOYSA-N 434.334 4.220 10 20 IICD CCS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 755362062 MOGNDDKQAALIFJ-UHFFFAOYSA-N 429.546 4.285 10 20 IICD O=S(=O)(Cc1ccc(F)c(Cl)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 755945130 PLTBAZXYJDKSIL-UHFFFAOYSA-N 448.894 4.169 10 20 IICD COc1ccc([C@@H](O)CN[C@@H](C)c2cc(Br)cc(Br)c2O)cc1 756381054 JEWTWIFPZCAKND-QFYYESIMSA-N 445.151 4.310 10 20 IICD C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cc(F)cc(F)c1O 756562693 IJHZVSJLYDTQKU-GFCCVEGCSA-N 427.289 4.132 10 20 IICD O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(O)c1O 758559735 GGKVDHSMBUCVGK-LJQANCHMSA-N 442.811 4.196 10 20 IICD C[C@@H](Cc1ccccc1C(F)(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762314730 FTKYQQPVVNHLMP-LBPRGKRZSA-N 426.822 4.460 10 20 IICD Fc1ccc(-c2noc([C@@H]3CCCN(Cc4ccc(N5CCOCC5)c(F)c4)C3)n2)cc1 769234934 ZBKYOJZUXAHQET-LJQANCHMSA-N 440.494 4.231 10 20 IICD C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 772777828 YAFOWXRVKPKRKY-LLLGYDHXSA-N 431.488 4.272 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cc2)CC1 774923855 NCZOINLPDQSUFZ-QGZVFWFLSA-N 447.501 4.435 10 20 IICD COc1cc(Br)cc(CNc2ccc3c(c2)CCC(=O)N3CC2CC2)c1O 775347504 HBMJJWCCYMSLRW-UHFFFAOYSA-N 431.330 4.465 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 775372475 BWDDUHGXLPWSLY-CABCVRRESA-N 439.537 4.392 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(C)c3F)cc2)cc1 781554358 NHZNVYIRKUYNTL-UHFFFAOYSA-N 434.514 4.044 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn(C)nc1-c1ccccc1 782750261 LWMOPPHTUOHVSQ-UHFFFAOYSA-N 443.345 4.287 10 20 IICD CCOc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC 783391837 AUZAYQZCBPKRAH-UHFFFAOYSA-N 444.547 4.054 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)nn1[C@H](C)C1CC1 783481784 DXHSIETYPIEXFQ-ZWKOTPCHSA-N 431.540 4.478 10 20 IICD C[C@@H](NCCCCn1cc(Br)cn1)c1ccc(N2CCOCC2)cc1Cl 794829603 ULTFVIFUMQUNNS-OAHLLOKOSA-N 441.801 4.267 10 20 IICD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 797109907 RJLPVIJUTUXPOG-LBPRGKRZSA-N 428.872 4.006 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nncn3-c3ccccc3)cc2Cl)C1 799883976 YHRGAHJXWQZPII-QGZVFWFLSA-N 438.963 4.156 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(OCCC(N)=O)cc3)cc2Cl)C1 800538021 OOQSAUWXWFPBDV-MRXNPFEDSA-N 444.963 4.152 10 20 IICD CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCN(CC)CC3)c(F)c2)c2ccccc21 802301361 HPIQOEBFOSREIG-VWNXMTODSA-N 439.575 4.239 10 20 IICD CN(c1ccc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1)C1CCCCC1 806615643 RZSAGXGXORZCNV-NRFANRHFSA-N 427.511 4.444 10 20 IICD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCCCSc1nccs1 806928721 CGTPEKFWZHAVMY-UHFFFAOYSA-N 432.615 4.069 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)c2)CC1 807264641 MUFNJSHVPMYKDU-UHFFFAOYSA-N 427.455 4.068 10 20 IICD CN(C)c1ccc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(C(F)(F)F)c1 808422260 HVWVDQHBPOLUJR-CQSZACIVSA-N 425.417 4.195 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 808528397 ZZUGKCDVUWCUKB-UHFFFAOYSA-N 441.578 4.192 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccccc3OC(F)(F)F)n2)c1 817943101 IMYFQEGUPKQLBY-UHFFFAOYSA-N 445.400 4.418 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C(F)(F)F)nn2C)cc1 857449971 MNTKHJHGQFYOBH-UHFFFAOYSA-N 432.446 4.361 10 20 IICD CC(C)[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)NC(C)(C)C 916443566 ONWQCDYRRTUETL-OAQYLSRUSA-N 441.911 4.212 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917714355 UUVSBPMPBCXNLW-ROUUACIJSA-N 444.595 4.158 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4F)on3)cc2F)C[C@@H](C)O1 918139813 FCZDHRUUOXJHEF-GASCZTMLSA-N 427.451 4.163 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1ccc(F)cc1)c1cccs1 918192205 QKUOALQOQNGARG-JOCHJYFZSA-N 443.519 4.452 10 20 IICD O=C(Nc1ccccc1SC(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294786 XDLSYGFYNHOIPT-UHFFFAOYSA-N 432.448 4.467 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1 918428943 DIRHRRXIGQEUNC-UHFFFAOYSA-N 444.579 4.424 10 20 IICD CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1 919455674 UXHGVIJEQRQELE-MRXNPFEDSA-N 448.922 4.261 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 919653621 PFCPWLSNANQVSD-HSZRJFAPSA-N 432.568 4.332 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919822155 ALZMKSLQMLQLHB-UHFFFAOYSA-N 449.576 4.408 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2cccc(C(=O)N3CCOCC3)c2)cc1 920415037 SAIWNACNXUUUFY-UHFFFAOYSA-N 443.591 4.475 10 20 IICD CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)CC1 1321295838 DKJBPQODHNCRCB-UHFFFAOYSA-N 435.568 4.314 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C(=O)c2c(Br)cccc21 28786485 LVNMOAMVIBDBCD-UHFFFAOYSA-N 442.357 4.058 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4ccc(C(=O)NC5CC5)cc4[N+](=O)[O-])CC3)c2c1 78876582 CUZHVAJUFUDAAS-UHFFFAOYSA-N 432.480 4.271 10 20 IICD Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 108418434 LARLTZYAPCVGDA-OAHLLOKOSA-N 445.972 4.228 10 20 IICD COc1ccc(N2CCCN(C(=O)CCCOc3ccccc3Br)CC2)cc1 108428007 KXFLHMBVQXFZQP-UHFFFAOYSA-N 447.373 4.356 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1F 303396947 ZGEXRACHVNHHDS-UHFFFAOYSA-N 426.536 4.410 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 437024811 KKEWIPQIDBHYAO-UHFFFAOYSA-N 443.956 4.410 10 20 IICD CC[C@@H](C(=O)N1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1)c1ccccc1 471783517 XUDBJHIKSKXFGJ-JOCHJYFZSA-N 446.595 4.471 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 728978335 PFZVSSXTSRFXKR-QWRGUYRKSA-N 428.710 4.461 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 728979636 JTXJTAVAYOEQDP-INIZCTEOSA-N 440.521 4.001 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 729857914 LIMMXEBBGGKOGW-YDIMBITNSA-N 441.547 4.113 10 20 IICD COC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC(F)F)c1 732437895 BHSLROVGICITGK-UHFFFAOYSA-N 433.455 4.337 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 734006089 MHFKWFAEOIKUPB-NRFANRHFSA-N 446.517 4.379 10 20 IICD Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(Br)c1 734145848 OCVNJLDECPTTQW-AEFFLSMTSA-N 446.389 4.233 10 20 IICD O=C(c1cc2ccc(Br)cc2[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 735517371 KKUJIQSQMFSSCH-QGZVFWFLSA-N 429.314 4.457 10 20 IICD CCN(CC)CCOc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 735746273 SIZGUYLWGLXFNR-UHFFFAOYSA-N 440.588 4.206 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc(NC(=O)C(C)C)ccc3Cl)CC2)cc1 741553968 ODYBKYKJWBBYRD-UHFFFAOYSA-N 429.948 4.342 10 20 IICD COc1ccc(N2CCN(CCNC(=O)C[C@H](C)c3ccccc3C(F)(F)F)CC2)cc1 741678859 ZHZKOOBCEJOMCC-SFHVURJKSA-N 449.517 4.146 10 20 IICD CS(=O)(=O)Cc1nc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cs1 741853464 VMNRMHZRZWSYAK-UHFFFAOYSA-N 447.529 4.406 10 20 IICD O=C(NCc1nc2ccccc2s1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743516771 TXAFHKRWJYJJOS-AWEZNQCLSA-N 432.496 4.366 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COCc2nc3ccccc3s2)cc1 743919041 WMJRWAQWMZSLMK-HXUWFJFHSA-N 439.581 4.087 10 20 IICD COc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc(Br)c1OC 749244715 ZVVYWBZCRRUZHM-UHFFFAOYSA-N 444.329 4.199 10 20 IICD C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 751931714 PNTVXVXHEXHEDI-AWEZNQCLSA-N 443.956 4.346 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C 753210779 IHHRZFOBHRZGEH-ZDUSSCGKSA-N 434.334 4.493 10 20 IICD CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 756946571 MYPYBRNRRLUPRG-UHFFFAOYSA-N 442.625 4.498 10 20 IICD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 759022186 HRKFPYQABADOOV-HXUWFJFHSA-N 434.584 4.229 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(N4CCCC4=O)cc3)cc2F)C[C@@H](C)O1 765125419 DQUYTUSFNWXIFY-CEXWTWQISA-N 425.548 4.417 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Br)c1 765255443 QOMQWBMSQWYLJC-RXVVDRJESA-N 430.390 4.392 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 766316828 BTAORDQTXPXPFU-GOTSBHOMSA-N 445.007 4.009 10 20 IICD O=S1(=O)CCN(c2ccc(CNCc3ccc(Oc4cccc(F)c4)cc3)cc2)CC1 767692707 YIDKHYQFCQMNQP-UHFFFAOYSA-N 440.540 4.143 10 20 IICD O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768912614 PUNFPVYYADRQKH-HXUWFJFHSA-N 439.943 4.414 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(OCc3ccccc3OC)CC2)cc1 769713721 PIELFSWLLWRINK-UHFFFAOYSA-N 425.573 4.432 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C3(CCOCc4ccccc4)CC3)cc2F)C[C@H](C)O1 769866556 XDKKPALDQSCTPO-PMACEKPBSA-N 440.559 4.443 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 770631721 TUOJCVZKJMHERR-UHFFFAOYSA-N 442.471 4.057 10 20 IICD CC[C@H](CSC)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 773972055 JCYQSOOYPCIIHI-LKKYZFDUSA-N 428.670 4.330 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cc(F)c(Cl)cc1Cl 774955548 LTGNVTZSMJWONH-ZDUSSCGKSA-N 438.330 4.226 10 20 IICD C[C@H]1CCN(C(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2S1 775258593 GCHCOKRZTLYXOV-OALUTQOASA-N 425.598 4.091 10 20 IICD C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(N(C)C)cc1 775464652 JPJAABZRTFLNDG-OAHLLOKOSA-N 425.558 4.082 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](OC)c3ccccc3Cl)CC2)cc1 779341308 OOLVZFGKZSFSFC-AOMKIAJQSA-N 431.964 4.393 10 20 IICD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C 780347291 MRBZLCBHOLIEQX-CJFMBICVSA-N 445.604 4.002 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 783313859 GEOPWVVMNWIYQS-UHFFFAOYSA-N 432.524 4.316 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 784024854 VYMKKAAQSMMPCD-UHFFFAOYSA-N 431.492 4.022 10 20 IICD C[C@H](NC(=O)Nc1cc(F)cc(F)c1Br)c1ccc(N2CCOCC2)cc1 785868452 JETYKXKEPVGDLE-LBPRGKRZSA-N 440.288 4.447 10 20 IICD Cc1cc(C)c([C@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c(O)c1 788614093 RGPJGYGXINXVBZ-KRWDZBQOSA-N 426.538 4.451 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1 788950047 CNGKGJZVARZKGV-HSZRJFAPSA-N 436.600 4.106 10 20 IICD COCC1(CNCc2ccc(N3CCCCC3)cc2)CCN(C(=O)OC(C)(C)C)CC1 790652782 SSSIRTYHKKACFV-UHFFFAOYSA-N 431.621 4.430 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(CC1CCC1)CC1CC1 792865393 QQBQXGKLIXDFRF-UHFFFAOYSA-N 425.495 4.264 10 20 IICD C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCN4Cc3ccccc3)cn2)CCO1 796262834 BCJIMZJINSYXCP-OAQYLSRUSA-N 428.580 4.159 10 20 IICD COc1cc(Br)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1O 798082890 FQIQKLSQADGYCH-OKILXGFUSA-N 449.345 4.025 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)C3(c4cncc(Br)c4)CC3)ccc21 798396688 DJMHOSBHDWLATM-UHFFFAOYSA-N 447.288 4.290 10 20 IICD CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800049374 JGXVTGOKTHZLCW-IEBWSBKVSA-N 443.053 4.434 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C 800637224 VJOJQQSDTIMTRQ-CVEARBPZSA-N 445.995 4.307 10 20 IICD COc1ccc(N2CCN(c3nnc(-c4ccccc4OC)n3CC(C)C)CC2)cc1F 802678595 UEJBABLWSBAGBH-UHFFFAOYSA-N 439.535 4.084 10 20 IICD C[C@@H](NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)cc1 804989730 QEPHYUBQNJRRSC-MRXNPFEDSA-N 433.499 4.019 10 20 IICD Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 807094232 TZHBDDPUOIWICY-JOCHJYFZSA-N 435.593 4.181 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807270461 WWRNNMLUGCBNRV-QGZVFWFLSA-N 442.537 4.252 10 20 IICD CC1(C)CC[C@H]2C[C@@H](NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c3cccc1c32 807291617 KYUYLZPKEODWCI-WMZHIEFXSA-N 429.564 4.095 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 807839187 YPBLHTZDLJQZDH-UHFFFAOYSA-N 439.173 4.478 10 20 IICD Cc1ncc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3cnc(C)s3)c3ccccc32)s1 809238657 MTOMBSLYFWGUCW-FIFLTTCUSA-N 436.562 4.323 10 20 IICD C[C@H](NC(=O)N(C)CCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 812879971 XZCMIVUNKYPEHW-KRWDZBQOSA-N 446.389 4.231 10 20 IICD O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1N=Nc1ccc(O)cc1 854294104 UWPHEYMFUOXOAS-UHFFFAOYSA-N 446.419 4.462 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3cccc(F)c31)c2[N+](=O)[O-] 874973665 RBBXSKVFLHWODR-UHFFFAOYSA-N 430.391 4.102 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(OC(F)F)c1)c2[N+](=O)[O-] 916064806 AUQXTRVJOLYDHX-UHFFFAOYSA-N 438.342 4.224 10 20 IICD COc1ccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1OC 917627834 IBHHUGLGIHEYCZ-UHFFFAOYSA-N 426.557 4.294 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)nc1-c1cccc(Cl)c1 917850351 CKNWIMFQVZIUHC-UHFFFAOYSA-N 447.969 4.465 10 20 IICD CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 918294353 QHLSEKNHYAYQTG-UHFFFAOYSA-N 449.507 4.137 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1nc2cc(Cl)ccc2s1 920422384 JGVFJYHOMYTNKL-UHFFFAOYSA-N 444.988 4.158 10 20 IICD COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCN(C)CC3)c(F)c2)c1 1317902579 WTRFAOYRGCMSPV-RUZDIDTESA-N 446.526 4.357 10 20 IICD CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 1318827679 GTRKGFZYNDMPQR-UHFFFAOYSA-N 439.556 4.295 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc(NC(=O)C(C)C)ccc3Cl)CC2)cc1 1335134708 PEFJXTZXTXUGLT-UHFFFAOYSA-N 429.948 4.296 10 20 IICD CNS(=O)(=O)Cc1ccc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 237325066 CKCOXKOUHNGXCL-UHFFFAOYSA-N 432.630 4.326 10 20 IICD Fc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1N1CCOCC1 237916994 MAWLHTVLUQVZNF-SFHVURJKSA-N 435.490 4.022 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c(C)n1-c1ccc(C#N)cc1 303164397 HQQZRLUKUQSIOH-UHFFFAOYSA-N 432.568 4.221 10 20 IICD C[C@H](NC(=O)N[C@H]1CCc2c(Br)cccc21)c1ccc(N2CCOCC2)cc1 727843195 UHOOXZIJNLYSNZ-BTYIYWSLSA-N 444.373 4.333 10 20 IICD CCCO[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 731120812 KZPWEIAZKCARFM-LJQANCHMSA-N 425.520 4.248 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1NC(=O)C(C)(C)C 732436445 GWMGSNDUJDHVBQ-UHFFFAOYSA-N 442.535 4.277 10 20 IICD COc1ccc(OC)c(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743015754 NHPPSQJIQIVQAD-CQSZACIVSA-N 437.512 4.261 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCO1 752853049 VXWFFRDPKBSTLR-JOCHJYFZSA-N 434.588 4.469 10 20 IICD CC1(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC(F)(F)CC1 753109788 STCYSRPWOICUFD-UHFFFAOYSA-N 435.437 4.309 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 753556299 ISBMEZXEMFCYCB-IBGZPJMESA-N 435.528 4.445 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 756619945 ZVPHPPHRMHTKGQ-WAIKUNEKSA-N 439.533 4.023 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 758419268 UVTZXNQWDOWZTO-ITRAFESCSA-N 442.562 4.099 10 20 IICD COc1cc(N2CCN(C(=O)CCCc3cc(C)sc3C)CC2)cc(OC)c1OC 759222210 IYOZIWYAKYZSJL-UHFFFAOYSA-N 432.586 4.062 10 20 IICD COc1cc(Cl)cc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O 761198843 VVXRAFKPYKNWNF-SFHVURJKSA-N 444.881 4.236 10 20 IICD Cc1ccc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)cn1 761632544 HHCIXOCUFTWETD-XNTDXEJSSA-N 428.564 4.336 10 20 IICD CC(C)(C)[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 763565059 JTLZGCCTKHTYPC-VQIMIIECSA-N 425.520 4.150 10 20 IICD CCC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)C(=O)N1CCc2sccc2C1 765656911 INXOBRVDRZCIIA-QFIPXVFZSA-N 427.614 4.069 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cnn(C3CCOCC3)c2C)c1C 766995997 VIFWKGIAGYPLMC-UHFFFAOYSA-N 435.524 4.299 10 20 IICD COc1cc(Br)cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1O 769538146 TUQAHZFVFXIAHV-KRWDZBQOSA-N 444.272 4.338 10 20 IICD CC1(C)CC[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 769725752 VXDUNRXWHSDVRJ-IBGZPJMESA-N 439.575 4.441 10 20 IICD C[C@H](NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccc(N(C)C)cc1 773614995 VQYFYWDBPQOOHV-FQEVSTJZSA-N 448.611 4.426 10 20 IICD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 773845455 GUIRUPMTOVRWEF-GOSISDBHSA-N 447.583 4.360 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775395113 RZIQNIXEXXZIDR-ZJOUEHCJSA-N 425.602 4.428 10 20 IICD C[C@H](NCCc1ccc(OCCN2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 775416066 DDMXODSCJSJNFK-NRFANRHFSA-N 441.591 4.030 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 777727756 CDNBQQOICUSABH-UHFFFAOYSA-N 443.507 4.390 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 777939552 DZRCTQACVOSQLZ-YCRPNKLZSA-N 434.367 4.286 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1CCCCS1 784110141 BIUNQIQRXHFKDN-XDPMZMSMSA-N 426.654 4.131 10 20 IICD COC(=O)c1csc(-c2cccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)n1 790503450 UTPRLSCLFDCVGS-OAHLLOKOSA-N 438.553 4.223 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2cccc(Cl)c2)CC1 792835154 KZVDTFDSISRQPR-UHFFFAOYSA-N 431.939 4.405 10 20 IICD CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 796334990 QKDAWJOHIWNYGX-RUZDIDTESA-N 443.591 4.291 10 20 IICD Cc1onc(-c2cccc(Cl)c2)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 796387216 SMYRLOJBGITUPF-UHFFFAOYSA-N 441.915 4.185 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 797616942 CEADLGOHIBLRNI-MRXNPFEDSA-N 425.529 4.255 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 801550234 SQEDDNDOGPIBAT-UHFFFAOYSA-N 430.570 4.009 10 20 IICD O=C(OCCCC(=O)N1CCCCC1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 805337479 RCPOFQRBCLVQSZ-UHFFFAOYSA-N 439.895 4.065 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nccn1C 806349489 FZBOHKHRYOGNFD-QGZVFWFLSA-N 435.311 4.030 10 20 IICD C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1 812435063 ZKYBLRVYTXZBJS-DYESRHJHSA-N 440.519 4.468 10 20 IICD Cc1cc(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 812859579 OPZUQGGJSXOKSE-MRXNPFEDSA-N 430.417 4.245 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2C[C@H]1C 832021241 UZPNFVRSSKPGTH-GFCCVEGCSA-N 445.541 4.356 10 20 IICD COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 917075013 OLJGNQABLHVEKS-DEOSSOPVSA-N 439.600 4.344 10 20 IICD COc1cc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)ccc1OCc1ccncc1 917997601 HSJNUNBUTVTJOR-SFHVURJKSA-N 434.540 4.296 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)cc1Br 918310792 PJNNKMXDUPHHRG-UHFFFAOYSA-N 448.336 4.176 10 20 IICD Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)c(F)c3)SC2=S)cc1 1115862127 HZCLNNLOMQMQBJ-XSFVSMFZSA-N 427.570 4.292 10 20 IICD CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C 1320915210 ATIXOIOAYPWJHW-FQEVSTJZSA-N 426.580 4.125 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 302854712 IHLVXYDEDNIGOJ-UHFFFAOYSA-N 429.520 4.493 10 20 IICD C[C@@H]1CN(C(=O)Cc2occc2C(=O)N2C[C@@H](C)Oc3ccccc32)c2ccccc2O1 498152572 DHRQGUIOCABWHN-IAGOWNOFSA-N 432.476 4.064 10 20 IICD C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2ccccc21 726612722 FOGGKGRJTVILHW-QGZVFWFLSA-N 444.526 4.007 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 729597699 LJMAPNRATNILKU-UHFFFAOYSA-N 432.572 4.407 10 20 IICD C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 730119246 QZDLYFKQMBACCP-INIZCTEOSA-N 433.474 4.371 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1F 731404853 SNBQHVANYCUUAB-GOSISDBHSA-N 436.572 4.070 10 20 IICD CCCN(CC(=O)Nc1ccccc1C)C(=O)CN(Cc1ccccc1O)C1CCCC1 733613958 SBVOJYMBROGQHP-UHFFFAOYSA-N 437.584 4.323 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 733847839 GYTZIQVTEWYEIJ-HZPDHXFCSA-N 434.496 4.170 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)CC2)cc1 734280295 KCFMIGZQMMLPOK-RUZDIDTESA-N 436.600 4.144 10 20 IICD CC(C)n1ncc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc21 735375640 JLRQIVNYZGRPDV-UHFFFAOYSA-N 425.508 4.039 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)c2)CC1 739773029 GGUBXKLDLPBMTK-UHFFFAOYSA-N 430.552 4.391 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(NC(=O)N(C)C)c2)c(C)n1-c1cccc(F)c1 740373198 QXMDWEAEOXXNIB-UHFFFAOYSA-N 437.471 4.366 10 20 IICD Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c2c1C(=O)CC(C)(C)C2 742806303 RHDPJAHEELMOKX-OAHLLOKOSA-N 445.510 4.478 10 20 IICD COc1cccc(O[C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 743670271 MNJMDKCCCMTAAC-MRXNPFEDSA-N 449.498 4.032 10 20 IICD CC[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl 748961233 SXLUIOLBXCMEII-FXAWDEMLSA-N 431.964 4.394 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 751081301 AZPADQUKKHGIMV-IQMFZBJNSA-N 429.511 4.049 10 20 IICD C[C@H](NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(Cl)cc1 751932222 SRIILQRCXPJWGM-UONOGXRCSA-N 443.956 4.392 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ncnc4oc(-c5ccccc5)cc34)cc2)C1 752637178 XTOKAZFZHUPHPP-IBGZPJMESA-N 427.508 4.204 10 20 IICD CNC(=O)CCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 753807405 XWCYLDIIWRMTLA-UHFFFAOYSA-N 428.916 4.085 10 20 IICD C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Br)c(F)cc1O 756364681 KVPAXTDSRJFDQD-MRVPVSSYSA-N 433.203 4.206 10 20 IICD C[C@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Br)cc(F)c1O 756592982 KOESPAKGXFQYSD-VFZGTOFNSA-N 446.700 4.103 10 20 IICD C[C@@H]1CC[C@@H](C)N1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 757796075 PYDRXGMWBHGEEO-OCTNGBJJSA-N 439.400 4.050 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 764803832 DWJRWAMZXLIUIR-GFCCVEGCSA-N 442.716 4.025 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 766494228 ABUDKMMZCDZKDO-UHFFFAOYSA-N 426.479 4.376 10 20 IICD Cc1[nH]ccc(=NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1Cl 766591886 BFKOGVZVVBMQKI-UVTDQMKNSA-N 437.999 4.147 10 20 IICD CCOc1cccc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1O 769242765 LGAYKUJVQGDBCZ-UHFFFAOYSA-N 426.538 4.224 10 20 IICD COC(=O)c1ccc(-c2nc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cs2)cc1 775255440 QLGITJIDLJFUHY-QGZVFWFLSA-N 437.565 4.284 10 20 IICD CC(C)Oc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 779150379 UJAQMWCFAWNSSK-UHFFFAOYSA-N 426.444 4.079 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CC1 780632071 GGMJYFGIOLEMKE-BWKNWUBXSA-N 427.589 4.186 10 20 IICD COCCCOc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783481760 DPJHMNQPOFDOIS-LJQANCHMSA-N 447.535 4.417 10 20 IICD Fc1cc(CNC(=S)Nc2cccc(OC(F)(F)F)c2)ccc1N1CCOCC1 783724577 HYWVMFGSFRPRTF-UHFFFAOYSA-N 429.439 4.048 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 785544024 ONKPXGGUMGDLSW-UHFFFAOYSA-N 428.944 4.421 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCCCO[C@@H]3CCC[C@@H](C)C3)cc2)CC1 786261865 GSNIMVFNTSQUIE-PXDATVDWSA-N 443.632 4.127 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3Cl)C2=O)cn1 790108392 OOUMSOOXBGVZKM-LICLKQGHSA-N 449.985 4.232 10 20 IICD Cc1c([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc2ccccc12 790218692 CGFOAQBEPJOHBH-MRXNPFEDSA-N 425.504 4.402 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 790599441 WQAIWBMNFPDTAA-UHFFFAOYSA-N 432.318 4.055 10 20 IICD CC(C)(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1 791155680 QCHNILWEEUUXEJ-STTHAQSSSA-N 438.640 4.003 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1cccc(Cl)c1 791248909 ALXWTMWQFIWMAJ-UHFFFAOYSA-N 432.948 4.498 10 20 IICD Cc1nnc(COCC(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)s1 803725122 FAHSBYBQHJGSNI-UHFFFAOYSA-N 441.553 4.320 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)cc2Cl)C1 807209902 SJZSAHIKSWFENA-DJIMGWMZSA-N 447.929 4.279 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(C(F)F)c1Cl 807386896 OVFWUWOCSRZDML-UHFFFAOYSA-N 433.636 4.001 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Oc2cccnc2)cc1 808896992 UHYPKFZAEKNASX-UHFFFAOYSA-N 432.524 4.404 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc(OC)c1C 815582874 RJCVICPWJBREHQ-UHFFFAOYSA-N 426.513 4.018 10 20 IICD CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)C)c1 914903280 IEFNYFUSDUMLRO-HSZRJFAPSA-N 448.523 4.268 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)cc1[N+](=O)[O-] 915219351 JDXIQCVBCBEKGW-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 915779109 XAZDYGWTLAMBAY-UHFFFAOYSA-N 448.611 4.306 10 20 IICD O=C1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc2N1 917846541 SVEZIXAIHSDQIV-UHFFFAOYSA-N 435.477 4.164 10 20 IICD Cc1ccc(Br)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293997 AMZAVEXMNNPARQ-UHFFFAOYSA-N 443.297 4.224 10 20 IICD Cc1cc(-c2nnc(-c3nc4ncc(Br)cn4n3)o2)c(C)n1-c1ccccc1 1322722073 VEQMKXOLTMGTQJ-UHFFFAOYSA-N 436.273 4.011 10 20 IICD CC1=C(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)CCO1 1790775768 NWHQVHWQWQTZCL-UHFFFAOYSA-N 442.899 4.193 10 20 IICD CNC(=O)c1cccc(OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 71895771 BERUMCSJIDOVDK-UHFFFAOYSA-N 428.435 4.317 10 20 IICD Cc1cc(-c2csc(NC(=O)C[C@H]3CCS(=O)(=O)C3)n2)c(C)n1-c1ccc(F)cc1 115205555 OBPLNTDWQAAZRI-OAHLLOKOSA-N 447.557 4.120 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N(C)C)c(F)c3)s2)cc1OC 116150950 TUMXOCNWOICXGZ-UHFFFAOYSA-N 429.517 4.271 10 20 IICD COc1cc2nc(CN(Cc3ccccc3O)[C@@H](C)c3ccccc3)[nH]c(=O)c2cc1OC 216483452 YDEQWHJUBAEEFA-KRWDZBQOSA-N 445.519 4.409 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1Oc1ccncc1 472773682 FYXSPISDVIGUSV-UHFFFAOYSA-N 428.492 4.237 10 20 IICD CCN(C[C@@H]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1)CC(F)(F)F 477239950 LOLBGAWFOIKTPG-SFHVURJKSA-N 439.522 4.251 10 20 IICD Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 725736068 PZSVOBRJJXNTSH-PKOBYXMFSA-N 426.561 4.255 10 20 IICD CC(C)(C)OC(=O)N1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 726096836 YGSHIXSSUIYNAC-UHFFFAOYSA-N 429.517 4.097 10 20 IICD CCOCCOCc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726694724 IQKNJUINAFYXCV-UHFFFAOYSA-N 427.545 4.039 10 20 IICD COc1c(F)cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 726697146 HWGLZHHJHPLGIR-UHFFFAOYSA-N 427.398 4.365 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 727384022 LRVROSDGFUGISP-YLJYHZDGSA-N 426.561 4.397 10 20 IICD COc1ccc(N2CCCN(Cn3nc(C)n(CCc4cccs4)c3=S)CC2)cc1 727818813 IOSDNNVERCCWJQ-UHFFFAOYSA-N 443.642 4.205 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc4nc(C)sc4c3)cc2F)CC1 730133515 WVRIINLRMAFRSW-UHFFFAOYSA-N 427.549 4.207 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 734518443 XOMMNZIOMXFLNB-UHFFFAOYSA-N 435.553 4.391 10 20 IICD Cc1ccc([C@@H]2CSCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 734942821 RIZHNNTYHUGUQS-QHCPKHFHSA-N 443.588 4.095 10 20 IICD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)C2)cc1 735927158 NWUJJIVEUWNPMZ-JOCHJYFZSA-N 432.520 4.375 10 20 IICD CCOC(=O)c1cc(C)sc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O 736618324 BMBMFSHGQCZONM-UHFFFAOYSA-N 428.510 4.173 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 741099547 DZNQWKDXOLSALQ-UHFFFAOYSA-N 441.531 4.205 10 20 IICD COCCn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 742802405 XXQAONUSSHLDSW-KRWDZBQOSA-N 443.494 4.288 10 20 IICD O=C(Nc1ccc(N2CCCCC2)nc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743098419 RBULLJKIOBMWGV-GOSISDBHSA-N 445.514 4.464 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 743186203 OVCGVZUVEAZDEE-UHFFFAOYSA-N 434.334 4.219 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(COc2cccc(F)c2)c1 743958105 LHTUUVITBUWPRK-UHFFFAOYSA-N 448.494 4.244 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccsc1)N(C)C 745494272 QOPJEYGGBLPORJ-INIZCTEOSA-N 426.380 4.051 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)ccc1C 745994995 ZGASKQVUCKHEKR-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](CC)c1ccccc1 746145931 WMFGWDUVDHXZSF-HSZRJFAPSA-N 427.564 4.142 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 747536848 HHMDRAOMMSTKNN-HSALFYBXSA-N 438.572 4.020 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCc1ccc(Cl)cc1)c2[N+](=O)[O-] 749526872 WHIBPRDHCVFJIC-UHFFFAOYSA-N 448.862 4.386 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(CN2CCCCC2=O)cc1 751302301 NFTZSYUTZIIHNT-UHFFFAOYSA-N 425.492 4.161 10 20 IICD CN(C)C(=O)Sc1cccc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)c1 751931154 OEAVZFZBBUTFHT-UHFFFAOYSA-N 427.551 4.447 10 20 IICD C[C@H](SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc2ccccc2[nH]1 752151472 IJPZGNOAXQRABO-WMZOPIPTSA-N 425.554 4.271 10 20 IICD O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 753535244 CDUOSEVDUJXXDI-UHFFFAOYSA-N 434.511 4.458 10 20 IICD COc1cc([C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)ccc1OCCO 756457668 JVGOGMVOXYRBML-NEPJUHHUSA-N 428.298 4.085 10 20 IICD COc1ccc(N(C)Cc2csc(N(C(C)=O)c3ccccc3OC)n2)c(OC)c1 756617568 JWBSMPFJUDWHOR-UHFFFAOYSA-N 427.526 4.490 10 20 IICD COc1ccc([C@H](N[C@@H](C)c2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622820 YZMAHBVMVGXBGV-WNSKOXEYSA-N 429.513 4.384 10 20 IICD C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)c(F)cc1O 756802973 MLGWVCMODRUAGL-SNVBAGLBSA-N 442.716 4.057 10 20 IICD CC(C)(C)OC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 759571873 BGSBBUPPVWPWJN-UHFFFAOYSA-N 425.520 4.246 10 20 IICD Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ccc(N(C)C)c(F)c2)CC1 760864688 WPWXGPIEYGTOPW-UHFFFAOYSA-N 448.380 4.357 10 20 IICD CCc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N3CCSCC3)cc1)CCC2 764353575 HSOSLSPBLOWQCP-IBGZPJMESA-N 430.643 4.478 10 20 IICD COc1ccc(OCc2nc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)cs2)cc1 764417118 LAHXGVDPAHGMQK-PXNMLYILSA-N 445.547 4.120 10 20 IICD O=C(NCc1ccc(OCc2ccccn2)cc1)NCc1cccc(Br)c1O 764765504 URBAYBIGFUNPJY-UHFFFAOYSA-N 442.313 4.128 10 20 IICD O=C(CSc1nc2ccccc2nc1N1CCCC1)NCc1ccc(N2CCCC2)cc1 764842193 YYJKWAKTPXQKHB-UHFFFAOYSA-N 447.608 4.239 10 20 IICD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 768754346 NXSOLDUETCQMDK-UHFFFAOYSA-N 448.483 4.174 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(Cl)cc3Br)SC2=S)CC1 769793307 KDPGMJKMDUKZTF-RIYZIHGNSA-N 431.808 4.398 10 20 IICD CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1 771102921 GRGUENXOSZDSAV-UHFFFAOYSA-N 438.959 4.197 10 20 IICD C[C@@H](N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1ccc(N(C)C)cc1 774481844 IFBUTBHUVRKYDO-IQGLISFBSA-N 431.536 4.190 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)cc1 775565663 OEUOAAQMTVFDRT-QWHCGFSZSA-N 430.339 4.115 10 20 IICD COc1ccc(O)c(CN2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)c1 775695575 NIPDDZIHTLWNAS-SFHVURJKSA-N 444.329 4.474 10 20 IICD CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(Br)cc(C)c2O)c1 775759127 WNFVVJXEBVCCCI-AWEZNQCLSA-N 441.391 4.293 10 20 IICD O=C(NCCc1ccc(OCC(F)(F)F)nc1)N(Cc1ccco1)Cc1ccccc1O 776242975 BJDUZEXDNVYECF-UHFFFAOYSA-N 449.429 4.276 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1O 779044694 BRAOGNNEAINZOI-LIRRHRJNSA-N 432.362 4.086 10 20 IICD O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 779512474 BVXCCFARGXBYDI-ZRDIBKRKSA-N 429.476 4.340 10 20 IICD COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 780883413 RNCDDMNZEUYNKA-HUUCEWRRSA-N 442.512 4.079 10 20 IICD O=C(COC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(O)c(O)c1 783048567 XAWDJCPVALQIFK-UHFFFAOYSA-N 444.237 4.087 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(-c3cccc(OC)c3OC)n2)cc1 784568439 XQDKUELVSBPHCW-UHFFFAOYSA-N 428.510 4.016 10 20 IICD CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 785326652 BPWQXFPTDPMQRS-LJQANCHMSA-N 448.483 4.147 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3nc(C(F)(F)F)cs3)CC2)cc1 787421625 UVNYAMPWLRYTLU-ZDUSSCGKSA-N 428.480 4.153 10 20 IICD COCCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC[C@@H](C)C1 790283842 LDIFZKISKHDMJN-VQIMIIECSA-N 425.520 4.103 10 20 IICD CCN(CC)c1ccc(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1 794798354 VRNIZGDVGFPWMS-ZDUSSCGKSA-N 430.401 4.338 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)cc2)CC1 799923218 FFNLDHBMCQMJBZ-NRFANRHFSA-N 436.600 4.284 10 20 IICD COCCN(Cc1ccccn1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800719600 LUIYZDGJLXNXMW-GOSISDBHSA-N 430.980 4.330 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(Cc2cscn2)CC1 801913450 VNGKIRPWSCVERA-UHFFFAOYSA-N 447.612 4.151 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OC(C)C)CC1 802529750 LPOQUIXCYSKRNO-UHFFFAOYSA-N 437.588 4.393 10 20 IICD CN(c1ccc(CNC(=O)C(=O)NCc2nc(C(C)(C)C)cs2)cc1)C1CCCCC1 803678041 WYNYCEAUQYOHGN-UHFFFAOYSA-N 442.629 4.142 10 20 IICD COc1ccc(F)cc1/C=C1\SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O 812219701 MKHDRDHXHIEXCM-UNOMPAQXSA-N 431.510 4.049 10 20 IICD C[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@@H](C)C2)C(N)=O 838629895 YWOFPSKISCVVDK-HSRUAUFCSA-N 442.563 4.027 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc([N+](=O)[O-])c1 914037347 KNCPEKBCVILMLA-PTNGSMBKSA-N 433.536 4.276 10 20 IICD COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)o2)cc1 914480234 IKNUXJWTBXKAMN-UHFFFAOYSA-N 438.553 4.095 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ccc(N2CCCC2)cc1 917063021 SBCIGTHSOQWQFB-UHFFFAOYSA-N 429.420 4.101 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 917490997 VSHGNXNLAQDPOS-UHFFFAOYSA-N 440.547 4.103 10 20 IICD Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)c(C)c1 917607541 ONCXVCSUNOEJNQ-AQTBWJFISA-N 436.537 4.464 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OCc4cccnc4)cc3)cc2F)C[C@@H](C)O1 917715731 UDWPKAKBNCWKEQ-RTBURBONSA-N 449.526 4.343 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccc(Cl)nc1 917726550 LWODKGSHWSOXCO-ZROIWOOFSA-N 437.999 4.094 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cccc(OCC(F)(F)F)c3)CC2)cc1 918008344 JQSUBXLLPHOYEP-UHFFFAOYSA-N 437.462 4.058 10 20 IICD COc1ccc(Br)c(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 918230942 VUJZXNVMFOYRFB-SFHVURJKSA-N 449.345 4.054 10 20 IICD CCOc1c(Cl)cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 918235849 WZPUXAAGQCROQV-SFHVURJKSA-N 448.947 4.344 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CC2)cc1 920021126 WCXQUYNCSBTXNH-UHFFFAOYSA-N 433.986 4.425 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 1255148907 QOJQXFGAWVJTJH-NRFANRHFSA-N 448.519 4.044 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCc1cccnc1 1318363355 CRGQVEVROJCRCE-GHRIWEEISA-N 432.592 4.301 10 20 IICD Cc1cc(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 97569865 TZFGYWIIKNNJSL-OAHLLOKOSA-N 445.972 4.228 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1O 216484684 JCHRCLCWTZNKEM-LJQANCHMSA-N 443.547 4.486 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)ccc21 540540716 ASCWETIAAWDTON-FYYLOGMGSA-N 428.479 4.443 10 20 IICD CN(CCCNC(=S)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 726442342 ZDBPHHKZWQPFHS-UHFFFAOYSA-N 436.375 4.033 10 20 IICD Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 728133227 ALXNIWWSUXPJIL-UHFFFAOYSA-N 435.499 4.034 10 20 IICD CC(C)(Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 728750088 SNZNMUHYPVXREM-UHFFFAOYSA-N 433.955 4.261 10 20 IICD COc1c([N+](=O)[O-])cc(NCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])c1Br 734482059 JNVNEDDUPBFIHA-UHFFFAOYSA-N 439.266 4.261 10 20 IICD C[C@@H](NC(=O)c1csc(Cc2ccccc2F)n1)c1ccc(N2CCOCC2)cc1 735435443 VRRVWTQPFDUJEO-MRXNPFEDSA-N 425.529 4.201 10 20 IICD O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c1 735621286 FQLSZAALCSZPKX-UHFFFAOYSA-N 433.780 4.071 10 20 IICD C[C@@H](c1ccncc1)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 743722950 DKBIDMDTOJIHPR-DLRWLJPMSA-N 431.608 4.344 10 20 IICD CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1cc(Br)ccc1O 744426697 USVGSYCFJYJMMQ-UHFFFAOYSA-N 436.306 4.222 10 20 IICD Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 744474082 PEIFMGHCDJWGNK-MRXNPFEDSA-N 427.456 4.263 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cn(Cc3cccs3)nn2)c1C 745562023 ZNZXMZMGLWYCIG-UHFFFAOYSA-N 434.521 4.144 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 747327940 IDDUUDKWNZZNLI-QHCPKHFHSA-N 431.502 4.358 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C2CC2)cc1 747632235 SQOXKUGLZZNUJO-UHFFFAOYSA-N 426.582 4.274 10 20 IICD CC(C)[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 751608627 ZZKRSBSZUQIMJD-OPYAIIAOSA-N 428.552 4.073 10 20 IICD CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752028050 AYHKKOZOAHSYED-UZLBHIALSA-N 425.520 4.007 10 20 IICD O=C(Nc1cnn(-c2ccccc2F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 755838425 UVSLQSUEDLSETO-UHFFFAOYSA-N 445.445 4.403 10 20 IICD O=C(CSc1nc2ccccc2nc1N1CCCC1)NCCCSc1nccs1 765523902 CIOZWIVHAFKLAH-UHFFFAOYSA-N 445.639 4.077 10 20 IICD O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 768251616 RMNHREXVWZRTAD-UHFFFAOYSA-N 440.519 4.072 10 20 IICD O=C(NC1CC1)c1ccc(CN(Cc2ccc(N3CCOCC3)cc2)Cc2ccco2)cc1 768423721 UEBOSLIAWCCWON-UHFFFAOYSA-N 445.563 4.211 10 20 IICD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 771067677 VGCNZDVZPBOTHF-KRWDZBQOSA-N 436.339 4.052 10 20 IICD Cc1nc2ccccc2c(=O)n1CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 774089557 NETHNBMELLAFII-GOSISDBHSA-N 427.504 4.201 10 20 IICD Cc1noc2ncc(S(=O)(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)cc12 776744659 ZIXAUCSGVZFGGL-UHFFFAOYSA-N 438.490 4.314 10 20 IICD CC(=O)N1CC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc2C1 779049146 STZVHQYQFQQIGT-QHCPKHFHSA-N 429.511 4.340 10 20 IICD CCOc1cc(/C=C\C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1O 780952890 BHPNRNCVUVYSEA-NYDKFZDJSA-N 432.467 4.191 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc(Br)cc(F)c3O)c2)CC1 783300010 YCPDXFGNWSKGFF-CYBMUJFWSA-N 436.325 4.135 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 783313604 WHWNHEFCBMOYRT-UHFFFAOYSA-N 448.523 4.214 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C[C@@H]4CCCO4)CC3)cc2Cl)C1 799994621 SLXLUYPSFNYITM-NQIIRXRSSA-N 449.039 4.019 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 805823424 HHHXYNROHYQNEX-UHFFFAOYSA-N 439.869 4.210 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 806810098 FWZOAGKSBLGFAN-FQEVSTJZSA-N 438.446 4.387 10 20 IICD COC(=O)Nc1cccc(CNCc2cc(Br)cc(Br)c2O)c1 809706432 YPLCDABKWDIUHO-UHFFFAOYSA-N 444.123 4.385 10 20 IICD CC1(C)CCCc2sc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)nc21 810313631 HMUCMJQOWUOCCJ-UHFFFAOYSA-N 428.602 4.287 10 20 IICD O=C(Cc1cc(Cl)cc2c1OCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 857457361 UUXFDSMRCFHYRR-KRWDZBQOSA-N 436.886 4.204 10 20 IICD Cc1cc(CCNC(=O)NCCNC(=O)c2ccccc2Cl)c(C)n1-c1ccccc1 916220941 IIZYPOZFWJOFPE-UHFFFAOYSA-N 438.959 4.019 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cc(Cl)ccc3Cl)cc2F)C[C@@H](C)O1 917152828 XLDRDHRATZNCGX-OKILXGFUSA-N 441.330 4.441 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c1 917644197 VLIRFUXNKLFART-HMMYKYKNSA-N 429.563 4.164 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccccc3Cl)cc2F)C[C@H](C)O1 918223075 XTGNHUTWIXLOGJ-IRXDYDNUSA-N 449.954 4.313 10 20 IICD Cc1cc(CC(=O)N2CCCN(c3nccs3)CC2)c(C)n1-c1ccc(Cl)cc1 920773464 LZIUEXWCZBACLC-UHFFFAOYSA-N 428.989 4.485 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3cc(C(C)(C)C)ccc3C2)c1 1115903943 KOIVMTSEZLYCKI-UHFFFAOYSA-N 436.596 4.283 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2[C@H]3C=CS[C@H]32)cc1 1801324268 OHHXQKCQLZZEGR-VBMBFDHTSA-N 447.604 4.221 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)c(C)n1-c1ccc2c(c1)CCC2 110756877 QFZRHIIYKHGEFY-UHFFFAOYSA-N 444.535 4.013 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OCc4ccccc4)nc3)CC2)cc1 726694982 CYVJTFIZUMCWDA-UHFFFAOYSA-N 432.524 4.460 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 727172222 IYUVUGFJRZDTMD-UHFFFAOYSA-N 435.490 4.319 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(OC)ccc3Cl)n2)cc1 732910900 VVKYHSPSONJVLY-UHFFFAOYSA-N 438.914 4.060 10 20 IICD CCN(CC)c1ccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1F 740003499 ZIFUHEPHJLELIK-UHFFFAOYSA-N 433.593 4.136 10 20 IICD COc1cc(N(C)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 741796003 YJEZBZPMBBAARY-UHFFFAOYSA-N 427.526 4.219 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2C)cc1 744013718 AIFRFXIKXIYCDA-UHFFFAOYSA-N 437.584 4.404 10 20 IICD Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c(C)n1-c1ccc(F)cc1 749274272 HNHFZDSZZOJZIK-DEOSSOPVSA-N 433.527 4.197 10 20 IICD c1ccc(-c2nc(N3CCOCC3)sc2CNCCCSc2nccs2)cc1 752266225 SDYYBHWQSZMDOO-UHFFFAOYSA-N 432.640 4.375 10 20 IICD O=C(Cc1c[nH]c2cccc(Br)c12)NCc1ccc(N2CCSCC2)cc1 753943168 OQMCMCTVQAYJEC-UHFFFAOYSA-N 444.398 4.343 10 20 IICD COc1cccc(C2(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)c1 758697097 SUOIYWJYAIXQMM-UHFFFAOYSA-N 449.473 4.039 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)cc(OC)c1OC 759253626 IFXOZKFEAWBCDZ-HSZRJFAPSA-N 439.556 4.085 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccc(F)cc2F)CCCC1 761168456 XYJGQSUYRJTVQY-UHFFFAOYSA-N 432.486 4.193 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)n1CC(F)(F)F 761979783 IHLDLKPSKHNGBA-KRWDZBQOSA-N 443.897 4.421 10 20 IICD COCCOc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1Cl 765260820 VUVDDWYKCCCQDO-UHFFFAOYSA-N 429.698 4.155 10 20 IICD Cc1ccc(NC(=O)NCc2cccc(Br)c2O)c(OC[C@H]2CCCO2)c1 765261520 YRKTYRJADZJVLG-OAHLLOKOSA-N 435.318 4.343 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1nc2c(s1)CCCC2 766266091 HHOCNAHZVYAMLA-UHFFFAOYSA-N 438.391 4.264 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1Cl 769364998 LZXATPZCYLPWOP-UHFFFAOYSA-N 425.828 4.136 10 20 IICD CCN(CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1)C(=O)OC(C)(C)C 769543641 FHHATRPEFQYGKN-UHFFFAOYSA-N 435.584 4.131 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)cc1 773854049 AJZHXHFUAZLYPZ-LJQANCHMSA-N 431.536 4.456 10 20 IICD Cc1ccc(-n2nc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2C)cc1 776032209 SPBFNOXFPYBEEI-UHFFFAOYSA-N 433.556 4.020 10 20 IICD Cc1cc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c(C)n1-c1ccc(F)cc1 779154140 QQEJBLGJHAMEBH-UHFFFAOYSA-N 428.895 4.360 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Br)c(F)cc3C)CC2)cc1F 789350378 DJBYCWXOYOYGFW-UHFFFAOYSA-N 440.288 4.398 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2F)C[C@H](C)O1 789958366 DCLYYKQIKVIUJQ-RYUDHWBXSA-N 445.844 4.437 10 20 IICD CN(c1ccc(CNC(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1)C1CCCCC1 790547318 QQGYJZFLTNRDMW-IBGZPJMESA-N 425.577 4.405 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2sc(N3CCCC3)nc2s1 792878671 BCSLCOSRHYJOIH-UHFFFAOYSA-N 442.610 4.067 10 20 IICD O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)C(=O)N(Cc1ccccc1O)C1CCCCC1 793622677 AJZWISKIQJNPLI-RPWUZVMVSA-N 436.552 4.090 10 20 IICD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 799938147 BIFUOEXOFWSEQY-CHYHDGRHSA-N 440.053 4.455 10 20 IICD CC(=O)NCC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 805824820 GFGNROCZIDUUIG-IBGZPJMESA-N 447.526 4.116 10 20 IICD Cc1c(C(F)(F)F)nn(C)c1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 806424221 NQGCZACURSJXIO-UHFFFAOYSA-N 447.408 4.139 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCCc3cccs3)cc2Cl)C1 807953787 YETUMQTUPXBYMD-MRXNPFEDSA-N 434.005 4.003 10 20 IICD O=C(NC[C@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1)C(F)(F)F 811785493 GSPRZSFWDAVWOV-GFCCVEGCSA-N 445.279 4.198 10 20 IICD C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C(F)(F)F)c1O 815591493 IYJPYYXVYHPGHQ-HNNXBMFYSA-N 442.503 4.163 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OCCC(=O)OC)cc3)n2)cc1 917845979 HDQYQRBZIZSPHQ-UHFFFAOYSA-N 446.550 4.115 10 20 IICD CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1 918123627 ZOQGVNANDVNWSB-SIKLNZKXSA-N 440.563 4.114 10 20 IICD O=C(Nc1cccc(OC2CCCC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293874 GQSLPSUFMMYNFT-UHFFFAOYSA-N 434.492 4.474 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 918311394 RKLPLZZFICLSKQ-UHFFFAOYSA-N 435.446 4.173 10 20 IICD CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)cc1 918623888 FVYPLPVIFZVZEU-OAQYLSRUSA-N 446.389 4.179 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1Cc2ccccc21 918631501 URVPFIHKMZHDLD-BRFSQIRFSA-N 428.604 4.186 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 920482359 NGWXOGFXHWEQKA-UHFFFAOYSA-N 442.562 4.210 10 20 IICD O=C(NCCOc1ccccc1-c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 921072262 KJOGMNLTWZFYFD-UHFFFAOYSA-N 449.526 4.208 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 475945554 HJUYUAAQYKPZLC-LJQANCHMSA-N 448.350 4.090 10 20 IICD Cc1noc(C2CCN(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)CC2)n1 728914316 QPKXZNAEWBRTGM-UHFFFAOYSA-N 444.482 4.449 10 20 IICD CC(C)(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 729048995 AWGORNJOVWZFNW-QFIPXVFZSA-N 436.600 4.146 10 20 IICD CN(c1ccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CC2)cc1)C1CCCCC1 731342812 AFPWPZSBEOSEHX-UHFFFAOYSA-N 426.582 4.078 10 20 IICD CC(C)Cc1noc(CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n1 731798462 FZONMZGGDHKNAT-JYRVWZFOSA-N 438.372 4.432 10 20 IICD CC(C)C[C@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 732468258 JAZCVXVZIKVNKN-UGKGYDQZSA-N 441.572 4.491 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1C 733149413 ARZNVDNQEKQJAC-HSZRJFAPSA-N 427.508 4.235 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC2CC2)cc1)C1CCCCC1 741095323 AKTOYQJCCSCIIQ-UHFFFAOYSA-N 435.568 4.499 10 20 IICD COc1cccc(CNC(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1O 745780714 MCOZRTWJQYBGMC-UHFFFAOYSA-N 448.445 4.222 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 751085364 VCSYPKLMEQSABF-WOJBJXKFSA-N 431.627 4.099 10 20 IICD C[C@]1(CCc2ccccc2)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 751781223 IHKUISPJZYQQMO-SANMLTNESA-N 439.575 4.341 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2c(F)cccc2Br)cc1 752722176 NTGMMQQMZWWQFM-UHFFFAOYSA-N 436.325 4.032 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1-c1ccccn1 754880093 CBQXHWPMTODTII-QZTJIDSGSA-N 449.526 4.440 10 20 IICD C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(Br)cc(F)c1O 756456158 CCOAHPLPFSMXGH-KPZWWZAWSA-N 437.309 4.262 10 20 IICD COc1ccccc1N1CC[C@H](N[C@H](C)c2cc(Br)cc(Cl)c2O)C1=O 756741533 GIRFLDJYRVZRBQ-ABAIWWIYSA-N 439.737 4.273 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)c(O)c2)cc1 763553701 JVLHMHNAEWMVFP-GOSISDBHSA-N 433.346 4.042 10 20 IICD CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O)O[C@@H](C)C2 765750745 KXHZKWNWADTRKZ-YLQAJVPDSA-N 446.341 4.297 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1F 767871896 JZIJMXBTGSQLFL-UHFFFAOYSA-N 426.496 4.110 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cnc(Cl)c(Br)c3)CC2)cc1 767919838 UTNPWMFYQPWPBU-UHFFFAOYSA-N 439.741 4.250 10 20 IICD CN1CCN(c2ccc(CNC[C@@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)cc2)CC1 771867369 ZJWBUXVUQNNGFH-GBXCKJPGSA-N 430.999 4.014 10 20 IICD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 775003795 ZILZTAPRSLIXSR-UHFFFAOYSA-N 429.392 4.245 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 775259459 UHTYFDISLJYGAR-QFQXNSOFSA-N 432.564 4.281 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)c1ccc([N+](=O)[O-])cc1 776275178 JMVUXQREDUWWCU-GOSISDBHSA-N 427.482 4.075 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1ccc(N(C)C)cc1 782715042 FMDLNZNLIFQLED-ZDUSSCGKSA-N 428.945 4.345 10 20 IICD Nc1c(Cl)ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1Cl 791329459 FHDQWQDHEDNYGI-UHFFFAOYSA-N 448.272 4.361 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cnccn2)c(C)n1-c1cccc(Br)c1 795918879 SRWJRRIEVWPIRE-UHFFFAOYSA-N 442.313 4.005 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 800848553 ZVYFYNSOECFYBC-CALCHBBNSA-N 440.494 4.003 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 801966011 HWSMAIWHBVSZSS-UHFFFAOYSA-N 434.588 4.067 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3c(F)cccc3F)cc2)CC1 805025295 NDVDUUWHGOEHRQ-KRWDZBQOSA-N 429.511 4.037 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)c1ccc(N(C)C)cc1 805308950 INXMLMCANVCQRI-NFBKMPQASA-N 436.600 4.127 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1nc2cc(Cl)ccc2s1 807095095 KGECQHRKRGYPNX-UHFFFAOYSA-N 444.988 4.170 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 807689775 KBRKEPBLLOOGEA-OAQYLSRUSA-N 441.547 4.047 10 20 IICD CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 808527641 JSSFFZVYXQPZSH-UHFFFAOYSA-N 442.609 4.165 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)CC2)cc1 811955223 PTNUSIDDTAWRGO-XMMPIXPASA-N 435.568 4.057 10 20 IICD CC(C)(c1cccc(C(F)(F)F)c1)c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 815720718 MYCPDPOLXYAWGP-UHFFFAOYSA-N 441.431 4.158 10 20 IICD Cc1cc(C(=O)N2CCC(OC(=O)N(C)C)CC2)c(C)n1-c1ccccc1Br 818663494 QFLNXEOSABYZPK-UHFFFAOYSA-N 448.361 4.159 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)CC2)cc1 915339401 PDQNICOGTLHGGQ-UHFFFAOYSA-N 436.537 4.363 10 20 IICD COc1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc(OC)c1OC 915733446 DDFGPBJALILIBR-UHFFFAOYSA-N 448.479 4.383 10 20 IICD Cc1cc(CCNC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c(C)n1-c1ccccc1 916221185 SUDSINJEJXCWGW-UHFFFAOYSA-N 444.579 4.370 10 20 IICD CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220975 OGKMQHSCCFJERP-UHFFFAOYSA-N 439.453 4.147 10 20 IICD Oc1c(F)cc(Br)cc1CN1CCc2c(ncn2CCc2ccccc2)C1 929068318 XAFHWFOLRGJCAD-UHFFFAOYSA-N 430.321 4.291 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1 1116351937 MVRKFMAUFXIANF-UHFFFAOYSA-N 435.524 4.232 10 20 IICD CCOc1ccc(N2CCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 1116386256 LWRMYSOHRKYLTQ-UHFFFAOYSA-N 428.960 4.136 10 20 IICD O=c1c(Cl)c(N2CCN(Cc3c(O)ccc4ccccc34)CC2)cnn1-c1ccccc1 16360004 ZGBSUCBICFKABO-UHFFFAOYSA-N 446.938 4.067 10 20 IICD COCCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 23635524 VEBWZNAPJGTDSO-UHFFFAOYSA-N 449.374 4.070 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)n1C[C@H]1CCCO1 727176846 QLQJHWWOQAQWLE-NPBUNYCVSA-N 435.659 4.073 10 20 IICD Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)c(C)n1-c1ccccn1 727387683 CJSRPOQONNIWBY-UHFFFAOYSA-N 435.915 4.251 10 20 IICD COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cn1 728788426 MSZRPRGKJQEHJM-UHFFFAOYSA-N 437.500 4.193 10 20 IICD CN(C)Cc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 729611458 KXIYASYFLVJPQZ-UHFFFAOYSA-N 446.542 4.160 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3F)cc2)cc1 729665388 SGHIVZMYSGAZHJ-UHFFFAOYSA-N 434.514 4.044 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)cc1F 731403383 JENNHTOJGQDIBS-UHFFFAOYSA-N 432.609 4.445 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CCc3ccc(F)cc3)C3CC3)cc2F)CC1 735189169 XEUZAIJILSMFAK-UHFFFAOYSA-N 442.554 4.023 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(Nc4ccccc4)c3)cc2)C1 735650722 CAYNYVNSQMKNTE-OAQYLSRUSA-N 428.536 4.062 10 20 IICD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc(N2CCSCC2)cc1 741742249 SWNBTCWAFWNIDF-UHFFFAOYSA-N 442.972 4.192 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 742618458 ISMXRVNDCJQTBL-OAHLLOKOSA-N 434.458 4.421 10 20 IICD CC(C)CNC(=O)C1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 742758902 NTKKPSREUDSSGU-UHFFFAOYSA-N 428.621 4.149 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)N(CC)Cc2cc(Br)ccc2O)cc1 743808706 CFTAXFGDEZJBEG-UHFFFAOYSA-N 433.346 4.299 10 20 IICD O=C(CCSc1ccc2c(c1)OCCO2)Nc1c(-c2ccccn2)nc2ccccn12 751303132 UJNWGOZXQRFVHV-UHFFFAOYSA-N 432.505 4.288 10 20 IICD Cc1cc(C)c(NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)c(Cl)c1 751930096 FVXYGMMVJWEEBT-UHFFFAOYSA-N 429.929 4.382 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)CC2)cc1F 753895908 WZPOTIOUCUFGMK-UHFFFAOYSA-N 443.519 4.073 10 20 IICD C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1cc(Br)cc(Cl)c1O 756707871 XJMGDLDVYDSTIY-CQSZACIVSA-N 431.802 4.494 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 759935237 XQSBZLLOKRFHKA-UHFFFAOYSA-N 449.935 4.037 10 20 IICD O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 760354395 XFYPUICDYFPWOZ-RCZVLFRGSA-N 446.482 4.462 10 20 IICD C[C@H](c1noc(-c2ccc(Cl)cc2)n1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762048007 HRSVUAPSPIQUJF-LLVKDONJSA-N 447.278 4.274 10 20 IICD CCOc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(Cl)c1O 762589274 JAEKTDMONIQNDC-LJQANCHMSA-N 432.948 4.332 10 20 IICD CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 765129039 ZJXQASXEJKJKRI-BZSNNMDCSA-N 449.592 4.052 10 20 IICD C[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 765680216 GPOKQMDEJNMHRZ-MGPUTAFESA-N 428.882 4.277 10 20 IICD O=c1c(Br)nn(CN2CCCc3cc(OC(F)F)ccc32)c2ccccc12 766353074 ZAXHGDYFLKXISY-UHFFFAOYSA-N 436.256 4.171 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ncn(-c3ccccc3)n2)cc1 768972236 JEXDLDCEKPVABU-UHFFFAOYSA-N 427.508 4.189 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCSC2(CCOCC2)C1 770666783 WRBASKROQTWOKK-UHFFFAOYSA-N 437.197 4.015 10 20 IICD C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC12CCC2 770755717 GUEWVPXLZLYRIN-INIZCTEOSA-N 425.495 4.264 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(F)cc(C(F)(F)F)c3)SC2=S)cc1 772800179 HIPOIKUNVNRVSH-VGOFMYFVSA-N 426.416 4.349 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC(C)(OC)CC2)sc(C)c1-c1ccccc1 775558933 WRGLTUDKPPPICE-UHFFFAOYSA-N 430.570 4.340 10 20 IICD CC(C)(CNCc1cccc(Cl)c1O)S(=O)(=O)c1ccc(Br)cc1 776174534 DWQNLFZPXNARMM-UHFFFAOYSA-N 432.767 4.150 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 778779977 WKMFCTDAOXOATK-OAQYLSRUSA-N 435.490 4.228 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)c1 780275104 PCYIFWYZYMPDSF-UHFFFAOYSA-N 444.531 4.035 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 781370289 DQVMINVUPYSWGX-VGSWGCGISA-N 425.577 4.251 10 20 IICD COCC[S@@](=O)Cc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782774653 LSKGHYMLSQPGHV-SSEXGKCCSA-N 431.602 4.090 10 20 IICD COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCCS2 783221923 JBAWSRLUSKAYLW-AVRDEDQJSA-N 425.598 4.114 10 20 IICD COc1cc(Br)cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1O 783719263 HSMCBAHTRNQOFL-UHFFFAOYSA-N 429.355 4.043 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)nn1 784109220 SNGIMZGBDXXLKP-UHFFFAOYSA-N 445.523 4.321 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CC23CCOCC3)c(C)n1-c1ccc(OC(F)F)cc1 786460091 WQSHCBAATGVLNY-IBGZPJMESA-N 433.451 4.238 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(Nc4ccccc4)c3)cc2)CC1 787326011 HGHVZSGYVLKQFM-UHFFFAOYSA-N 428.536 4.029 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 788790210 UIGOLYVIUMBCIM-UHFFFAOYSA-N 435.267 4.351 10 20 IICD COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(OC)cc2O)cc1 794379296 OLNWBMXKWBZGHG-UHFFFAOYSA-N 429.476 4.192 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 794852697 QFNUMUXPZXPWSC-UHFFFAOYSA-N 444.583 4.332 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 798337652 CCTBKSDVYDNTMQ-HNNXBMFYSA-N 444.940 4.097 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1F 800636024 DKKCNCIFTMGZOQ-HNNXBMFYSA-N 447.938 4.369 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 802609587 FCXMYEGHZUZIDG-UHFFFAOYSA-N 434.540 4.469 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ncc(Cc2cccc(F)c2)s1 804221012 FYXRSENPYDLTPJ-UHFFFAOYSA-N 431.876 4.201 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(Cl)c(Cl)cc3O)C2=O)c(OC)c1 806170145 PAXITVJVWPXLKT-KPZWWZAWSA-N 439.339 4.168 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(-c4ccccc4)c3)CC2)cc1 806882240 JHCKSEAMLQHUHW-UHFFFAOYSA-N 429.520 4.086 10 20 IICD CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCCCO1 812443222 KFAPHRYEFHWPAU-DENIHFKCSA-N 427.593 4.086 10 20 IICD CC(C)(C)OC(=O)NCCc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 813683984 INKAXWMIJOKWBL-UHFFFAOYSA-N 446.356 4.153 10 20 IICD COc1cccc(OC)c1OC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 916588152 XRCBZJUXRYCNMB-UHFFFAOYSA-N 439.556 4.057 10 20 IICD Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C(=O)N1CCCC1 916680054 CZSWCEBMVCSNRA-FQEVSTJZSA-N 437.540 4.150 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H]3CCCc4ccccc43)cc2F)C[C@@H](C)O1 916986555 JGLQECWDAMEROC-GLDPYIMESA-N 439.575 4.065 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 917393571 RNSMKEUMUBISMA-HOTGVXAUSA-N 430.599 4.474 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Br)ccc3F)cc2F)C[C@H](C)O1 917711219 RGUYHQDFRGUHLY-STQMWFEESA-N 439.300 4.271 10 20 IICD COc1ccc(CCCN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918780713 NBYARJZJGOAAIP-KDURUIRLSA-N 443.563 4.222 10 20 IICD O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N(Cc1ccco1)Cc1ccccc1O 920494587 XFWCAAIAYFSDFR-UHFFFAOYSA-N 436.552 4.237 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920872578 USKSEUTUTBZWBB-OALUTQOASA-N 438.572 4.068 10 20 IICD CCN(CC)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 22571937 JPTDWXWKTIJSCC-OBGWFSINSA-N 429.520 4.210 10 20 IICD CN(C(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)c1ccccc1 97576320 PGWZKOIORUHERI-DEOSSOPVSA-N 444.531 4.490 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 108281970 XWMUMSMNWWBBPN-CHWSQXEVSA-N 425.426 4.092 10 20 IICD Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(N2CCC(O)CC2)c(F)c1 237793992 GLRKKBDHHQQYGY-UHFFFAOYSA-N 444.501 4.157 10 20 IICD Cc1c(CNC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)n(C)c2ccccc12 473264743 ZFKNGDFBWAVUFP-UHFFFAOYSA-N 444.560 4.203 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2ccnc2S)cc1 726566766 DEBPKLJVLRAUAW-UHFFFAOYSA-N 444.507 4.161 10 20 IICD C[C@@H]1CCCC[C@H]1OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612460 ZZUDYGZWSSRJLO-OXQOHEQNSA-N 425.520 4.151 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 727556668 CLHZFKXXFVXIQB-UHFFFAOYSA-N 434.458 4.005 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)c1 728312066 KGYRTLMDGLIUOE-DJKKODMXSA-N 438.509 4.376 10 20 IICD COc1cccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)c1 728407499 YVQXCXUGTIJYSE-NRFANRHFSA-N 443.507 4.444 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 728520820 PUUIZITXLCHICM-UHFFFAOYSA-N 434.540 4.069 10 20 IICD CCN(C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1)S(C)(=O)=O 731347652 KWGXZZMSZBGLLK-UHFFFAOYSA-N 445.629 4.104 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(c2nnc(S)n2C2CC2)CC1 731633723 LUWHRSRRAQPPEU-UHFFFAOYSA-N 427.599 4.391 10 20 IICD COC(=O)COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 732115128 SIPXJPVICIMRON-UHFFFAOYSA-N 448.519 4.160 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 732436146 OWVIFZASINNYDE-MRXNPFEDSA-N 440.521 4.257 10 20 IICD CCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 741080027 VIZLPHWAQFHTMS-ZVLYHFIPSA-N 447.595 4.174 10 20 IICD O=C(Nc1nc(-c2cccs2)cs1)C(=O)N(Cc1ccco1)Cc1ccccc1O 746784536 ZRKYGPXSMSKEGS-UHFFFAOYSA-N 439.518 4.338 10 20 IICD Cc1cc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(Br)c1 748511312 YVAGHERDABBHEI-HXUWFJFHSA-N 447.373 4.267 10 20 IICD O=C(COC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)Nc1ccc(N=Nc2ccccc2)cc1 750134318 FJIWRHCWOOMRHO-SFHVURJKSA-N 434.496 4.232 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1COC(C)(C)CC 755190820 BSXHJYIYFDVUNI-UHFFFAOYSA-N 425.573 4.445 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 757858363 UMKKXWZGIYYFOO-LJQANCHMSA-N 448.914 4.484 10 20 IICD COC(=O)C1(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCSCC1 759897448 XSAYGHBHYUIOKX-UHFFFAOYSA-N 426.542 4.337 10 20 IICD COc1ccc(OCc2nc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)cs2)cc1 764417117 LAHXGVDPAHGMQK-LZYBPNLTSA-N 445.547 4.120 10 20 IICD CCOC(=O)c1n[nH]c(C2CCN(C(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)CC2)n1 769767114 RDEHVJZQRXODFV-UHFFFAOYSA-N 449.555 4.026 10 20 IICD O=C(CSc1nc2ccccc2o1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771058156 LUYNPJFEWGPLBB-MRXNPFEDSA-N 431.945 4.060 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 772064896 QEWHNTYZWQJZMU-UHFFFAOYSA-N 442.523 4.161 10 20 IICD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N(Cc1ccco1)Cc1ccccc1O 772460574 VNYNOBPRVKFXDA-GOSISDBHSA-N 446.569 4.257 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(OCCN3CCOCC3)c2)c1O 779008400 OYOKUCWOQFENBB-KRWDZBQOSA-N 449.389 4.025 10 20 IICD Cc1[nH]ccc(=NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1Br 782861514 XNFGDJDUQYONBO-UHFFFAOYSA-N 443.345 4.468 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 787874228 XZBLSCJJXQGFRK-QHCPKHFHSA-N 437.584 4.205 10 20 IICD CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 788910582 MGMZWOSWUNJPQG-UHFFFAOYSA-N 448.394 4.304 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c(F)c1 795609525 FVYDKIWEWZOZSH-UHFFFAOYSA-N 448.453 4.390 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)cc(F)c1Br 802609443 ASAVUEFNRDSUKU-UHFFFAOYSA-N 441.272 4.200 10 20 IICD COc1cccc(F)c1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 803676806 RHWMTSZBYFYTQW-QGZVFWFLSA-N 441.547 4.097 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)cc2)CC1 805023034 MAMRALDXOLUKDW-GGAORHGYSA-N 437.559 4.131 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c(OC)c1 806170550 WAPHKRUYEFQSSR-SJKOYZFVSA-N 439.339 4.168 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(C(F)(F)F)ccc1F 807511718 CEGXVXFELKEERK-UHFFFAOYSA-N 425.165 4.112 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1 807560704 VUSFMVHGGVHADB-WJOKGBTCSA-N 439.581 4.136 10 20 IICD CCOc1cc(Br)c(F)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 810340677 OYTPGZRTMDBAGU-JTQLQIEISA-N 427.270 4.151 10 20 IICD Cc1cc(C(=O)[C@@H](C)N2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1 812858916 FAYWYZMWSYIMPA-HZPDHXFCSA-N 442.453 4.216 10 20 IICD CN1CCN(c2ccc(CNC3(Cc4ccc(F)cc4Cl)CCOCC3)cc2)CC1 815158732 SHIHBFMZKMUNHR-UHFFFAOYSA-N 431.983 4.112 10 20 IICD CSc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(O)n1 914491839 UPCFNTGAMBOZPW-UHFFFAOYSA-N 440.569 4.033 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 914754706 RRVFBLZBUCALTL-FQEVSTJZSA-N 434.367 4.323 10 20 IICD COc1cccc(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 916071212 QALAYSNKIYNOEU-JXAWBTAJSA-N 446.619 4.097 10 20 IICD Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456686 MNKUAWIWBRRMMO-UHFFFAOYSA-N 445.441 4.435 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 917190804 XCKYUHOLJCVHMH-CALCHBBNSA-N 428.573 4.337 10 20 IICD Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4ccccc4O)c(=O)c23)cc1 917309624 FKENUJWPUSOVLY-UHFFFAOYSA-N 433.533 4.188 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@H]1c1cccnc1 917966439 KZDPJSUAOAAEEQ-XIDKLXSXSA-N 443.619 4.488 10 20 IICD CC(C)(C)c1ccc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)[nH]c2c1 918372812 QCZCOLCKNRBFNG-IBGZPJMESA-N 432.568 4.097 10 20 IICD Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 918565707 JWNHPARYXHTPDI-XMMPIXPASA-N 436.600 4.126 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3OCc3ccncc3)cc2F)C[C@@H](C)O1 918635975 ZWOAJPMNWTYOMG-KDURUIRLSA-N 449.526 4.343 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccoc2)c(C)n1-c1ccc(F)c(Cl)c1 919481111 QABVHFOMVORVKX-ZDUSSCGKSA-N 446.862 4.024 10 20 IICD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(N5CCCC5)cc4)CC3)cc2NC1=O 1116443972 JYVMUHAWIGWDAH-GOSISDBHSA-N 433.552 4.101 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc4cc(Br)ccc4n3)cc2)C1 1318723092 REECGGQJBMQHIX-QGZVFWFLSA-N 439.357 4.311 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3c(C)cc(Cl)cc3C)CC2)cc1 1341112788 UXLJPQDJMJQYEI-UHFFFAOYSA-N 430.980 4.299 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H]2CCOC2)C3)cc1 1800514721 APPHHZVWASXGBB-CEYBMKEASA-N 449.595 4.163 10 20 IICD CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 28333857 OMUVKUGBPROLMC-UHFFFAOYSA-N 435.597 4.399 10 20 IICD O=C1/C(=C\c2ccc(N3CCCC3)cc2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 31644175 UFRLZVZGGBRKJL-QGOAFFKASA-N 433.455 4.448 10 20 IICD Cc1ccc(CNC(=O)c2nnc(CSc3ncc(-c4ccccc4)n3C)s2)cc1 46568937 DVXLZEAEEXUDNY-UHFFFAOYSA-N 435.578 4.469 10 20 IICD COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)cc1F 301593813 ZBWBYTSCSFRPEI-UHFFFAOYSA-N 433.409 4.032 10 20 IICD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 537142564 SBRGZRFNRCBPNP-ABSDTBQOSA-N 434.565 4.329 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)Cc1cc(-c2ccccc2)no1 725819273 KDXMSKNFPOEGEK-UHFFFAOYSA-N 425.554 4.294 10 20 IICD CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C)c(O)c2O)cs1 727003828 HRXFGVCOWUMFRZ-UHFFFAOYSA-N 426.494 4.467 10 20 IICD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 727223329 KVXKJOVEZHCDDP-UHFFFAOYSA-N 449.910 4.203 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)cc1 727593345 MXDKWECWQAHGKF-UHFFFAOYSA-N 440.613 4.352 10 20 IICD O=C(OCc1nccn1CC(F)(F)F)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 728616976 WGBDDDDOBQSTHQ-UHFFFAOYSA-N 448.784 4.231 10 20 IICD CC1(C)CN([C@@H](CNCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)CCO1 728774665 UUOJFFCNMKTPRV-DEOSSOPVSA-N 444.019 4.118 10 20 IICD CN1CCCc2cc(CNC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)ccc21 731758485 GDGLVNPXUWVFPP-DEOSSOPVSA-N 442.563 4.118 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 732470340 ZIOBBHTVOSNLKV-HXUWFJFHSA-N 428.964 4.133 10 20 IICD CCC(CC)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)N[C@H](C)c1ccccc1 733648508 UQOBINZOWUOMSF-OAQYLSRUSA-N 438.616 4.232 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)c(OC(F)F)c3)cc2F)CC1 734212125 ITBMVABXNUSVHK-UHFFFAOYSA-N 436.478 4.199 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccnc4cc(Br)ccc34)cc2)C1 734835215 RUOHQZHKIVBUTE-MRXNPFEDSA-N 439.357 4.311 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1C 743045514 NGGCXROITUGLKS-UHFFFAOYSA-N 428.944 4.421 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)ccc2C)c1 743900183 DVESVJQQNZQHDF-UHFFFAOYSA-N 444.535 4.128 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 743905797 IQGZBZZVAFOENX-MRXNPFEDSA-N 435.480 4.021 10 20 IICD O=C(Nc1cccc2ccccc12)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743974601 AYXUBFRLCCPSSD-QGZVFWFLSA-N 439.462 4.165 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 753292248 OJOLXFHOFNIXQN-SFHVURJKSA-N 427.467 4.482 10 20 IICD COC(=O)COc1ccc(N(C)Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 753592352 WUNXOLBRZCQZFT-UHFFFAOYSA-N 434.492 4.136 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(CCc1cccc(F)c1)C1CCCC1 757183944 DWSFNQDZTYADIX-UHFFFAOYSA-N 425.548 4.359 10 20 IICD CC[C@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(C)cc1 760104158 NXTCUHJGPNBDAA-FQEVSTJZSA-N 427.545 4.004 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)c1 762031145 FRCSPMIUWSLGAZ-UHFFFAOYSA-N 447.476 4.024 10 20 IICD CCc1csc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cn2)n1 762520646 HFNHKHWCMANWLD-UHFFFAOYSA-N 437.491 4.162 10 20 IICD C[C@@H](N[C@@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)cc1Cl 764817720 ZTNFDCMIUKWLQI-ZHRRBRCNSA-N 428.939 4.489 10 20 IICD C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)NCc1cccc(Br)c1O 765533008 FPZFRHOXDIXZEI-IGOJGBNBSA-N 446.389 4.111 10 20 IICD CN(C)c1ccc(-c2cncc(C(=O)NCc3cccc(Br)c3O)c2)cc1 765735036 CNKCLVNLEGXCCF-UHFFFAOYSA-N 426.314 4.213 10 20 IICD Cc1cc(CC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 766243437 NCNPXCBNCGHAJQ-FQEVSTJZSA-N 428.882 4.452 10 20 IICD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 766306239 CZGCGFAOCGFVCM-UHFFFAOYSA-N 444.900 4.420 10 20 IICD C[C@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccncc1 769148191 YBJGZYCUKWVRSM-UTKZUKDTSA-N 426.561 4.023 10 20 IICD COc1cc(Br)cc(CN(C)[C@H](c2cccc(F)c2)c2cnn(C)c2)c1O 769234562 VICULBKGKUTKAE-LJQANCHMSA-N 434.309 4.257 10 20 IICD COc1cc(NCc2cc(-c3ccccc3)ccc2O)ccc1S(=O)(=O)N1CCCC1 770501446 LVPFIALPNAEERE-UHFFFAOYSA-N 438.549 4.464 10 20 IICD Oc1c(Br)cc(Br)cc1CNCc1ccc2c(n1)CCCC2 775180624 ILMVRWKOGMPKFT-UHFFFAOYSA-N 426.152 4.481 10 20 IICD CC[C@@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1cc(Br)ccc1O 775494319 ZZRXGOGSSOAZPJ-GOSISDBHSA-N 441.391 4.082 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCN1C(=O)COc2ccccc21 777826832 SFPOGOXGBFXQDL-LJQANCHMSA-N 430.504 4.298 10 20 IICD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783317649 YKYKOAZCZRFUNE-UHFFFAOYSA-N 438.572 4.031 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C2CCCCC2)cc1 784058082 KSXQWAPVRQOLHH-UHFFFAOYSA-N 427.455 4.318 10 20 IICD CSCCCCCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 784155040 SAFDQXNIWISRSC-UHFFFAOYSA-N 426.494 4.023 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CC23CCOCC3)c(C)n1-c1ccc(OC(F)F)cc1 786460093 WQSHCBAATGVLNY-LJQANCHMSA-N 433.451 4.238 10 20 IICD Cc1c(Br)ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1F 788741565 KYWKWDCOSJJNAK-UHFFFAOYSA-N 440.288 4.194 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 790591986 STNWRONBJHLRQK-ITRAFESCSA-N 445.537 4.210 10 20 IICD CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 795548986 PVROVAXUECNUEX-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c1O 797667182 YLISVXYECAOBAX-UHFFFAOYSA-N 435.303 4.004 10 20 IICD C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1S(=O)(=O)c1cccc2nsnc12 798442846 SXTLTEGGRFNVTL-CYBMUJFWSA-N 446.554 4.030 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 799833537 XQZOZUGMCVHTTO-UHFFFAOYSA-N 431.536 4.203 10 20 IICD C[C@H](NC[C@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1Cl 800495784 FUAFDRORDGLRKO-XOBRGWDASA-N 439.781 4.323 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 801791466 CHDAJGTYYHZMGR-JOCHJYFZSA-N 425.529 4.144 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1 802552886 RAXBVDGRXLNYFT-MRXNPFEDSA-N 443.975 4.290 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)C[C@H](C)[S@@]1=O 804436461 YBQOOKWBWQKPIM-VOXLTAEOSA-N 444.622 4.097 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(-c2ccccc2F)cs1 808301145 JBQDAZXNUQJDKV-UHFFFAOYSA-N 441.528 4.100 10 20 IICD Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 808501944 YLWXAGPEPTWKDN-OAQYLSRUSA-N 447.501 4.362 10 20 IICD CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1[N+](=O)[O-] 814107877 AICMPMXEZVAOJO-UHFFFAOYSA-N 433.455 4.259 10 20 IICD Nc1c(Cl)ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl 857472171 HXXMXVYDJWUXAQ-CYBMUJFWSA-N 428.747 4.329 10 20 IICD CN(C)c1ccc(CNc2ccc(S(=O)(=O)NCC3CC3)cc2)c(C(F)(F)F)c1 864042961 AJCZLLBNZRWHLP-UHFFFAOYSA-N 427.492 4.072 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 915306388 MDRNVTMEQQKHHD-UHFFFAOYSA-N 446.617 4.227 10 20 IICD Cc1cc(CC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1-c1ccc(Cl)cc1 917122036 NNRLIPKYUXRTOM-SFHVURJKSA-N 437.975 4.234 10 20 IICD C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 917938188 HGCDYXMZYFHZFF-HUUCEWRRSA-N 443.459 4.048 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 918218482 ZUFQCKOMZAIMJN-FQEVSTJZSA-N 440.544 4.319 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(Cc2ccsc2)CC1 918309622 CPAWUICZVQCIAQ-UHFFFAOYSA-N 433.537 4.446 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ccccc3OC)n2C[C@@H]2CCOC2)cc1 1327205434 MDDZKFYHRMWTRA-NRFANRHFSA-N 449.599 4.473 10 20 IICD Cc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429350 JEIOBLGZDQLLEF-UHFFFAOYSA-N 435.455 4.002 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1F 97554491 LIRUNKCJAXKSAQ-IBGZPJMESA-N 426.536 4.232 10 20 IICD Cc1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c(C)n1-c1cccc(Br)c1 108408127 FLXRGJSRGYHAGB-UHFFFAOYSA-N 441.329 4.277 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCn3ccc4ccccc43)cc2F)C[C@@H](C)O1 108454728 LMYIVFXZUSGMHA-KDURUIRLSA-N 438.547 4.284 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(I)ccc1Br 227365177 FSZWRSKNBASREI-UHFFFAOYSA-N 446.082 4.032 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 302810074 KOOBWBZRCJEEDL-HXUWFJFHSA-N 427.976 4.307 10 20 IICD Cc1ccc(OCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 725868133 FHLRHYIGGYDHOO-KDURUIRLSA-N 429.536 4.016 10 20 IICD COc1ccc(N2CCC(NC(=O)NCC3(c4ccccc4C)CCOCC3)CC2)cc1 726612585 GOYJDMNGWKKBSA-UHFFFAOYSA-N 437.584 4.020 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc(-c2ccccc2Cl)n1 727307326 NDUAPHHCDHOSGI-UHFFFAOYSA-N 431.920 4.369 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1F 731400196 MBTAKHSRNLNGDN-GOSISDBHSA-N 428.552 4.387 10 20 IICD CN(C)CCOc1ccc(N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 732005729 LBPMOLIOMDATEH-UHFFFAOYSA-N 441.535 4.151 10 20 IICD CCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)ccc1=O 732371319 DITDZIPXQASECO-UHFFFAOYSA-N 435.524 4.008 10 20 IICD CCn1cc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1 734043046 BJSKYPVQBOBNAN-OAHLLOKOSA-N 431.439 4.340 10 20 IICD CCOC(=O)c1sc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C 738917918 KKGXWUNUBMWPCZ-GJZGRUSLSA-N 449.548 4.308 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cccc(OC(F)F)c2)NC(=O)OC(C)(C)C)cc1 742754957 SPVBVKJQOGCEDF-IBGZPJMESA-N 449.498 4.350 10 20 IICD COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC(F)F 742800152 GJJPDABWQOHJAB-AWEZNQCLSA-N 442.409 4.297 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)cc2c1OCO2 743285023 RURYGRWIRZIDQO-JJLFXSABSA-N 425.531 4.183 10 20 IICD CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751936509 IWZWTAMGKRXVCI-HOTGVXAUSA-N 437.565 4.301 10 20 IICD CC[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 752295606 GSXYKSXHJMBDOB-WIYYLYMNSA-N 447.501 4.217 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1Br 754088599 RTCTTYOZIUTOMT-ZYHUDNBSSA-N 437.250 4.257 10 20 IICD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 755293625 GQWCSUMNHFVSSC-UHFFFAOYSA-N 448.523 4.107 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 756189844 OELNWRZYRYGYJD-CYFREDJKSA-N 432.568 4.419 10 20 IICD CCc1ccccc1Nc1nc(N)nc(CN(Cc2ccco2)Cc2ccccc2O)n1 756318878 ORFVFKOQJUHBBW-UHFFFAOYSA-N 430.512 4.261 10 20 IICD CCC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756515989 OYRVABKAZCZPES-VGSWGCGISA-N 439.556 4.237 10 20 IICD C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cc(F)ccc1O 756589542 METXHSJSWJADGZ-GFCCVEGCSA-N 430.339 4.197 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)Nc1nccn(C)c1=O 757905304 FWGNGNUQCALFDL-KRWDZBQOSA-N 445.445 4.097 10 20 IICD CCCOc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(C)c1 759953777 BMHHSFYDMFECTN-UHFFFAOYSA-N 443.544 4.164 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(F)c2I)c1 760003792 MYSQKAYDLASSRJ-SECBINFHSA-N 430.217 4.027 10 20 IICD CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 760141476 AHBXMMAQQUSECW-UHFFFAOYSA-N 437.519 4.122 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1OC(F)F 765250904 DQQDWVBYFLNITB-GDBMZVCRSA-N 437.918 4.494 10 20 IICD C[C@H](CCc1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765278277 XWMMDJLJKJFDFM-LJQANCHMSA-N 437.538 4.192 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2NCc2ccccc2)c1 769978479 WMURHOQEMNFIDS-UHFFFAOYSA-N 445.928 4.282 10 20 IICD Fc1cc(CNc2nc(C(F)(F)F)cs2)ccc1N1CCN(c2ncccn2)CC1 770443345 GNHZKXYKQLNQKL-UHFFFAOYSA-N 438.454 4.030 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)Nc4ccc(OC)cc4)no3)ccc21 771056525 GNBCOYJVNCUAKY-UHFFFAOYSA-N 434.496 4.144 10 20 IICD CCCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 772017347 BKEWUGWGSKEDKT-IBGZPJMESA-N 428.558 4.207 10 20 IICD C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(N(C)C)cc1 773154529 RTRPLQZUEGRZMG-LLVKDONJSA-N 440.857 4.028 10 20 IICD C[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N(C)C)cc1 775834965 XGAWNSGQSPMKHC-LSDHHAIUSA-N 439.541 4.462 10 20 IICD CCN1CCN(c2ccc(CNC(=O)CCCCC(=O)c3ccc(F)cc3)cc2F)CC1 777793369 WLMPSBZIOBLTTL-UHFFFAOYSA-N 443.538 4.166 10 20 IICD COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCCS2 783221927 JBAWSRLUSKAYLW-XMSQKQJNSA-N 425.598 4.114 10 20 IICD CCOc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 785749130 DYMVUHKXVYXNDJ-IBGZPJMESA-N 449.551 4.151 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(N4CCCCC4=O)CC3)cc2Cl)C1 799994161 NWTWEEOPBLIFMY-GOSISDBHSA-N 447.023 4.263 10 20 IICD CC1(C)CC(=O)c2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc2O1 807006523 NNFRVZTVGOPWGK-UHFFFAOYSA-N 435.524 4.175 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1O 812785329 ZTXDDIFWVVFKLV-UHFFFAOYSA-N 445.472 4.051 10 20 IICD CCCc1nc(C)c(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1 817046196 GPGMWBCIHJAJNF-WJDWOHSUSA-N 449.623 4.295 10 20 IICD O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)Nc1ccc(N=Nc2ccccc2)cc1 912953502 OEAQUKPXASFLGL-FQEVSTJZSA-N 430.468 4.043 10 20 IICD O=C(Nc1ccccc1C(=O)N1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 916670826 NRDTVKUHFGUVSK-HXUWFJFHSA-N 437.540 4.231 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C 917872943 RZAZQQJRZVSRFD-UHFFFAOYSA-N 443.550 4.121 10 20 IICD C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(N2CCOCC2)cc1 920886957 SESPXYSQFRHFPH-AWEZNQCLSA-N 428.330 4.258 10 20 IICD CC1(C)CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)C1 1821295091 AXDRSUMGHBJFQC-MRXNPFEDSA-N 446.935 4.216 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccc(Cl)cc2)on1 195641036 FAXIAZZATVMGOW-UHFFFAOYSA-N 429.879 4.025 10 20 IICD COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCc1cccnc1 237342038 URONJWKPPCABAJ-HXUWFJFHSA-N 433.552 4.357 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 302980365 CXCLFFYOWJHVKC-FCHUYYIVSA-N 443.385 4.078 10 20 IICD CCOCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 303536610 HELPUEWWHOTRMZ-UHFFFAOYSA-N 445.991 4.143 10 20 IICD Cc1ccc(NC(=O)Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)c(C)c1 445367984 YMZVPIRKYRDBRY-UHFFFAOYSA-N 446.532 4.059 10 20 IICD Cc1c(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)n(C)c2ccccc12 471225575 DBXDEYDUTBUCRG-UHFFFAOYSA-N 432.545 4.391 10 20 IICD Cc1c(CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)n(C)c2ccccc12 583342097 QWAJLFGKKKPIDK-HNNXBMFYSA-N 431.458 4.341 10 20 IICD O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1CCc1ccccn1 726197313 QNFNDURASMVMQN-PXNMLYILSA-N 449.351 4.017 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)c(Cl)c1 726604253 ZMXHECBJJVQKNR-UHFFFAOYSA-N 434.867 4.028 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cc1F 726628815 DEMWNVNTUCTEEI-QGMBQPNBSA-N 435.498 4.266 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 727241744 DBAGNNQLUWKQNL-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(I)cc2Cl)c1 728978807 OSDSAVAVPBTNFO-SECBINFHSA-N 431.657 4.150 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1F 731345948 NIQWUSLLSXATRD-UHFFFAOYSA-N 431.899 4.250 10 20 IICD O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 731848110 SERDTXDRKSRWQZ-QFIPXVFZSA-N 436.552 4.272 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H](NC(N)=O)c2ccccc2)cc1 732114298 AQKGEJGOTSGMFL-DEOSSOPVSA-N 446.551 4.094 10 20 IICD O=C(NCCCSc1nccs1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 733880194 BBERNCIDCSIVNS-UHFFFAOYSA-N 427.530 4.171 10 20 IICD CCC[C@@H]1SCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 736093213 NDVIUIXXKDTRLQ-HECSCLNYSA-N 426.654 4.431 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 740812795 BMNZYWLWRCNVBX-UHFFFAOYSA-N 437.370 4.336 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cccc3cnccc23)NC(=O)OC(C)(C)C)cc1 744612048 ZRUDMGIPYUMLMD-JOCHJYFZSA-N 434.540 4.297 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 747473563 HPBSGXQSXVYYBW-FGZHOGPDSA-N 443.385 4.078 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1ccc(N2CCCC2)cc1 747496171 SLIIWWFMQBJEIJ-UHFFFAOYSA-N 444.963 4.085 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4onc(C(C)C)c34)CC2)cc1F 753738404 QJABXTOQKQPBCR-UHFFFAOYSA-N 438.503 4.334 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(Br)c1 754832647 INFNFOFCBSSOEC-HUUCEWRRSA-N 435.337 4.440 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(C)(CN4CCN(C)CC4)CC3)c2C)c1 756379640 PXPLRQGIYUQYKS-UHFFFAOYSA-N 436.644 4.201 10 20 IICD C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1O 756597008 IWXXNVMBNYYRAL-CYBMUJFWSA-N 429.433 4.292 10 20 IICD C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)c(F)cc1O 760018544 PSQIDRBKYXHZOP-DOTOQJQBSA-N 437.353 4.236 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)CCO2 765281251 PEOSNTPOINVZAM-QHCPKHFHSA-N 447.558 4.118 10 20 IICD Cn1cc([C@H](O)C[C@H]2CCCN2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 766961125 ODKPEIJYAJRFJH-DHIUTWEWSA-N 432.528 4.362 10 20 IICD O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 772363644 HVPPCAPBPUQNDY-UHFFFAOYSA-N 442.523 4.468 10 20 IICD C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C)c4ccc(N(C)C)cc4)nc(O)c23)C1 773994871 PKWWFNBATSFDRZ-HUUCEWRRSA-N 438.597 4.398 10 20 IICD CC[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(F)cc1F 775451815 ZXFLRJPNOWEXPV-MCFFVMPBSA-N 449.517 4.075 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 775483810 CGXYEEWZFWSVIH-UHFFFAOYSA-N 443.425 4.329 10 20 IICD C[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C[C@H]1n1ccnc1 775737815 MPJAWTVMJGLCLC-XHDPSFHLSA-N 429.156 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2nc(-c3ccccn3)oc2c1 777727357 XODBOFHCLDZUOQ-UHFFFAOYSA-N 447.470 4.187 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 780703892 NZHCOSOOKXIPMH-UHFFFAOYSA-N 438.534 4.385 10 20 IICD COc1ccc(C[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC 781327524 LVBJUXKXGXRPIM-WMZHIEFXSA-N 440.584 4.156 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 781465943 GXGVCJOYOMQOJL-CALCHBBNSA-N 437.519 4.255 10 20 IICD CN(C)c1ccc([C@@H](CN[C@H](c2ccccc2)c2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 783280333 VBTWGJMPHUMING-FGZHOGPDSA-N 435.572 4.421 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783485231 IBMBZKJPVSMGTO-QGZVFWFLSA-N 441.491 4.360 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783486186 MGXMOZICCMBUKW-IBGZPJMESA-N 439.519 4.496 10 20 IICD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 789593883 BTRMRDNKMGJTRR-UHFFFAOYSA-N 432.524 4.186 10 20 IICD COC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 796304749 LSBYUPCOSQEKPS-HXUWFJFHSA-N 434.418 4.468 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 801638332 SPCQPBYXTGXDEO-UHFFFAOYSA-N 436.516 4.088 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(F)c(C(=O)OC)c(F)c1 801838469 SZZUXOLODZQMDW-UHFFFAOYSA-N 443.244 4.274 10 20 IICD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)sc2C1 807512708 FQFUISCRAZUGFQ-SNVBAGLBSA-N 442.368 4.315 10 20 IICD COc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1OC 807602694 JQOLNBAOOGASCY-MJGOQNOKSA-N 428.529 4.170 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1c2ccccc2CC12CCOCC2 811954958 IQPGRXZYUXJJFH-LJQANCHMSA-N 431.330 4.048 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 914577976 HGEDLHNCJMRMRV-UHFFFAOYSA-N 446.506 4.489 10 20 IICD Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1NC(=O)c1ccccc1 914849445 IURBJRVAMJIVIT-UHFFFAOYSA-N 443.547 4.356 10 20 IICD COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 917846419 PBEGQOYSRJCPTJ-UHFFFAOYSA-N 446.550 4.088 10 20 IICD COC(=O)CC1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1 918741202 AEUVDKXTLHQPHS-UHFFFAOYSA-N 434.483 4.153 10 20 IICD CCOC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl 920873311 URYXVQVBHSCUMK-OAHLLOKOSA-N 431.920 4.236 10 20 IICD C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCOCC2)cc1 920880783 HGKSUNQEYJOZHM-QGZVFWFLSA-N 435.549 4.328 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2ccc(Cl)s2)C1 1116168480 BCCRUGCCQZJSSI-QGZVFWFLSA-N 438.018 4.238 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)CC2)cc1 1319869620 GIHGZNIXNXOXFD-UHFFFAOYSA-N 437.584 4.166 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1C 25521107 BQKFBTMFMFDXDM-UHFFFAOYSA-N 444.579 4.235 10 20 IICD CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)o2)cc1 34982622 CIPFZQHCOCTWKK-SFQUDFHCSA-N 445.518 4.189 10 20 IICD COc1ccc2ccc(O)c(CN3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)c2c1 108023767 JEJONOXJWHZOPA-INIZCTEOSA-N 425.916 4.453 10 20 IICD O=C1N=C(N2CCCCC2)S/C1=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 210299431 RYSIIRQXHQZQPD-KGENOOAVSA-N 429.549 4.450 10 20 IICD Cc1c(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n(C)c2ccccc12 548100060 YKHLIIROJKTRBX-UHFFFAOYSA-N 430.474 4.433 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)n(C)c2ccccc12 551125777 POMNBEUBHUISHW-GOSISDBHSA-N 435.568 4.028 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3csc(COc4ccccc4)n3)SC2=S)cn1 726197048 KYWFJFPLVGBMBM-PXNMLYILSA-N 428.564 4.344 10 20 IICD COc1ccc(N2CCC(NC(=O)CCC(=O)CCC(=O)c3ccc(C)s3)CC2)cc1 726563812 SMUXVPYOCHWERK-UHFFFAOYSA-N 442.581 4.163 10 20 IICD O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCSCC2)cc1 726884270 BOUYXLGMPFHSOF-UHFFFAOYSA-N 435.014 4.126 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 728754664 BKWIFPPXHUWYKW-IBGZPJMESA-N 445.405 4.326 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)c2C)cc1F 728915943 ZACSFFPMRWPWHP-IBGZPJMESA-N 435.547 4.142 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccccc3Oc3cccnc3)cc2F)CC1 730194661 UQSPJCQPQPQHLW-UHFFFAOYSA-N 434.515 4.085 10 20 IICD CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731121284 PTGXWIIJHAXARX-RBBKRZOGSA-N 428.621 4.149 10 20 IICD CCOC(=O)c1c(CN(C)Cc2ccc(N3CCOCC3)cc2)nc2ccccc2c1C 741736376 RETZVQULUQJFPW-UHFFFAOYSA-N 433.552 4.189 10 20 IICD Cc1sc2ncn(CC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c(=O)c2c1C 742417114 USJPMPWHZJQCNI-UHFFFAOYSA-N 438.597 4.160 10 20 IICD COc1ccc(OCCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742801700 RSXGPJDQJOTICD-KRWDZBQOSA-N 434.483 4.241 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 743888999 IZHLFPHKIVHIPF-UHFFFAOYSA-N 448.336 4.176 10 20 IICD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1C 747147776 CPGRPGBEXKQYAY-JCMHNJIXSA-N 444.560 4.459 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCCCSc1nccs1 747483137 UCCJGQWSFDRODJ-UHFFFAOYSA-N 443.550 4.181 10 20 IICD COCCOc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 748704126 WJLWCIUEHISRIZ-UHFFFAOYSA-N 443.975 4.150 10 20 IICD O=C(CCc1cccc(F)c1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 749794507 OMIFOVRDVYOUKN-UHFFFAOYSA-N 428.401 4.069 10 20 IICD COc1ccc(N2CCN(CCNC(=O)[C@H](C)c3c(Cl)cccc3Cl)CC2)cc1 751386359 SDOQVORFRVBFDV-MRXNPFEDSA-N 436.383 4.044 10 20 IICD C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)cc(Cl)c1O 756384871 PSDWDEDOYRXHLK-SNVBAGLBSA-N 433.755 4.030 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccnc(-c2ccc(Br)cc2)n1 759594081 FSDDNFBTAZYGQX-WAPJZHGLSA-N 427.254 4.074 10 20 IICD COc1c(F)cc(F)cc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 761686120 LDXVBFXHCFJEIK-CYBMUJFWSA-N 427.398 4.365 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 764232725 JRCUUSDBNIRKBQ-UHFFFAOYSA-N 447.417 4.051 10 20 IICD O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2cccc(Br)c2O)CC1 768251434 GLXMDZLTIUJANT-UHFFFAOYSA-N 443.263 4.132 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cn1 769665952 GGZQCMRVVXTOFB-UHFFFAOYSA-N 431.539 4.090 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 773742614 XQRYRYLJQPLBEN-GHMZBOCLSA-N 428.710 4.028 10 20 IICD COc1ccc([C@H](CN[C@@H](C)c2cc(Br)cc(C)c2O)N2CCOCC2)cc1 779006364 NXINVZMGGFLTHN-KKSFZXQISA-N 449.389 4.196 10 20 IICD COC(=O)c1csc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C 783483031 MGRGAJOMUOJOAC-HNNXBMFYSA-N 437.521 4.158 10 20 IICD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 784109053 NFIQENLXTBZOSV-UHFFFAOYSA-N 434.540 4.088 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 785084359 BWCWZWALBAIIFM-UHFFFAOYSA-N 445.441 4.469 10 20 IICD CC(C)Oc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl 793543944 WZIJPRXHJGFCSG-QGZVFWFLSA-N 437.005 4.213 10 20 IICD Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 796197892 CDMYMRZCZISUEN-AWEZNQCLSA-N 446.459 4.066 10 20 IICD C[C@@H](NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1)c1ccc(N(C)C)cc1 807140792 OAQZBNPEQXMCTQ-UZLBHIALSA-N 427.549 4.027 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cc(C(F)F)ccc1Cl 807386624 CFXBJMNWQJWQHU-UHFFFAOYSA-N 433.636 4.001 10 20 IICD CN(Cc1ccccc1O)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 807437065 QEQMQFWHPOFYPO-FQEVSTJZSA-N 425.529 4.068 10 20 IICD CCOCCCNC(=O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 809545050 GFHISGMDKBDFQT-UHFFFAOYSA-N 435.612 4.004 10 20 IICD CCOCc1nc([C@@H](C)N[C@H](C)c2cc(Br)cc(Br)c2O)no1 810256305 XMLBMHFYFLRRPI-RKDXNWHRSA-N 449.143 4.249 10 20 IICD Cc1nc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1-c1ccccc1 810416226 SOOAIXJHBVNZTJ-UHFFFAOYSA-N 430.291 4.324 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cc1 814287099 LXZFGZFUYGWQOB-VXLYETTFSA-N 431.535 4.122 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc(-c3ccc[nH]3)cs1)c2[N+](=O)[O-] 823447561 KIJXNYYQEBLDIQ-UHFFFAOYSA-N 444.428 4.074 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914831376 JUWPSWLHZVHCTC-UHFFFAOYSA-N 444.579 4.385 10 20 IICD C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H]2CCCC[C@@H]12 915175973 HDZSJZFLKYCPFJ-QEEYODRMSA-N 432.476 4.411 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(OCc2ccccc2)cc1 916386836 IAAXGBFZAUXMGP-UHFFFAOYSA-N 445.563 4.444 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1csc(Br)c1 916458172 FENPHRRRQGPJTL-UHFFFAOYSA-N 449.292 4.296 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCOCC2)cc1 920923400 PSODJTMBWVPMDV-QGZVFWFLSA-N 443.503 4.239 10 20 IICD O=C(CCc1ccccc1F)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429366 KFCMFESQARTYSA-UHFFFAOYSA-N 449.482 4.012 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 24207887 VRPQMNYVEPNQDT-UHFFFAOYSA-N 437.628 4.358 10 20 IICD COc1cc(NC(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc(OC)c1 57642391 OCGXIICCJNIAKF-UHFFFAOYSA-N 440.521 4.182 10 20 IICD O=C(Cc1sccc1C(=O)N1CCOCc2ccccc21)N1CCOCc2ccccc21 509878373 NAGPBRGEKXHXAB-UHFFFAOYSA-N 448.544 4.031 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)nc1-c1ccccc1 727248591 IXQZJIKLFPJPRM-UHFFFAOYSA-N 436.580 4.138 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 727405375 XKLZMWCBUBIFPS-HNNXBMFYSA-N 445.972 4.147 10 20 IICD COc1cccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)c1O 729859799 WIQMUOWPBDPOLC-UHFFFAOYSA-N 429.270 4.281 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3ccccc3F)C(C)C)cc2F)CC1 730132791 FYTRWKBQZNVUME-UHFFFAOYSA-N 430.543 4.227 10 20 IICD CCc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCC3)cc1 730750492 KHAVOQWLTBZICU-IBGZPJMESA-N 444.579 4.251 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)cc1F 731403991 DKUCRWBAUSVTMT-UHFFFAOYSA-N 440.563 4.118 10 20 IICD O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1cc(O)cs1 732264177 CJWVWEITAOQZSI-RZNTYIFUSA-N 443.333 4.227 10 20 IICD CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 733890979 PSWDGHIPNIFDNA-JOCHJYFZSA-N 449.517 4.241 10 20 IICD O=C(CCCCCNC(=O)NC1CCCCC1)NCc1ccc(N2CCCCC2)cc1 734429993 PFQAJQRQANLDEV-UHFFFAOYSA-N 428.621 4.485 10 20 IICD COc1cc(NC(=O)CCN(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC 738298986 KZYBSLBFPUXILG-UHFFFAOYSA-N 441.572 4.163 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2F)NC(=O)OC(C)(C)C)cc1 742750778 PMFNIKAVZOJLLQ-NRFANRHFSA-N 429.536 4.207 10 20 IICD CCN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1cc(Br)ccc1O 744427114 YVWMAFRZWYJQHG-UHFFFAOYSA-N 442.357 4.043 10 20 IICD COc1ccc(C[C@@H](NC(=O)NCc2cccc(OC)c2O)c2ccc(OC)cc2)cc1 745314326 HOJXGKJKWSIWBD-JOCHJYFZSA-N 436.508 4.201 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCN1CCC(C)CC1 745508493 DCYRHSOJQBTWBZ-UHFFFAOYSA-N 426.399 4.198 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)CC2)cc1 746729681 OJDFBEQPTDNPCU-UHFFFAOYSA-N 439.947 4.384 10 20 IICD CCOc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1F 748035784 VDXXMDBKGTVJBE-UHFFFAOYSA-N 436.486 4.045 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc2C[C@@H]1C 751137810 XIXASGSVSQXEEM-KRWDZBQOSA-N 442.581 4.213 10 20 IICD Cc1cc(-c2nnc(N3CCC(F)(F)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752846566 XGMIYDGDNKCGHK-GOSISDBHSA-N 427.499 4.235 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C2CCCCC2)no1 752858674 CIQPFWGKKFLDAZ-INIZCTEOSA-N 429.590 4.231 10 20 IICD O=C(Cc1c[nH]c2cccc(Br)c12)N(Cc1ccccc1O)C[C@H]1CCCO1 754092957 WMZHWKUKSTZYRD-QGZVFWFLSA-N 443.341 4.386 10 20 IICD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 755394869 VWPILEBOLXXQEU-UHFFFAOYSA-N 434.496 4.430 10 20 IICD Oc1ccccc1CN(Cc1nc(O)c2ccc(C(F)(F)F)cc2n1)C[C@H]1CCCO1 756335478 IUMNEUKWFLHDDZ-MRXNPFEDSA-N 433.430 4.241 10 20 IICD C[C@@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cc(Br)cc(F)c1O 756737614 WGTRVAXDMBNSSZ-AUUYWEPGSA-N 435.337 4.178 10 20 IICD C[C@@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)c(F)cc1O 757640780 UOJBSDSQAHSIIA-PBHICJAKSA-N 437.353 4.101 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 760564860 HMJJGNITWRXSHS-YJYMSZOUSA-N 433.451 4.427 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 763060321 ZUKNKYJSWWIHEZ-FVQBIDKESA-N 431.421 4.066 10 20 IICD CC[C@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C1CC1 763116556 FSJVMDBYASBPHS-INIZCTEOSA-N 436.512 4.198 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3c([N+](=O)[O-])ccc(C)c3C)n2)c1 764523372 CGOQYBIIQSRIHG-UHFFFAOYSA-N 449.510 4.153 10 20 IICD O=C(Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1)N1CCc2ccccc21 770551423 UATFOXAHDVKUEH-UHFFFAOYSA-N 427.548 4.267 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCCSc2ncc(C(F)(F)F)cc2Cl)c1O 774992187 NEWUSJBROXIFEY-UHFFFAOYSA-N 437.827 4.258 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2cc(Br)cc(C)c2O)N2CCOCC2)cc1 779006362 NXINVZMGGFLTHN-IERDGZPVSA-N 449.389 4.196 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 782711631 NNIOUMRNFOCGGM-OALUTQOASA-N 425.577 4.204 10 20 IICD O=S(=O)(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccco1 783524555 VBUPLGDGAZKYAB-UHFFFAOYSA-N 447.321 4.188 10 20 IICD Cc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1Br 786840905 NYEFCRWOEAWXLX-SFHVURJKSA-N 433.346 4.354 10 20 IICD COc1cc(Cl)cc(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c1O 787436420 AKZZKGKPCSENAV-UHFFFAOYSA-N 440.769 4.181 10 20 IICD Cc1ccc(OCCCCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 787926360 OIBCCKGKHRAUCJ-UHFFFAOYSA-N 438.568 4.337 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NCc1ccc2c(c1)CCN2Cc1ccccc1 796468039 BEKHACWXPVPIAU-UHFFFAOYSA-N 436.577 4.415 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOC4=O)cc3)cc2Cl)C1 800046739 CBZLYONPUCVJGC-INIZCTEOSA-N 427.932 4.463 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)N4CCCC4)CC3)cc2Cl)C1 800048704 AUGQRPQARSCPRX-SFHVURJKSA-N 447.023 4.120 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cncc4ccccc34)cc2Cl)C1 800636867 PQYUXTMLMOBNNF-INIZCTEOSA-N 436.943 4.379 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 801545514 QSHGSDXRXQVUMS-QGZVFWFLSA-N 445.357 4.337 10 20 IICD CN(C)S(=O)(=O)C[C@@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(F)(F)F 806101637 LRCUJOFVXCZELL-MRXNPFEDSA-N 443.451 4.046 10 20 IICD CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)cc(Cl)c1O 806132353 VMVNZCSAPCADDL-HXUWFJFHSA-N 436.383 4.328 10 20 IICD CC(C)N1CCN(C2CCN(Cc3ccc4c(c3)CCN4Cc3ccccc3)CC2)CC1 809591770 GDNWYURBRIKDEG-UHFFFAOYSA-N 432.656 4.240 10 20 IICD Oc1c(Cl)cc(Cl)cc1CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 809774903 UKIPLZMQYINILH-UHFFFAOYSA-N 445.774 4.353 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)CC2)cc1 813778654 BLSSPNWLIJLAEN-LJQANCHMSA-N 448.608 4.000 10 20 IICD CC(C)(C)OC(=O)CNC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814771273 NLUYGUPXALXMGS-NVNXTCNLSA-N 448.591 4.063 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])n2)s1 818000351 OSXKGFIQFHVSCD-UHFFFAOYSA-N 425.513 4.152 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 915317477 MTYFYKWXPSAUOA-UHFFFAOYSA-N 425.501 4.193 10 20 IICD Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)NC2=S)c1C 917607355 SMZDULOEMWULRP-AQTBWJFISA-N 436.537 4.464 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C(F)(F)F)c1 918183736 UNDOOXIPIWNGHV-INIZCTEOSA-N 435.490 4.475 10 20 IICD COc1ccc([C@H](C)N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 932300683 GAEXEZLZMVOVQJ-AWEZNQCLSA-N 444.443 4.212 10 20 IICD O=C(NCc1ccc2c(c1)CCC2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1323296781 JABRAPWCDXABFV-UHFFFAOYSA-N 433.474 4.030 10 20 IICD CCC(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821907421 ZWRCQMONUSSMMX-NRFANRHFSA-N 447.539 4.102 10 20 IICD CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1 16755432 AIQJXFUKPDIEQJ-UHFFFAOYSA-N 442.512 4.013 10 20 IICD COC(=O)c1ccc2c(O)nc(/C=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c1 726427373 KTQNZBRVKIMBIO-POHAHGRESA-N 434.452 4.191 10 20 IICD CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)NC2=S)cc1 727435216 QVBAXLJWQQJXTN-ZHZULCJRSA-N 425.529 4.048 10 20 IICD Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c(C)n1-c1ccccn1 728537691 GLHJGAQZKRBHIB-SFHVURJKSA-N 439.357 4.260 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)ccc1Cl 728587286 MFASXJAYEHRBRG-UHFFFAOYSA-N 434.867 4.028 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 728981217 VUHRYPAJNUJYBU-DGCLKSJQSA-N 447.582 4.227 10 20 IICD CC(C)N(Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 729047193 BTGDBKMXJHLFSE-UHFFFAOYSA-N 425.451 4.255 10 20 IICD CCc1ccc(-n2nc(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)c3c2CCC3)cc1 730776572 TZAAOGADPCQTBX-UHFFFAOYSA-N 444.579 4.331 10 20 IICD CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(N(CC)CC)c(F)c1 731364875 QOILPYQGULQGSV-UHFFFAOYSA-N 425.508 4.052 10 20 IICD CCN1CCN(c2ccc(NC(=O)NCc3ccc(N(CC)CC)c(F)c3)cc2)CC1 731398748 SFKBDIQGRSRDPA-UHFFFAOYSA-N 427.568 4.136 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1 732980877 PABXKCRLRSMJJK-HSZRJFAPSA-N 430.495 4.042 10 20 IICD C[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(N2CCOCC2)cc1 733314349 RCAAZBLGXZFYKD-CQSZACIVSA-N 429.369 4.011 10 20 IICD C[C@H]1[C@@H](C)SCCN1C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 735643440 BCPLJERDMGJJFY-LSDHHAIUSA-N 444.578 4.112 10 20 IICD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 742475661 JJMNOAJLECUTBL-IBGZPJMESA-N 425.598 4.362 10 20 IICD CCn1c(C)cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1C 742748998 CKKYTDJZRNWKEN-NRFANRHFSA-N 428.577 4.187 10 20 IICD COCCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 744417706 XRVPWQDCALLSMY-GOSISDBHSA-N 449.389 4.024 10 20 IICD O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N(Cc1ccccc1O)C1CCCCC1 745359290 IVCBKFWJJLSEFD-DEOSSOPVSA-N 437.584 4.310 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCCN1CCCCC1 745833065 QICRWCJIQOTAGA-UHFFFAOYSA-N 426.399 4.342 10 20 IICD CN(CCOc1ccccc1F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903814 IPSVDAOREMZXOP-INIZCTEOSA-N 437.462 4.116 10 20 IICD CC[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CCOCC1 746359483 KWRDXUZDVZVGMY-YKBBIGDRSA-N 438.640 4.051 10 20 IICD COc1ccc(N(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1F 746674093 NKJOXNUKZWUSKI-UHFFFAOYSA-N 442.487 4.110 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c(C)o1 754695045 SVGSBDWJDFHXQL-UHFFFAOYSA-N 434.451 4.152 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3csnc3C(=O)OC)sc2C)cc1 755737016 MTOWSCGWGZJPFI-UHFFFAOYSA-N 437.568 4.115 10 20 IICD O=C(NCCCSc1nccs1)N1CCCN(Cc2ccc(Cl)cc2)CC1 759589488 JEDXKKUPTLKZLM-UHFFFAOYSA-N 425.023 4.196 10 20 IICD COc1cc(Cl)cc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1O 761184157 ROINSHFIVCRQGC-UHFFFAOYSA-N 449.338 4.075 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 765330992 ZUCNRNZSMDCKDJ-LJQANCHMSA-N 447.620 4.495 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)cc1F 766149430 WCNHXAMWZGWNQH-UHFFFAOYSA-N 430.524 4.022 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(-c3ncco3)cc1)c2[N+](=O)[O-] 766672634 QPVGMAFFEACUOA-UHFFFAOYSA-N 439.383 4.278 10 20 IICD C[C@H](NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 773081426 RDRVYRJXUMGWGO-IRXDYDNUSA-N 440.481 4.183 10 20 IICD C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccc(N(C)C)cc1 773614534 AMZGTAMGDHNCGW-TZYHBYERSA-N 434.584 4.291 10 20 IICD C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1cccc(Br)c1O 775152743 PPDJBVSLPHBPBN-LLVKDONJSA-N 442.151 4.424 10 20 IICD COc1ccc([C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(F)(F)F)cc1 776000650 YTJKDYIOBURCLU-QUCCMNQESA-N 438.446 4.395 10 20 IICD Cn1c(/C(Cl)=C\c2cn(Cc3cccnc3)nn2)nc2ccc(Br)cc21 776723381 GTFQORRLLXMWMG-OVCLIPMQSA-N 429.709 4.108 10 20 IICD C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2N1C(=O)/C=C\c1cncc(F)c1 776978632 VPHXTCYXRZTALC-GEPPRQSISA-N 446.457 4.250 10 20 IICD Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 787797888 JAPAITGSIAKZPB-UHFFFAOYSA-N 446.956 4.074 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)c1C 790444010 SVHCVPBCIXIKQT-UHFFFAOYSA-N 430.508 4.490 10 20 IICD C[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cc2c(cc1O)CCCC2 793561347 DXIMMWFPTXPOQL-AKJBCIBTSA-N 433.552 4.347 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)c(O)c1 797390647 LLFOLVJABDXUFS-UHFFFAOYSA-N 426.856 4.101 10 20 IICD COc1cncc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1 799183597 VATARMYKLZGNEC-UHFFFAOYSA-N 440.344 4.085 10 20 IICD CCN1CCN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)c(C)c2)CC1 806148838 KZIZXMHXONEMNO-UHFFFAOYSA-N 437.371 4.471 10 20 IICD CN(C)c1ccc([C@H](CNc2nnc(-c3ccccn3)s2)NC(=O)OC(C)(C)C)cc1 808057508 ZOUHNUJQSMXQRH-SFHVURJKSA-N 440.573 4.344 10 20 IICD CC(C)[C@@H]1N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC12CCC2 813586051 NWYAOCWXTLAZRM-IBGZPJMESA-N 425.495 4.262 10 20 IICD O=C(NCc1cc(Cl)ccc1O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 857547631 NFCWVXCAQZTHOX-UHFFFAOYSA-N 431.201 4.229 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1[N+](=O)[O-] 914578582 IGAKYJBDCSSMMO-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CCCCNS(=O)(=O)c1cccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 915329218 GRYWNBIEQVNTPW-UHFFFAOYSA-N 446.617 4.275 10 20 IICD CC(C)CN(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 915868852 CCHVMNYFLZNPGF-UHFFFAOYSA-N 434.370 4.031 10 20 IICD O=C(COCc1ccccc1)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 916554019 VDNTVYKJPHHMOA-UHFFFAOYSA-N 431.400 4.490 10 20 IICD COc1cc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1OCC(N)=O 916640893 OENGDGASLJCROW-UHFFFAOYSA-N 433.468 4.296 10 20 IICD CC(C)CCOC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918220547 KXAOVSLOZAWRDO-OALUTQOASA-N 435.584 4.176 10 20 IICD C[C@@H](Cc1ccccc1F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 919782179 MSHLMGJTHSBYDN-HNNXBMFYSA-N 439.453 4.112 10 20 IICD C[C@H](NC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920864494 WYOCJUNFVGIPFV-AWEZNQCLSA-N 425.476 4.469 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(Cn4cccn4)cc3)cc2F)C[C@@H](C)O1 921119612 RINRAVUKGRVUBV-QZTJIDSGSA-N 437.519 4.006 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccc(F)cc4)C3=O)cc2F)CC1 1248745735 ATPHVXGTCFTFTG-CPNJWEJPSA-N 431.533 4.122 10 20 IICD C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)c1c(Cl)cccc1Cl 1254184415 NIQZIYNMRQYKHA-QKKBWIMNSA-N 426.363 4.096 10 20 IICD COc1cccc2cc(CNC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)oc12 1318280218 GTPJUGVUHAYJMA-IYBDPMFKSA-N 441.503 4.194 10 20 IICD C[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(N2CCOCC2)cc1 1320162999 KAOLFNPYSHKAEX-SFHVURJKSA-N 434.540 4.315 10 20 IICD COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1OC 109101457 XDSYQYMDISRNRO-KRWDZBQOSA-N 425.510 4.172 10 20 IICD Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 110524012 RQBFZTHIIIXOOA-IAGOWNOFSA-N 438.547 4.271 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3OCCn3ccnc3)ccc21 483317402 AEMJJTIQUIFHBO-UHFFFAOYSA-N 432.524 4.432 10 20 IICD COc1ccccc1N1CC[C@@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 726254744 XWARHXXUSIRFJI-IBGZPJMESA-N 435.524 4.232 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3cccc(Cl)c3)ccc21 728638279 BRUDSSXOBFBINL-UHFFFAOYSA-N 428.916 4.031 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCc2sccc2C1 730580936 XNRICGZQXUESIN-UHFFFAOYSA-N 439.503 4.262 10 20 IICD CC1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 731016190 FTHKGCZOJMMGGE-UHFFFAOYSA-N 434.367 4.276 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F 731365036 ZWHLCVUNLYSHMI-GOSISDBHSA-N 436.572 4.118 10 20 IICD CCOC(=O)c1nn(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c2ccccc2c1=O 731836712 MYFUSVYGHMASFQ-UHFFFAOYSA-N 447.466 4.003 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(Br)cc3C)CC2)cc1 732248227 BGMGWBMIQVGGSK-UHFFFAOYSA-N 432.362 4.188 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1 732477785 LMHWIOQZLTVZAX-KRWDZBQOSA-N 434.492 4.104 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCN(Cc2ccccc2)CC1 733642142 COYRJMSMARTDMN-UHFFFAOYSA-N 438.641 4.046 10 20 IICD C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 733847353 DDSQVKQIAKADJR-INIZCTEOSA-N 435.503 4.099 10 20 IICD COc1cc(F)c([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 734068604 DKFMHQYSQYFHMB-NVXWUHKLSA-N 432.492 4.000 10 20 IICD O=C(/C=C\c1ccc(I)o1)NCc1ccc(N2CCCCC2)cc1 742483067 FXYFYWHWTXYYSW-LUAWRHEFSA-N 436.293 4.204 10 20 IICD CC(C)n1ncc2cc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnc21 743414593 RVLYZICANGOERS-UHFFFAOYSA-N 448.571 4.036 10 20 IICD Cc1ccc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 745665143 QLLMCKLWESERHS-GJZGRUSLSA-N 431.444 4.037 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc2)CC1 747963998 NAWFVTJVEVYSJR-NRFANRHFSA-N 435.616 4.343 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccnc(OC2CCCCC2)c1 749422630 LPVUDURSNWSJEQ-UHFFFAOYSA-N 440.613 4.346 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1F 753868351 VWFOMMOWEVQJBA-UHFFFAOYSA-N 438.459 4.034 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br 755175450 SJBBMSZFXCUAPD-UHFFFAOYSA-N 434.334 4.403 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 756157237 WYPHHFSWKNSENE-UHFFFAOYSA-N 438.753 4.156 10 20 IICD C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 765083147 YOEVSEAJYPHFIF-OAHLLOKOSA-N 426.554 4.087 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)cccc12 766743727 PIKYOTTWFIMQEH-UHFFFAOYSA-N 439.518 4.254 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c(c1)COC2 769162502 XCYFIDVKVIGNMP-LICLKQGHSA-N 430.576 4.398 10 20 IICD Cc1cc(CN(Cc2ccc(N3CCOCC3)cc2)CC(C)C)nc(N2CCCCC2)n1 769527103 OMZOWKLDWVBEAY-UHFFFAOYSA-N 437.632 4.270 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 769713972 RGSVBZFJUTZWDX-INIZCTEOSA-N 429.325 4.048 10 20 IICD C[C@@H](CCCC(F)(F)F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775491322 IDSPVKOWUJQLAJ-INIZCTEOSA-N 425.474 4.153 10 20 IICD COc1ccc(N2CCN(CCNC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 782439112 XQXVUYWSSAQJAX-UHFFFAOYSA-N 430.552 4.365 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1Br 783317590 WUZDNFJCVVFFNU-UHFFFAOYSA-N 432.362 4.199 10 20 IICD CN1C[C@@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc2C1=O 787102242 OHXRLLIWSJELQX-JOCHJYFZSA-N 442.475 4.453 10 20 IICD C[C@@H](NCCCCn1cc(Br)cn1)c1cc(Br)c(F)cc1O 794830144 ZIQAHCNNCXMCBG-SNVBAGLBSA-N 435.135 4.384 10 20 IICD COc1ccc(N2CCCN(C(=O)C3(c4cc(F)cc(Br)c4)CC3)CC2)cc1 795397647 GIPMIMJBKPCCQS-UHFFFAOYSA-N 447.348 4.367 10 20 IICD COc1cc(C)c(Br)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 795591217 AGKSPMGBSMTAGR-OAHLLOKOSA-N 433.346 4.094 10 20 IICD CC(C)(C)OC(=O)N1CCc2ncc(NCc3cccc(Br)c3O)cc2C1 798276641 LHXCOBNWSRYFEN-UHFFFAOYSA-N 434.334 4.455 10 20 IICD CO[C@@H](C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)c1cnn(C)c1 798398354 URCORBQYQACKRV-TZIWHRDSSA-N 446.473 4.419 10 20 IICD Cc1sc(NS(=O)(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)CCC(=O)N2 799186844 HYNQGKVWZZYFFS-UHFFFAOYSA-N 433.942 4.457 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 806191228 KBNJDBMYCNWVJG-UHFFFAOYSA-N 436.217 4.313 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)C[C@H](C)O1 806205664 FMDOKKUVOUOZCO-RYUDHWBXSA-N 425.316 4.029 10 20 IICD O=C(Cc1ccccc1I)NCc1cc(Cl)cc(Cl)c1O 807840362 AKLZTWYUEDHKLZ-UHFFFAOYSA-N 436.076 4.163 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)cc2)CC1 813062063 BJYSHMFALSHHHK-MHZLTWQESA-N 435.612 4.450 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@](CO)(c4ccccc4)C3)cc2Cl)C1 813159217 XVQLXOTZSQAFGP-DFBJGRDBSA-N 442.003 4.422 10 20 IICD CC(=O)c1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cs1 815710553 OVONCBHINZBDPT-GOSISDBHSA-N 431.558 4.013 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3c3cccc(F)c3)cc2F)C[C@@H](C)O1 917087173 UCVWUTWXFHQRTC-PMAPCBKXSA-N 443.538 4.032 10 20 IICD Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3O)c2)c1 917310024 FVJNHQLBFPEOJD-UHFFFAOYSA-N 444.940 4.427 10 20 IICD Cc1cc(CCNC(=O)CCC(=O)N2CCc3sccc3C2)c(C)n1-c1ccccc1 917626815 BPNXENZXIMPUPA-UHFFFAOYSA-N 435.593 4.179 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1F 917710602 KMAIHWFBHHFIDM-HZPDHXFCSA-N 440.494 4.003 10 20 IICD Cc1cc(CC(=O)NC2CCN(Cc3ccncc3)CC2)c(C)n1-c1ccc(Cl)cc1 918122154 SETWKHZTPJKERW-UHFFFAOYSA-N 436.987 4.466 10 20 IICD CCOc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OCC 918139903 HSHZQJIJJWKIMC-IAGOWNOFSA-N 430.520 4.167 10 20 IICD CC(C)(C)c1ccc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)[nH]c2c1 918372813 QCZCOLCKNRBFNG-LJQANCHMSA-N 432.568 4.097 10 20 IICD CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C 918801464 XCYILQFGWATSNP-HZHRSRAPSA-N 430.504 4.306 10 20 IICD COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1116277298 JWDJVNPDGKGWGL-JOCHJYFZSA-N 428.916 4.228 10 20 IICD O=C(Cc1csc(-c2ccccn2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565273 JRDSYPCOXQLHNP-UHFFFAOYSA-N 444.507 4.134 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OC[C@H]2CCCO2)cc1 726565945 IUIRIUFBWTVEFF-JOCHJYFZSA-N 446.494 4.245 10 20 IICD CCN(CC)CCN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 726713124 JWMZPXXGYOWEPS-UHFFFAOYSA-N 438.616 4.218 10 20 IICD Fc1cc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)ccc1N1CCOCC1 727466169 XTELQBURVPSRIA-JOCHJYFZSA-N 435.946 4.382 10 20 IICD O=C1/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1CCc1cccnc1 727863980 NYTMNOGASHWYJJ-VCHYOVAHSA-N 426.954 4.365 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)cc1 731327770 YGLYMROJLYHWIV-UHFFFAOYSA-N 428.540 4.242 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(CC)C(C)C)cc2)cc1F 731408046 CGPWNIOOPGPGRH-UHFFFAOYSA-N 428.552 4.162 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1F 731408546 PRSCWGHENMPANQ-UHFFFAOYSA-N 435.927 4.367 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3csc(C)n3)c2C)cc1 733581171 SUVDMUIAFBUSAK-UHFFFAOYSA-N 440.521 4.004 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 734937447 WLGATWRVGCOKAR-WJOKGBTCSA-N 443.613 4.234 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 735000457 CGOYTTJSOIQCBR-OALUTQOASA-N 425.548 4.278 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 736403294 RXCNTISJVPUTLY-SBUREZEXSA-N 445.991 4.124 10 20 IICD CC(C)c1nc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2o1 737111573 YQZQYXGKDXWCIK-UHFFFAOYSA-N 433.464 4.417 10 20 IICD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742417020 OMPBGWIORKAAAJ-SANMLTNESA-N 446.595 4.300 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)NC(=O)OC(C)(C)C)cc1 742755017 ULKCGPWENPQYRJ-CTNGQTDRSA-N 441.597 4.152 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)c1 743284059 IWRLCEYQZLJXPM-IDUWFGFVSA-N 446.916 4.474 10 20 IICD COc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743579609 RHOUXMOULHBKJP-KXBFYZLASA-N 447.482 4.088 10 20 IICD COc1cccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1O 745361214 UICGOQJJCQAMBJ-UHFFFAOYSA-N 446.482 4.392 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1cccc(Cl)c1Cl 746222399 IBUWDYSQIGPPBJ-UHFFFAOYSA-N 426.319 4.093 10 20 IICD C[C@H](Nc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 746803257 DKGOFJGMQPHESS-HNNXBMFYSA-N 437.475 4.298 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C 747748448 NTJVNTGJVMCHJG-UHFFFAOYSA-N 425.573 4.363 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1 748964857 CDODYVAPKRAAMD-UHFFFAOYSA-N 440.554 4.483 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnc2ccccc2c1C(F)(F)F 749405096 BGKVMPJUFNEFJU-UHFFFAOYSA-N 447.432 4.284 10 20 IICD COc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 749914495 ZPKCYKZISBXBDL-INIZCTEOSA-N 436.474 4.361 10 20 IICD COc1ccc(N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)cc1F 753856686 DZLGUBWQQWCTAY-UHFFFAOYSA-N 449.486 4.170 10 20 IICD COc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 756661152 YQHKTXUFGZDCCG-HNNXBMFYSA-N 430.501 4.192 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3c(Cl)cccc31)c2[N+](=O)[O-] 757438347 LNSQGGUNMCPLGK-UHFFFAOYSA-N 432.819 4.227 10 20 IICD COc1ccc(N2CCC(N3C(=O)N[C@](C)(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 761222328 METIIVYAPSQRHF-JOCHJYFZSA-N 448.350 4.438 10 20 IICD COc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC 762936087 FQLXGKLWEFWZEL-IBGZPJMESA-N 427.589 4.166 10 20 IICD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 768002961 GKIVVCIBPOURRM-UHFFFAOYSA-N 449.507 4.000 10 20 IICD Cn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(-c2cccs2)n1 769551493 MLTCIWKNAMKHFD-DHDCSXOGSA-N 427.532 4.253 10 20 IICD CN(c1ccc(CNC(=O)Cc2ccnc(O)c2Br)cc1)C1CCCCC1 772152161 QLIWBAQSOTZPTP-UHFFFAOYSA-N 432.362 4.178 10 20 IICD CSc1ccccc1CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 777406418 BQQWDWJTULRAMO-HXUWFJFHSA-N 443.613 4.399 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCn1cnc2sccc2c1=O 777822067 BLKHXTFCEMQPQI-QGZVFWFLSA-N 433.533 4.344 10 20 IICD CS(=O)(=O)c1cc(CNCc2cc(Cl)cc(Cl)c2O)cc(C(F)(F)F)c1 790601837 PJAMCLXLRLKCCF-UHFFFAOYSA-N 428.259 4.411 10 20 IICD CCOc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)N1CCCC1 796399653 WUDVPJUUEPQWLN-UHFFFAOYSA-N 445.368 4.494 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 797647458 HRXFEGSGUUWMOQ-MGPLVRAMSA-N 434.361 4.233 10 20 IICD Cc1c(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cccc1N1C(=O)CCNC1=O 800500028 OUHDZYWVKSVXNS-MRXNPFEDSA-N 442.947 4.104 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(C4(C)OCCO4)CC3)cc2Cl)C1 800718867 DULCNFYTPXJONX-QGZVFWFLSA-N 435.996 4.261 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1 802610364 WEFBYJBADRRSHF-UHFFFAOYSA-N 437.471 4.486 10 20 IICD O=C(NCc1cccc(Br)c1O)C1(c2cc(F)cc(Br)c2)CC1 803213596 UDKLXSDAYWDICN-UHFFFAOYSA-N 443.110 4.404 10 20 IICD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)sc2C1 806886049 KTBCAXJFGMTOIU-UONOGXRCSA-N 445.585 4.214 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(CN4CCCC4=O)c3)c2C)cc1 915201063 YGAZMOSUQKUFRE-UHFFFAOYSA-N 431.536 4.155 10 20 IICD Cc1cccc([C@@H]2CCCN2CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 917833737 NIWFPMASJKBMHU-SKPFHBQLSA-N 439.575 4.201 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)NCCc1cccc2cccnc12 919568493 CXPMMVQZYMCVBO-UHFFFAOYSA-N 433.533 4.220 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(OCCN3CCCC3)CC2)c1 1116160189 XLAIQLHZHRWMKK-UHFFFAOYSA-N 429.992 4.465 10 20 IICD Cc1cc(-c2nnc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)o2)c(C)n1-c1ccccc1 1261567627 SLBDDEHTQIHCPF-UHFFFAOYSA-N 438.465 4.123 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CCc3ccoc3)C2)cc1 1846676152 YZEJVVQNGKDPPK-UHFFFAOYSA-N 431.536 4.137 10 20 IICD Cc1ccccc1CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 21728946 DYIDILYKRJOJLW-JOCHJYFZSA-N 435.593 4.489 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCc1ccncc1 237392402 XOONNJMKZOYCLM-HXUWFJFHSA-N 433.552 4.357 10 20 IICD Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c(C)n2n1 303229272 UXXSOGBHWGAYIF-UHFFFAOYSA-N 447.505 4.244 10 20 IICD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 437017957 LCKHDZXQSDDKJD-KRWDZBQOSA-N 447.373 4.136 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@H](C)c4cccc(OC)c4)CC3)ccc21 505547466 QQNMEDXUOUQMRD-OAQYLSRUSA-N 449.595 4.432 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OC)cc3C(=O)NC3CC3)ccc21 730198202 RYVSSLFXZKFGBK-UHFFFAOYSA-N 435.524 4.058 10 20 IICD CCc1ccc(-n2nc(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)c3c2CCC3)cc1 730747706 YFLQCTWPAKDEQT-UHFFFAOYSA-N 444.579 4.285 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 731280948 IZKLRTNORGEZHI-UHFFFAOYSA-N 438.616 4.225 10 20 IICD O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCCSc1nccs1 733972896 NZAWVJDDOKTARJ-UHFFFAOYSA-N 438.578 4.370 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(CNC(=O)OC(C)C)cc3)CC2)cc1 735178339 RAPUVNCGGDLRTA-UHFFFAOYSA-N 440.544 4.120 10 20 IICD CN(CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccc(N2CCOCC2)cc1 735562353 JALZHRATTYQUDT-MHZLTWQESA-N 427.397 4.070 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCN2C(=O)CCc3ccccc32)cc1 737544172 KPDGYIZGTLUVHJ-UHFFFAOYSA-N 433.474 4.013 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 740801113 OVJRCWMRLCWKIX-UHFFFAOYSA-N 427.570 4.104 10 20 IICD Cc1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)cc1C 741079930 TWPPNMMZZCXWAB-UHFFFAOYSA-N 425.548 4.278 10 20 IICD C[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(N2CCOCC2)cc1 742584157 VKXFRILKCKNAEO-INIZCTEOSA-N 427.520 4.138 10 20 IICD CC1CCN(c2ccc(CNC(=O)COc3ccc(C=O)cc3Br)cc2)CC1 742649523 NPFMMYKKVFAGMT-UHFFFAOYSA-N 445.357 4.193 10 20 IICD CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 743087918 BKRZZXJSBFYLBR-QGZVFWFLSA-N 432.471 4.345 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F 743096392 BBHLQXQZLROMOE-UHFFFAOYSA-N 443.244 4.274 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)cc1 743193411 MXLLNKLGPJBIKG-UHFFFAOYSA-N 429.517 4.001 10 20 IICD COc1cc(OC)c2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)[nH]c2c1OC 743431351 XIDWZMOUSUHQEV-UHFFFAOYSA-N 436.464 4.335 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 745884036 XACMJTHUDNPMIW-CQSZACIVSA-N 437.334 4.162 10 20 IICD CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 748526899 FCPHZSXRKDKAPW-HSZRJFAPSA-N 438.572 4.104 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)ccc1F 749011296 SQGQRSTZPWKEOA-UHFFFAOYSA-N 441.456 4.295 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C\c2cnccc2C)cc1 752101615 HVAWNYGAEYQCJC-RAXLEYEMSA-N 429.520 4.047 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cc1 759501986 BYTNYYMXYDGXFU-UHFFFAOYSA-N 425.435 4.078 10 20 IICD C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238073 OZWXUGVUNNPNNN-HUUCEWRRSA-N 438.906 4.312 10 20 IICD Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)c(O)c1O 770484956 VVQXSSGEKWWMRX-UHFFFAOYSA-N 442.269 4.068 10 20 IICD CCOc1ccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)cc1OC 772778088 ZNJSGBWQMILIDH-WEVVVXLNSA-N 427.478 4.385 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3cc(C)nn3-c3ccccc3)CC2)cc1 773055207 RMHAAODGPYFXQK-HXUWFJFHSA-N 447.583 4.042 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1 775208626 NUEIZHXZKZAUPD-UHFFFAOYSA-N 431.539 4.358 10 20 IICD CCOc1cccc(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1O 775317917 AQBKINAUXKUSMG-UHFFFAOYSA-N 432.476 4.078 10 20 IICD COc1ncc(/C=C/C(=O)N(CC(F)F)c2c(C)cc(Br)cc2C)cn1 776364053 AMEYVIXRPYLEKM-SNAWJCMRSA-N 426.261 4.176 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1nc(-c2ccccc2)ccc1=O 777823867 ZDEFGDVZCJFXJI-HXUWFJFHSA-N 439.515 4.406 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 783318206 WBXHHAPMWHQGGO-UHFFFAOYSA-N 440.544 4.391 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 785542440 BLTMIFFWYOHHIF-UHFFFAOYSA-N 428.944 4.421 10 20 IICD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 789429315 VJQMGFGBFOLFCA-HZPDHXFCSA-N 430.480 4.286 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806807379 YPCABIMHAKKINV-UHFFFAOYSA-N 439.535 4.400 10 20 IICD COc1cccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1O 807251042 IUFOHFIRLMLGPU-LJQANCHMSA-N 438.446 4.387 10 20 IICD O=C(Nc1cccc(C2OCCO2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 808852842 ZAUIZIHCFHOEBY-QGZVFWFLSA-N 433.455 4.124 10 20 IICD Nc1c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cnn1-c1ccccn1 815307973 GCBKGTLAXGUMLT-UHFFFAOYSA-N 441.451 4.060 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](c1ccccc1)c1ncc[nH]1 816940768 MJSMDOZLXZRMPF-GOSISDBHSA-N 428.330 4.449 10 20 IICD Cc1cc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 817638379 FYBHLIOAKXDBCD-UHFFFAOYSA-N 431.945 4.300 10 20 IICD COCCNC(=O)c1ccc(Cl)c(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 864003510 BUQXRZFCIMUVHO-UHFFFAOYSA-N 446.935 4.227 10 20 IICD Cc1cc(CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)c(C)n1-c1ccccc1 915690851 XDFVREHWYDOPGD-UHFFFAOYSA-N 432.524 4.411 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc(N2CCSCC2)cc1 915930637 FISLRZNSEJKJAM-UHFFFAOYSA-N 435.597 4.042 10 20 IICD O=C(CCSc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 919863696 TWQQHLBEZZKQLI-UHFFFAOYSA-N 435.387 4.084 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3cccc(Br)c3)CC2)cc1 920420271 VRCKZPLDSHSSOX-QGZVFWFLSA-N 446.389 4.311 10 20 IICD COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1 921234718 BKSYVAPCKQJCML-UHFFFAOYSA-N 443.506 4.324 10 20 IICD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1cccs1 1791815459 OVOLSWOOUGQEFN-CQSZACIVSA-N 437.521 4.106 10 20 IICD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 10191921 YVPYJJDAONNPML-UHFFFAOYSA-N 425.416 4.245 10 20 IICD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1Cl 58659208 CRSHCTHAMXQUKD-UHFFFAOYSA-N 436.942 4.179 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccccc1 210667037 CLMDWGGVKDICRI-XNTDXEJSSA-N 433.352 4.289 10 20 IICD CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\CCn2c1nc1cc(Cl)ccc1c2=O 213518217 UACXBSINFXPRPT-NTCAYCPXSA-N 446.894 4.357 10 20 IICD C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1O 216484635 JCHRCLCWTZNKEM-IBGZPJMESA-N 443.547 4.486 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(COCc3ccco3)c2)n(C)c2ccccc12 472798530 YYYWWMMDVZQCIS-UHFFFAOYSA-N 431.492 4.051 10 20 IICD COCCOc1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)ccc1OC 482782114 OWWTUEYRWNHGSJ-UHFFFAOYSA-N 426.513 4.191 10 20 IICD Cc1c(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)n(C)c2ccccc12 507996501 BNPDBUAADSVNKG-RDPSFJRHSA-N 432.499 4.206 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)ccc1N1CCCCC1 727030484 RPJWVFGPDKDKDX-UHFFFAOYSA-N 440.563 4.346 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 728839024 UVTNBWXPIDZLDA-FQEVSTJZSA-N 449.473 4.227 10 20 IICD CC(C)COc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 730676423 WKQWQBOGROABIY-UHFFFAOYSA-N 425.573 4.293 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 731279030 UIXNANAKCVYCHS-GOSISDBHSA-N 447.601 4.106 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](c3cccc(Cl)c3)N(C)C)cc2F)C[C@@H](C)O1 731870153 FEESTDBUSLAXOI-MCFFVMPBSA-N 433.955 4.012 10 20 IICD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 732910992 NBWPTAHFNCLUIX-UHFFFAOYSA-N 441.494 4.013 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 732911034 NPZHIRZANKJWSI-UHFFFAOYSA-N 446.941 4.459 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)CC2)cc1 733637913 OZNDMLLNWJGWAF-UHFFFAOYSA-N 439.903 4.285 10 20 IICD O=C1[C@@H](NCc2cc(Br)ccc2O)CCN1c1ccc(C(F)(F)F)cc1 733800540 YMTBIDHOAOKYLN-HNNXBMFYSA-N 429.236 4.069 10 20 IICD C[C@H](NC(=O)c1csc(Cc2ccccc2F)n1)c1ccc(N2CCOCC2)cc1 735435442 VRRVWTQPFDUJEO-INIZCTEOSA-N 425.529 4.201 10 20 IICD O=C(c1csc(Cc2ccccc2F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735519678 RVLLNJOABXKCDL-GOSISDBHSA-N 426.513 4.400 10 20 IICD COc1cc(N(C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 741795792 QTCLMDSIFSBWEP-UHFFFAOYSA-N 431.489 4.050 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)NC(=O)OC(C)(C)C)cc1 742750381 MLUOVBXGAANMRA-NRFANRHFSA-N 440.519 4.369 10 20 IICD O=C1CCC(=O)N1Cc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743088688 DVMKBXXZLGWDGT-UHFFFAOYSA-N 435.524 4.408 10 20 IICD Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 743104764 LTHJXKMXWUUZEM-HNNXBMFYSA-N 443.454 4.437 10 20 IICD CO[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cccc(Cl)c1 743555327 VXXZWLFQTXXZGB-DMPWYTOCSA-N 449.954 4.280 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1Cl 743735068 CNKZDPUSYVQBQP-LBPRGKRZSA-N 425.819 4.248 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 745494999 CIXHIVNMZWCZRH-IYBDPMFKSA-N 426.399 4.054 10 20 IICD CCc1cccc(NC(=O)CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 748461178 JBGHCRHTCITRSI-UHFFFAOYSA-N 434.540 4.259 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)c(C)c1 751126209 HOIWXSWGQYHXCN-UHFFFAOYSA-N 425.535 4.378 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 751932827 YOUZEEXXMILNBB-UHFFFAOYSA-N 435.427 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 752559930 NNIUANYOFARONE-MRXNPFEDSA-N 441.366 4.197 10 20 IICD C[C@@H](NC[C@]1(N(C)C)CCSC1)c1cc(Br)cc(Br)c1O 756635073 DHNHCWZZWRQVAB-MEBBXXQBSA-N 438.229 4.005 10 20 IICD Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 758809921 QOMSJCKIZXMTQY-MJGOQNOKSA-N 426.561 4.255 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1Cl 765117207 CJDXSSBCDTYOQM-KRWDZBQOSA-N 433.955 4.003 10 20 IICD CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccc(F)cc2O1 765677809 IRUGQUYEXUTDBC-FQEVSTJZSA-N 429.561 4.481 10 20 IICD Cc1nc(COc2ccccc2C(=O)NCc2cccc(Br)c2O)cs1 765731722 KVYGUPUIVAQZKN-UHFFFAOYSA-N 433.327 4.429 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)CC1 767381666 HVUFJYCWAWYOAK-UHFFFAOYSA-N 440.975 4.250 10 20 IICD CN(C)Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc2ccccc12 768916642 RYZHRFLOLCNMMV-GOSISDBHSA-N 441.959 4.248 10 20 IICD COc1ccc(Cl)cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769587209 UNSFAAGNMQXKCG-UHFFFAOYSA-N 438.914 4.169 10 20 IICD CCN(CCC1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1)CC(C)C 774193615 UEKIUKJCWXIBPE-UHFFFAOYSA-N 444.664 4.454 10 20 IICD C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 776237798 IRFOQXVGCUFXMG-DVECYGJZSA-N 430.552 4.363 10 20 IICD COc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1OC 776743959 OASADVLIQUCLCF-UHFFFAOYSA-N 442.518 4.487 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccccc2CN2CCC(O)CC2)c1O 779027718 SZZOAJOXHDFZIV-INIZCTEOSA-N 433.390 4.271 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnc(-c2ccccc2)nc1 780704882 VCCSTNRPNRCIDN-UHFFFAOYSA-N 430.461 4.346 10 20 IICD CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 782950865 VIHOXPQMHPIECV-OAHLLOKOSA-N 434.370 4.077 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1Cl 783320286 MNRSEZPPZKOIPJ-UHFFFAOYSA-N 427.932 4.034 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)cc1 792209039 ATFITMIRHXSNIC-UHFFFAOYSA-N 438.753 4.204 10 20 IICD CN(C)c1ccc(CNc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c(C(F)(F)F)c1 792866760 BTXVBSJRSISLPE-SFHVURJKSA-N 434.506 4.081 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Br)cc1Br 797607274 NCTDIBMXGJLSQB-SECBINFHSA-N 444.123 4.376 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)cc2F)C[C@@H](C)O1 798057214 JCJSVSDFHJHCQM-PSBWJHGTSA-N 429.511 4.324 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)C2CC2)cc1 806856264 FWJIXCXWZCUCOZ-UHFFFAOYSA-N 444.507 4.430 10 20 IICD C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807290364 VYOGAUNLLAKAKC-OAHLLOKOSA-N 432.351 4.205 10 20 IICD COCc1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 811823431 RZDRZWJBORBJLF-UHFFFAOYSA-N 439.902 4.319 10 20 IICD Cc1ccc(CCCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)c1 823228344 WPZRZEHCCKKYBO-UHFFFAOYSA-N 442.471 4.350 10 20 IICD COC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CCCOC(C)C 846564415 GUBPZUMLRDEPKY-UHFFFAOYSA-N 427.364 4.393 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 857758326 FTSTXUUBTCLPGN-GOSISDBHSA-N 438.572 4.103 10 20 IICD Cc1nc2ccc(NC(=O)C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2s1 915748537 HMTDHSJOOOJELN-UHFFFAOYSA-N 432.549 4.310 10 20 IICD Cc1ccccc1C[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917717224 HTQKYPRGFSUQDY-OAHLLOKOSA-N 428.444 4.040 10 20 IICD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 917877734 DWIVXUOGEILVPS-UHFFFAOYSA-N 441.437 4.429 10 20 IICD O=C(NCCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 918156170 MMCMZRFMWQADDE-UHFFFAOYSA-N 440.346 4.136 10 20 IICD CN(C)C(=O)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 920206378 SWLSXNHPTHEFPS-QFIPXVFZSA-N 443.507 4.376 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 28495106 RDIPQJJVZBQORD-UHFFFAOYSA-N 435.528 4.473 10 20 IICD COc1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1-n1nnnc1C 110369705 AOQBRAPZRBGTGZ-UHFFFAOYSA-N 436.903 4.293 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)CC2)cc1 110422023 QNECWROEKGQYOV-NRFANRHFSA-N 429.586 4.116 10 20 IICD Cc1cc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c(C)n1-c1ccc(C(C)C)cc1 110837474 MGSASSNFHNVSTF-UHFFFAOYSA-N 446.551 4.075 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 726103194 LAFJDJTXQKPUEX-AZUAARDMSA-N 432.609 4.368 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC1=S 727176466 KYDSJHGXCBFNBU-GEBKJHSDSA-N 434.627 4.033 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cccc2c1OCCO2 727249379 XOIANWNTZUYGGD-UHFFFAOYSA-N 442.440 4.401 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727931344 VPLUXXRTIXEMLG-QZTJIDSGSA-N 435.351 4.365 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 728979193 ZNEFECZOYBQFQU-GFCCVEGCSA-N 430.302 4.148 10 20 IICD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 731014724 HLPCUOFBDUEBGM-UHFFFAOYSA-N 433.600 4.379 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nc(O)c2sccc2n1 731036948 UROIIWOYKTZNCP-UHFFFAOYSA-N 426.542 4.374 10 20 IICD CC(C)(C)OC(=O)NC(C)(C)c1noc(CN(Cc2ccco2)Cc2ccccc2O)n1 731843881 AOKIRIFWRIHQEP-UHFFFAOYSA-N 442.516 4.330 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCCN3CCN(c4ccccc4)CC3)cc2)CC1 732290285 MMLWRVWVGZXSKF-UHFFFAOYSA-N 434.628 4.142 10 20 IICD CC(C)C[C@H]1COCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 733772902 ZEIMQWLQEFLDTE-YSKWHIJTSA-N 438.640 4.003 10 20 IICD COCCN(C(C)=O)c1nc(COC(=O)c2cc(C)ccc2-n2c(C)ccc2C)cs1 733823575 CQGDBEXDHLDHND-UHFFFAOYSA-N 441.553 4.215 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1Br 742806243 QWAKXCLNQIJHFC-CYBMUJFWSA-N 425.273 4.449 10 20 IICD C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 747304189 SKLXZORWVLJLFQ-HNNXBMFYSA-N 431.499 4.147 10 20 IICD CCc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nn1-c1c(Cl)cccc1Cl 748706030 YXETWNTXBNRCNC-UHFFFAOYSA-N 432.355 4.475 10 20 IICD O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccc(N2CCC(CO)CC2)cc1 753824374 JJAAOEOKJACBOP-UHFFFAOYSA-N 439.556 4.017 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c(C)n1-c1ccccn1 755694079 MUXZBXDHTHGPRT-FQEVSTJZSA-N 442.519 4.270 10 20 IICD COc1cc(OC)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 755832141 ALAZIXJBYXMDGS-ZDUSSCGKSA-N 439.434 4.235 10 20 IICD C[C@H](NCc1ccc2c(c1)OCO2)c1cc(Br)cc(Br)c1O 756342554 KPSAPVQHZRTGHD-VIFPVBQESA-N 429.108 4.497 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 756515646 NMEAHJISRTUDBL-QGZVFWFLSA-N 435.524 4.149 10 20 IICD C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)c(F)cc1O 756797679 ULPPGQUNNQOSLI-LLVKDONJSA-N 429.311 4.007 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)cc1 760310888 GSBUAINEOIDTAF-UHFFFAOYSA-N 443.550 4.239 10 20 IICD Cn1ccnc1[C@H](O)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 760882306 ZEEGCGFCKRVFJO-HSZRJFAPSA-N 432.528 4.220 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N2CCOCC2)c(F)c1 765703367 IAGYDHATAWQFFZ-APWZRJJASA-N 448.380 4.354 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(OC(C)(C)C)n3)cc2F)C[C@@H](C)O1 767199139 RAFUUDVOGDWUBQ-IAGOWNOFSA-N 444.551 4.011 10 20 IICD CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccn2)cc1 768412131 MCZPXDKKWWWGED-UHFFFAOYSA-N 448.504 4.114 10 20 IICD COc1cc(Br)cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1O 769333119 PBGBIQVMNVVMKN-QGZVFWFLSA-N 444.272 4.338 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 771134673 HVCOFLFPBCTQHU-AUSIDOKSSA-N 428.548 4.461 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1)c1ccc(N(C)C)cc1 773847645 RSSJVUHGQIXBHL-QGZVFWFLSA-N 435.499 4.287 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccc(C(F)(F)F)c1 774925219 VEZWBJCMENHKCZ-OAHLLOKOSA-N 433.474 4.140 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cccc(C(=O)OC(C)(C)C)c2)SC1=S 777874881 HXEGNAYAZWFZGO-SFQUDFHCSA-N 434.627 4.431 10 20 IICD Fc1cc(Cl)ccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 782523585 YPSWGGKZFQVDIH-UHFFFAOYSA-N 429.902 4.025 10 20 IICD CC(C)n1nc(-c2ccco2)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 788836522 QJVUVXWVVGTEOV-UHFFFAOYSA-N 437.544 4.254 10 20 IICD Cc1oc2c(CN3C[C@@H](C)OC4(CCOCC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 790383666 FJVAGAFGPSMYLK-QGZVFWFLSA-N 435.520 4.244 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCc2ccc(F)cc2)C1=O 790590588 MDENKZAQXPUFQN-ODLFYWEKSA-N 433.526 4.295 10 20 IICD COc1ccc(CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(O)c1 792827497 DOEWFLZITDDGEG-OAQYLSRUSA-N 434.471 4.130 10 20 IICD O=S1(=O)CCN(c2ccc(CNCCCCc3cccc(C(F)(F)F)c3)cc2)CC1 792978515 WCRGQMKASVHSSA-UHFFFAOYSA-N 440.531 4.053 10 20 IICD CCNC(=O)COc1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796271301 MXMWHAMFUAHTHB-UHFFFAOYSA-N 429.564 4.054 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccncc1OCC(F)(F)F 798523541 LMRWTWPMASAHKH-UHFFFAOYSA-N 436.478 4.355 10 20 IICD CN(C)Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1Cl 799260663 STULRQCMJGJXRB-UHFFFAOYSA-N 443.975 4.407 10 20 IICD C[C@@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(N2CCOCC2)cc1 800563346 ZUAWJVNDWFREJS-MRXNPFEDSA-N 448.489 4.284 10 20 IICD CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1nc(C)cs1 804886076 KGJWJUNUOGZVDW-KBXCAEBGSA-N 449.020 4.225 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1)c1ccc(N(C)C)cc1 805308958 INXMLMCANVCQRI-REWPJTCUSA-N 436.600 4.127 10 20 IICD CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 806669693 WORGWUYQHNDVLF-UHFFFAOYSA-N 432.348 4.145 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2cc(Cl)cc(C)c2O)N2CCOCC2)cc1OC 808672206 GNGJACLAVACSQC-OXJNMPFZSA-N 434.964 4.095 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1nccc2ccccc12 810212363 ADDRKJPMGQZWDV-LJQANCHMSA-N 442.542 4.341 10 20 IICD CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 812212765 ZRJAGTXMRRDBGK-HUUCEWRRSA-N 435.956 4.056 10 20 IICD O=C(Nc1ccc(-c2nc(-c3sccc3Br)no2)cc1)C1=S=CC=C1 904889090 XNFNFFGAGKJYFG-UHFFFAOYSA-N 432.324 4.444 10 20 IICD Cc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 916968611 YFUFOARCWLSDPN-REHUZNOOSA-N 439.575 4.201 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OCCOC)c3)SC2=S)cc1 917641876 CIKPQFSXAPVROA-RGEXLXHISA-N 443.546 4.294 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2F)C[C@@H](C)O1 917711168 LRKLDHJZYMWCRC-OKILXGFUSA-N 426.410 4.268 10 20 IICD CCN(CC)C(=O)c1cccc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)c1 919803103 SIKIAZBLTWRCNX-UHFFFAOYSA-N 431.483 4.161 10 20 IICD Cc1cc(-c2nnc(Cn3cc(Br)ccc3=O)o2)c(C)n1-c1ccccc1 1257653051 ZQPGPGPGFKXTFP-UHFFFAOYSA-N 425.286 4.117 10 20 IICD O=C1/C(=C\c2ccc(-c3ccccc3)s2)SC(=S)N1CCCN1CCOCC1 1317742280 AWCPJZGRXSVXOD-XDJHFCHBSA-N 430.620 4.339 10 20 IICD CC(C)=CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753933 HLLIHUUJZQWQKS-HHHXNRCGSA-N 449.595 4.284 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(Br)ccc2o1 106128822 LBUUKJGVXURPJO-UHFFFAOYSA-N 429.314 4.304 10 20 IICD C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 109182988 YFFCWWFHNXMLAQ-OAQYLSRUSA-N 430.548 4.370 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)c1Cl 327984315 QNLRVXOHEQIQAF-UHFFFAOYSA-N 427.701 4.008 10 20 IICD COc1cccc(S(=O)(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c1 727243641 SUXYQGFRVJRHRI-KRWDZBQOSA-N 447.582 4.217 10 20 IICD O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(N2CCOCC2)c(F)c1 727264037 MIBIHKIFYJGMCW-PTNGSMBKSA-N 445.416 4.335 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1 727592027 FDENRYVAXOJSDA-UHFFFAOYSA-N 437.588 4.279 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 728979634 JTLNGZRSXGKXBS-INIZCTEOSA-N 440.521 4.001 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cc(Br)ccc3C)cc2F)CC1 730133210 LZUKOOOWYVGONC-UHFFFAOYSA-N 449.368 4.360 10 20 IICD CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731015415 RJEMBKWBUKVUPQ-UHFFFAOYSA-N 429.586 4.005 10 20 IICD CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)COC(=O)c1cc(O)cs1 732354484 NUSFHHMUYMQCSL-UHFFFAOYSA-N 425.506 4.238 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@@H]1CCCO1 735328395 ANOXOFAVTNTEBL-WMEYIKMASA-N 442.562 4.418 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OC4CCOCC4)c(C)c3)CC2)cc1 738960465 NZKDCOZCHFNAAO-UHFFFAOYSA-N 439.556 4.352 10 20 IICD O=C(CCSCc1nc(O)c2ccccc2n1)NCc1ccc(N2CCCCC2)cc1 739714014 YSZLXYQWJNOZDP-UHFFFAOYSA-N 436.581 4.265 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCSCc2nc(O)c3ccccc3n2)cc1F 739721918 NXKHTXKFGLQWGQ-UHFFFAOYSA-N 442.560 4.260 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CC[C@@H](Cc3ccccc3)C1)c2[N+](=O)[O-] 741585705 ACHOILAMFJMQAT-KRWDZBQOSA-N 440.455 4.075 10 20 IICD CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 741665944 SFBJKQLVJQUAOR-HSZRJFAPSA-N 429.511 4.181 10 20 IICD Cc1cc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)n(-c2ccccc2F)n1 741784640 LMNGFOKOEXOANP-UHFFFAOYSA-N 434.471 4.259 10 20 IICD O=C(c1cccnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1 742400664 IGYXODOSUITYMC-UHFFFAOYSA-N 430.499 4.390 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Oc1ccccc1Cl 743554992 NYRCPZYBSPFSLB-BRWVUGGUSA-N 449.954 4.359 10 20 IICD COc1ccc(Br)c(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1 747690631 PNRVVIOKJQIQOR-GXDHUFHOSA-N 444.372 4.304 10 20 IICD CCS[C@@H]1CCCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 748039601 NYGPRHPCDBGMDE-OAHLLOKOSA-N 440.612 4.002 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCC(N2CCCCC2)CC1 751112411 LASNBUIEMIODNL-UHFFFAOYSA-N 438.410 4.483 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1F 753152517 XVHBEFSFIHRNOX-GOSISDBHSA-N 428.556 4.147 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)cc1 755058040 DMGRNEHTDVHKQO-DQEYMECFSA-N 443.680 4.011 10 20 IICD C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1O 756587555 BBLMMPLATHECAD-LBPRGKRZSA-N 430.339 4.197 10 20 IICD C[C@@H]1C[C@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c2c(O)ccc(F)c21 756606754 BCWCSZSSSVDBSN-PBHICJAKSA-N 438.590 4.148 10 20 IICD COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 760309165 PQOUNVRYBFRKRU-KBMIEXCESA-N 446.551 4.077 10 20 IICD O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1ccco1)Cc1ccccc1O 760830044 BUVBCXMGSDZUCF-UHFFFAOYSA-N 431.242 4.499 10 20 IICD CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Br)sc1Cl 761995271 JJJSTECGPDYUNN-UHFFFAOYSA-N 426.741 4.458 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(NC(=O)c2ccco2)cc1 765227296 ORDQADWTXRGDHI-UHFFFAOYSA-N 430.258 4.322 10 20 IICD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 766248522 LYFYCNARQOGEBW-UHFFFAOYSA-N 438.528 4.235 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc2cc(Br)ccc2[nH]1 767332831 QOTULCZIOQUJSA-UHFFFAOYSA-N 425.330 4.306 10 20 IICD CC1(c2ccccc2)CCC(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 769039342 ZBQWTXDZQPSLLE-YDOZCGBKSA-N 448.611 4.088 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2cccc(F)c2F)CC1 771300628 BQTOOACGQWVBCI-UHFFFAOYSA-N 447.501 4.154 10 20 IICD Cc1ccc(CNC(=O)c2nnc(CN(Cc3ccc(N(C)C)cc3)C(C)C)s2)cc1 771791604 PJISJALJEBEOMU-UHFFFAOYSA-N 437.613 4.253 10 20 IICD C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(N(C)C)cc1 773027428 VYYDPLQMORWXHO-GFCCVEGCSA-N 437.853 4.497 10 20 IICD O=S1(=O)CCCN1c1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1F 775359225 YYVJMRXADSIFDV-UHFFFAOYSA-N 426.513 4.028 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2)CC1 776301834 DUQUJDIPXJUVMM-UHFFFAOYSA-N 448.953 4.469 10 20 IICD CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1C 783484626 FTCDCMSUFJKKGW-QGZVFWFLSA-N 430.508 4.269 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 785816451 YMVZDHMVPYXOHX-HNNXBMFYSA-N 444.482 4.143 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1nc(Br)ccc1Br 790773499 YPEIBNFKYQQKAH-UHFFFAOYSA-N 428.124 4.365 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNCc2noc(-c3cccc(Br)c3)n2)c1O 790944778 FAEDEDFTAGUIBL-UHFFFAOYSA-N 439.653 4.056 10 20 IICD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 793408733 ZMHQQKXUBPOTOO-UHFFFAOYSA-N 429.561 4.028 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 797626371 WDCRFOAACNXEIZ-HNNXBMFYSA-N 441.528 4.144 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C[C@H]4CCCO4)CC3)cc2Cl)C1 799994625 SLXLUYPSFNYITM-WIYYLYMNSA-N 449.039 4.019 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(c2nc(C)no2)CC1 801977681 QDCCYEXNSQLIEU-UHFFFAOYSA-N 431.544 4.448 10 20 IICD CN(c1ccc(CNC(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1)C1CCCCC1 805010659 AANDNMULVVWFGF-SSEXGKCCSA-N 427.614 4.333 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1F 806893516 ZNJRSUQHTLFXQK-UHFFFAOYSA-N 444.507 4.189 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807670795 INOYYEIWOKCWAJ-PMPSAXMXSA-N 435.490 4.257 10 20 IICD COc1ccc(-c2ocnc2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 808282083 XHQUEAFILWVJBN-IYBDPMFKSA-N 439.487 4.033 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 808865434 QUWFHNSAANTHAO-UHFFFAOYSA-N 441.915 4.064 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CCC[C@@H]5CCCC[C@H]54)n3)CC2)cc1 809464628 JFKLIWLACCJFHB-VLCRHTCISA-N 438.572 4.043 10 20 IICD C[C@H](NC(=O)Nc1nc(Sc2ccccc2)ns1)c1ccc(N2CCOCC2)cc1 809882068 QUTRZCDXMZSNBX-HNNXBMFYSA-N 441.582 4.409 10 20 IICD CC[C@H]1[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C 813043990 OXSYRXOQEZWPON-WMZOPIPTSA-N 435.528 4.370 10 20 IICD COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 844255961 SOCQMQNHPDITGI-UHFFFAOYSA-N 439.902 4.490 10 20 IICD O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)s2)SC1=S 914786698 NITGUKQYEMKLBL-NTUHNPAUSA-N 440.365 4.463 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(OC)c3ncccc23)n1 917861456 UNJYIZVIYNBCRZ-UHFFFAOYSA-N 441.534 4.485 10 20 IICD COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 918119282 RLLFTMZMAIFVQY-UHFFFAOYSA-N 439.556 4.219 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](Cc1ccccc1)c1ccccc1 918186730 IDSIYOYSKNJJLO-DEOSSOPVSA-N 433.527 4.446 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3OCc3ccncc3)cc2F)C[C@H](C)O1 918635976 ZWOAJPMNWTYOMG-OALUTQOASA-N 449.526 4.343 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1OCc1ccncc1 919895876 XNNUNHWWEXRLFF-UHFFFAOYSA-N 442.563 4.445 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)CC2)cc1 1323330740 AWQKOSLZTAJVJT-JOCHJYFZSA-N 445.604 4.208 10 20 IICD CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1C1CC1 17827722 UHOYTTOULPNSTD-ZDUSSCGKSA-N 446.532 4.070 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1C 110912797 QSIZLCAAUBOXBE-QFIPXVFZSA-N 444.579 4.352 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)n(C)c2ccccc12 501433394 BXYFYRJVFBZRAO-AWEZNQCLSA-N 433.430 4.071 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 560843423 KUMIBGJZMJOMTI-KRWDZBQOSA-N 442.581 4.189 10 20 IICD CN(c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1)C1CCCCC1 726237244 WUMRPMXWDGXLJL-UHFFFAOYSA-N 436.600 4.292 10 20 IICD O=C(CCc1nnc(-c2ccsc2)o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566174 RWLLQKSHKFLEBY-UHFFFAOYSA-N 448.495 4.117 10 20 IICD COc1cccc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 727242108 QOSDXRXSNDLWQE-UHFFFAOYSA-N 425.329 4.382 10 20 IICD CCc1noc(-c2ccc(CCNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)n1 727945152 WJHXKELRSXLJKO-UHFFFAOYSA-N 433.556 4.282 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1 729279795 CLOKFCVSYJVKNS-QGZVFWFLSA-N 431.492 4.427 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3cccc(CN4C(=O)CSC4=O)c3)cc2)CC1 731016043 CRBOUHYNABAXGX-UHFFFAOYSA-N 437.565 4.048 10 20 IICD Cc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1N1CCCS1(=O)=O 740850116 UGPHPADEDPJMMK-UHFFFAOYSA-N 429.567 4.256 10 20 IICD COC(=O)c1cc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1OC 745540703 HNCDVSQTFADOEX-UHFFFAOYSA-N 426.513 4.232 10 20 IICD CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(NC(=O)/C=C\c2cncc(F)c2)cc1F 747875999 AWUUVNBTNDYBIJ-PORYWJCVSA-N 438.409 4.222 10 20 IICD CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406334 OJNDXNLMEOVDJX-SXAWMYDMSA-N 426.532 4.294 10 20 IICD Cc1cccc([C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(C)(C)C)c1 749556181 XLJOMMOMQNVKTI-GGAORHGYSA-N 436.600 4.283 10 20 IICD CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 749577342 XEMLMALRVOWRJN-UHFFFAOYSA-N 428.577 4.040 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccc(OC(F)F)cc2)cc1 750875110 QSHCSBKWSSPNEP-QFIPXVFZSA-N 432.511 4.494 10 20 IICD CC(=O)c1cc(F)cc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1O 755155470 FQAXIYMEPAQBLX-SNVBAGLBSA-N 434.265 4.397 10 20 IICD C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1ccc(OCC(=O)NC2CC2)cc1 756432348 QOFVKICLMBFHLU-KBPBESRZSA-N 433.346 4.224 10 20 IICD C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1cc(Br)cc(F)c1O 756602210 DEWGVHGTIJAQBW-LBPRGKRZSA-N 427.289 4.120 10 20 IICD C[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(Cl)c1O 756608894 QYIBQXAQCCXFON-VBKZILBWSA-N 439.781 4.096 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H]3CC4(CCC4)Oc4ccccc43)CC2)cc1F 757786983 FGPJUPQEHZTWCD-HXUWFJFHSA-N 425.504 4.112 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 758417242 XDSYQQOZHGHZKR-FDIDITGRSA-N 429.519 4.041 10 20 IICD COCCn1cc2c(n1)[C@@H](NC(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCC2 759248048 ZWCAYPNTGKVWHG-QHCPKHFHSA-N 439.604 4.175 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)c2cnn(CC)c2)sc(C)c1-c1ccc(F)cc1 759779820 QWUVMSNXTKKVCG-UHFFFAOYSA-N 429.473 4.077 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C(C)C 766575833 GVYWLVCDTPTCJH-UHFFFAOYSA-N 438.528 4.129 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)nc1-c1ccccc1 767672560 UVZYXMWTZMVBND-OAHLLOKOSA-N 448.541 4.474 10 20 IICD O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 767965524 XUUAVSFBCHVUIE-BDTNDASRSA-N 427.495 4.142 10 20 IICD Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnn1-c1ccc(-c2ccccc2)cc1 773762102 KEIUSXVRLLIULH-INIZCTEOSA-N 428.492 4.015 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1O 775201288 NPJIUEXUZVKDCY-UHFFFAOYSA-N 426.391 4.123 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc(Cl)cc2F)nc1-c1ccccc1 775207121 HCYYOBDGWLKPOY-UHFFFAOYSA-N 425.894 4.362 10 20 IICD Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 775437478 CGXMKLGYJQBFCP-QFBILLFUSA-N 433.503 4.143 10 20 IICD Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 776405403 OCPSHGFEKABXQN-QGZVFWFLSA-N 427.504 4.353 10 20 IICD CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 778661039 ISZGDKAIGFVCQM-UHFFFAOYSA-N 441.531 4.000 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cc2cc(Br)cc(Br)c2o1 778922284 IFZQDDAECJRHMT-UHFFFAOYSA-N 441.075 4.299 10 20 IICD Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccn2)c(C)n1-c1ccccc1Br 779245158 MWTRKROBQPZRBQ-UHFFFAOYSA-N 441.329 4.206 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 783315992 GQBCQSNQIVMXML-UHFFFAOYSA-N 444.963 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(C)ccc1Cl 785193117 SIPPJIKLIUYSMJ-UHFFFAOYSA-N 425.710 4.104 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SC[C@H]1CCCS(=O)(=O)C1 789891040 SDNNZHCNGKRCFG-CYBMUJFWSA-N 429.405 4.249 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 797460886 VOLDWCGLZXMDPR-UHFFFAOYSA-N 425.964 4.323 10 20 IICD CCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801989567 CXIYJFDMAFGIHM-UHFFFAOYSA-N 437.613 4.372 10 20 IICD CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 802300365 FOKVGJHKDLKQHI-GGAORHGYSA-N 426.532 4.058 10 20 IICD CCO[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 802754416 VQXJNVKPLTZXKH-GMAHTHKFSA-N 449.599 4.394 10 20 IICD CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806269193 ZGTXWZIUBNPXJX-UHFFFAOYSA-N 431.341 4.344 10 20 IICD CCOCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 812212758 ZRJAGTXMRRDBGK-CABCVRRESA-N 435.956 4.056 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCCc2c[nH]c3cccc(Br)c23)c1 812512791 JRVJQHSVVKLXKQ-GFCCVEGCSA-N 432.318 4.248 10 20 IICD CN(C)c1ccc(C2(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)cc1 815715705 QYINLXOINGSLDB-SFHVURJKSA-N 429.511 4.171 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)cc1 906375954 ZBBHUPUDHHXFKX-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COc1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 914323875 AXLYENXXWCMPSF-QGOAFFKASA-N 446.619 4.397 10 20 IICD CN(C)c1ccc(CN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C2CC2)cc1 917074126 PXSFTMWPPQFCSN-UHFFFAOYSA-N 437.975 4.254 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)c1ccc(F)cc1 917141246 UFTBGRHAZCETBP-GBESFXJTSA-N 445.554 4.278 10 20 IICD COc1ccc(N2CCCN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)CC2)cc1 917207993 UIDXIIHNTXTWIX-UHFFFAOYSA-N 432.446 4.075 10 20 IICD Cn1c2ccccc2c2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)sc21 917832037 GWBYEXUGWBUWHT-KRWDZBQOSA-N 446.576 4.025 10 20 IICD Cc1cccc(OCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918202865 OXQQSZWEBSVWLB-OALUTQOASA-N 429.536 4.016 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 918303941 NECPOYQDZIKIEB-UHFFFAOYSA-N 449.526 4.458 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cccc(N3CCOC3=O)c2)c1C 919197449 DTYPPMGOINHEIS-UHFFFAOYSA-N 432.476 4.399 10 20 IICD Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 13363009 ZRKYRGUZEDFSDW-WQRHYEAKSA-N 435.530 4.134 10 20 IICD Cc1ncc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1-c1ccccc1 237861912 OCXUCJYSTMZUSL-UHFFFAOYSA-N 430.474 4.326 10 20 IICD Fc1cc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1N1CCOCC1 237866330 VIOPFRBEHOIPCV-FQEVSTJZSA-N 437.481 4.045 10 20 IICD CCOc1c(OC)cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1OC 483613169 JVHSRZIVTWOUPN-UHFFFAOYSA-N 440.540 4.250 10 20 IICD COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 727249286 SABQPBCFRAHLED-UHFFFAOYSA-N 426.466 4.359 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2)C1 727788844 RYTURRVWMCAGEX-NEWSRXKRSA-N 446.378 4.115 10 20 IICD CN(C)c1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1F 727861582 XCQSMDROEHMAAP-MOSHPQCFSA-N 444.553 4.107 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 728838970 CPFYMOAUXHKPIY-UHFFFAOYSA-N 428.838 4.382 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 728981215 VUHRYPAJNUJYBU-AAEUAGOBSA-N 447.582 4.227 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3cc(Cl)c4c(c3)OCCO4)cc2)CC1 731048705 CQCARTGLGPBDCT-UHFFFAOYSA-N 429.948 4.347 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 731863651 AFLKZTZSAXAMIE-AREMUKBSSA-N 437.403 4.062 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1)CC1CCOCC1 732448354 JSZKXWJEKLSBTQ-UHFFFAOYSA-N 439.625 4.378 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 733038633 QJGMIGNSMLPAOU-OAQYLSRUSA-N 433.474 4.112 10 20 IICD O=C1CCc2cc(-c3csc(NC(=O)NCCCSc4nccs4)n3)ccc2N1 734512100 BENZAUHKHISCIB-UHFFFAOYSA-N 445.595 4.455 10 20 IICD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735516333 OTPPALDZRKMKER-GOSISDBHSA-N 439.493 4.245 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 735927636 WUHIDEAGFXRVJY-UHFFFAOYSA-N 429.476 4.199 10 20 IICD O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 737111665 ZUIIILCHWLPROG-UHFFFAOYSA-N 443.459 4.340 10 20 IICD CCc1nc2cc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)ccc2o1 737157564 FXHMGDPJDGRFDL-UHFFFAOYSA-N 434.540 4.414 10 20 IICD CC(C)(C)OC(=O)Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 743228791 UWDHQPWEVVVOPU-OAQYLSRUSA-N 440.540 4.490 10 20 IICD CCc1ccc([C@H](COC)NC(=O)N(CC)Cc2cc(Br)ccc2O)o1 745851099 XOIMBWZURKKXSU-INIZCTEOSA-N 425.323 4.229 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F 746761734 UKGLYXTZUKMEJF-UHFFFAOYSA-N 436.572 4.213 10 20 IICD CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 748627457 YBJLSYCMQUTOGP-NTKDMRAZSA-N 443.563 4.125 10 20 IICD O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](NCc2ccc(N3CCSCC3)cc2)C1 751597696 YFEUXWUSAFZIJO-RBBKRZOGSA-N 449.620 4.327 10 20 IICD CC(C)[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 751608628 ZZKRSBSZUQIMJD-UEXGIBASSA-N 428.552 4.073 10 20 IICD C/C(=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1OC(F)F 753319474 YMDGFVHTLOYUGV-NTCAYCPXSA-N 434.458 4.108 10 20 IICD C[C@@H](NC[C@H](O)c1ccccc1F)c1cc(Br)cc(Br)c1O 756460313 PHPBNZOIMHYHOU-PSLIRLAXSA-N 433.115 4.441 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1O 756477345 YTPWUDJBBUCKKX-ZDUSSCGKSA-N 429.369 4.334 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)s1 756537582 ZSRDLYYKSHGRMM-XJKSGUPXSA-N 426.579 4.004 10 20 IICD C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1cc(F)ccc1N1CCN(C)CC1 756547322 ZQAYHXUDOZEHHB-CABCVRRESA-N 436.369 4.457 10 20 IICD C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 759579390 MMIDCVVEMXFJRN-HTZNOQTFSA-N 429.778 4.354 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 764988957 RTIJUZOBZDITDL-IBGZPJMESA-N 425.573 4.051 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 765679339 RMXKQRLXFUZXAQ-PNCHPQGNSA-N 426.536 4.189 10 20 IICD COCc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccccc1 767073088 XPFAODMICODUNI-UHFFFAOYSA-N 437.455 4.046 10 20 IICD CC(C)(C)n1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C1CC1 768912574 ORQSKAGLCUJEAZ-SFHVURJKSA-N 430.980 4.269 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCOC2(CCCCC2)C1 769095656 PCRQDQBOEAJAKP-SFHVURJKSA-N 437.531 4.438 10 20 IICD Cc1cc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccccc1Br 769596202 DLHIEBRQPFJXEM-KRWDZBQOSA-N 447.373 4.315 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1c1ccc(F)cc1 769641416 GRQRVVNMWIPTBY-GOSISDBHSA-N 446.525 4.371 10 20 IICD COc1ccc(-n2nc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cc2C)cc1 770719916 SUFDKYCLQVSQCF-UHFFFAOYSA-N 446.473 4.460 10 20 IICD C[C@H](N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)c1ccc(N(C)C)cc1 774481836 IFBUTBHUVRKYDO-AVRWGWEMSA-N 431.536 4.190 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)nc1-c1ccccc1 775149748 WPQJABINZRWTSV-UHFFFAOYSA-N 430.477 4.493 10 20 IICD C[C@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccc(N2CCOCC2)cc1 775256230 VTNBXWGYLCFTPD-ZDUSSCGKSA-N 449.374 4.248 10 20 IICD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2cc(Cl)cc(F)c2O)c1 776215075 WASFTVGJIQOZHU-UHFFFAOYSA-N 436.892 4.065 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)nn1-c1cccc(F)c1 776491091 PVNKSYNBPRAGGG-UHFFFAOYSA-N 425.533 4.195 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1ccc(OCCN(C)C)cc1 776668680 RQPHQCAZGAIFEZ-KPKJPENVSA-N 447.373 4.157 10 20 IICD COc1c(C)ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C 782424038 WJJMHZDVTJKWGG-UHFFFAOYSA-N 435.524 4.139 10 20 IICD OC1CCN(c2ccc(CNC(=S)Nc3cccc(OC(F)(F)F)c3)cc2F)CC1 783725669 PTONZNMMYTUNQV-UHFFFAOYSA-N 443.466 4.172 10 20 IICD COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(Br)c1 784058120 LJMCTFOEISCPJA-UHFFFAOYSA-N 446.345 4.344 10 20 IICD C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cccc(C(F)(F)F)c1O 788645273 OMBMWCNFOUJMQD-INIZCTEOSA-N 435.490 4.087 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 788746299 PZBDQQBKKLDIGW-UHFFFAOYSA-N 441.333 4.085 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1F 788990419 RMDSCJHVUUUKJL-UHFFFAOYSA-N 427.568 4.294 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCCC3)cc1F 789481925 KGBBVTKOTYNRMH-UHFFFAOYSA-N 432.565 4.042 10 20 IICD CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 789726060 KQXUXXUDXDWEJJ-HSZRJFAPSA-N 445.523 4.467 10 20 IICD CCc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C1CCCC1 789816973 UHZIMPOYORFOKZ-GOSISDBHSA-N 430.980 4.314 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1c(O)ccc(Cl)c1F 790965421 LCFBMLZSJYQLMA-UHFFFAOYSA-N 445.922 4.229 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1c(C)cc(C)cc1C 791246031 KADPYYYOVFXQJQ-UHFFFAOYSA-N 426.557 4.379 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](O)c1ccccc1 792037831 DSKOUDKWZFPUQK-OVFSYLBISA-N 443.563 4.141 10 20 IICD Cc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1 793869308 USYSPGHKDOQBHK-QGZVFWFLSA-N 425.554 4.122 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 796504607 OJEBCRHKJKCUAL-NRFANRHFSA-N 443.632 4.045 10 20 IICD CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800636264 IGXWJIHGKWVOTR-MRXNPFEDSA-N 429.948 4.230 10 20 IICD Cc1cc(-c2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)c(C)n1-c1ccc(F)cc1 801601433 GMTIPVICHAGPRX-UHFFFAOYSA-N 426.433 4.240 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C 802550085 KNGREEALFVRJEV-UHFFFAOYSA-N 443.975 4.071 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(OC)c(OC)c3C)CC2)cc1 806684349 USHBVYCNLQLYIP-QGZVFWFLSA-N 427.545 4.050 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3nc(C4CC4)cs3)cc2Cl)C1 807073701 IIZQHKSUHKLHRE-ZDUSSCGKSA-N 432.977 4.165 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(C(F)F)cc2)cc1 807174499 MGUSSIRHLZLSLM-UHFFFAOYSA-N 441.478 4.128 10 20 IICD CC[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C(F)(F)F)cc1O 810238670 SAIZZPZZULHEFN-GOEBONIOSA-N 431.252 4.441 10 20 IICD C[C@H](N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 815653220 HHJALCWZMAWHGN-BSRJHKFKSA-N 443.538 4.204 10 20 IICD Oc1cc(F)c(Cl)cc1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 816535986 ILZJHMMMRGHYTG-UHFFFAOYSA-N 444.913 4.335 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 816634021 WBDFBNZLBZAGHX-DLBZAZTESA-N 449.548 4.168 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 915350304 QITCMDAGJCSNTN-UHFFFAOYSA-N 436.478 4.272 10 20 IICD CCOc1ccc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917202530 LNNOHQBLLLVYHX-IRXDYDNUSA-N 432.561 4.247 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cccc4c3OCCCO4)SC2=S)cc1 917643357 FTNSAFDQVJGEPU-XMHGGMMESA-N 427.547 4.300 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cc3F)cc2F)C[C@@H](C)O1 917713501 RNWALHKYTOLVEZ-CHWSQXEVSA-N 439.300 4.271 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H](C)c3ccc(C)cc3C)CC2)cc1 918057867 CRDNNHKVXOPCSE-QFIPXVFZSA-N 438.616 4.227 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCCC[C@@H]2CO)sc(C)c1-c1ccccc1 919770637 NZUKUDGVLODZBH-GOSISDBHSA-N 430.570 4.076 10 20 IICD COc1ccccc1C1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCC1 919785207 YVOPFWWIUSUHOY-UHFFFAOYSA-N 437.584 4.185 10 20 IICD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971252 NQAWZKDUHAEUFL-ZDUSSCGKSA-N 441.330 4.177 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920873401 ALLNIIHRELPVSD-SFHVURJKSA-N 433.512 4.297 10 20 IICD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)o1 1824684539 BFGREPROEFXVMG-SFHVURJKSA-N 446.931 4.200 10 20 IICD COCCCOc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cc1 445747993 JVJVJOWZFISRLJ-UHFFFAOYSA-N 449.532 4.343 10 20 IICD Cc1c(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)n(C)c2ccccc12 473271889 UVGDXNZBHMXTKJ-HXUWFJFHSA-N 431.561 4.206 10 20 IICD Cc1ccc(Cn2nccc2NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)cc1 536251591 VXTWIKCWHPTOEA-UHFFFAOYSA-N 430.533 4.017 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(C)n1-c1ccc(F)cc1 726176475 PYAUFVADGWNKBT-HXUWFJFHSA-N 438.478 4.409 10 20 IICD CN(CCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 726613770 RDFKTWXIBYNMIC-UHFFFAOYSA-N 446.542 4.473 10 20 IICD Fc1cc(CNCC2(c3ccc4c(c3)OCCO4)CCCC2)ccc1N1CCOCC1 727465471 JPRVMCZPNXNVMW-UHFFFAOYSA-N 426.532 4.035 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)c2C)cc1F 728915949 ZACSFFPMRWPWHP-LJQANCHMSA-N 435.547 4.142 10 20 IICD COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 731780142 ZFZXJHNFACCPKR-UHFFFAOYSA-N 431.520 4.007 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cc21 737378869 DEUTVEBIGRMJDB-UHFFFAOYSA-N 431.514 4.049 10 20 IICD C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C[C@@H](C)S1 742767311 HWNFRYJGYPZIFB-APNXUPQFSA-N 426.654 4.082 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)C[C@](C)(O)C(F)(F)F)c2C)c1 744647636 MQHVFEJJOMSZAW-IBGZPJMESA-N 429.460 4.245 10 20 IICD COc1ccccc1C(C)(C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 745187654 ZQSWLQGQNMFQRJ-HDICACEKSA-N 443.563 4.225 10 20 IICD CCOCCCN1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@H](C)C1 745826760 DDDCPYKOFDZODA-NFBKMPQASA-N 431.621 4.374 10 20 IICD Cc1cc(Br)cc(C)c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 746726912 BITPDHLDRISTMH-UHFFFAOYSA-N 446.389 4.244 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 748933197 BBKPLHNQTYATQQ-UHFFFAOYSA-N 432.523 4.089 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)c2C)cc1 750141058 LCJJJYPULNQOAQ-QHCPKHFHSA-N 426.557 4.293 10 20 IICD CN(C)c1ccc(CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)C2CC2)cc1 751076591 IFUXMGQPLYPVIU-UHFFFAOYSA-N 447.436 4.296 10 20 IICD CC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1nc(C(F)(F)F)cs1 753940838 OFOBAUQWUHBAOL-CQSZACIVSA-N 446.470 4.293 10 20 IICD COC1CCC(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 754294323 YVFZFRXEAOIPIS-TVRKMHQQSA-N 425.520 4.151 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1nc(-c2cccc(Cl)c2)ns1 758033912 AUWDVBQWZFVAON-UHFFFAOYSA-N 447.923 4.156 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3cccc(Br)c3O)cc2C1 765750411 GASCVIZXVPQHHI-UHFFFAOYSA-N 447.329 4.335 10 20 IICD O=C(NCc1cccc(Br)c1O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 765756184 KYRLFIKRNUOURF-UHFFFAOYSA-N 447.720 4.196 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3nnn(-c4ccc(C)cc4)c3C)cc2F)CC1 765852508 LEZBOSZZMDAPLQ-LJQANCHMSA-N 436.579 4.016 10 20 IICD C[C@H](NC1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1)c1ccccc1 766096774 HXDIOFBOSXRCGQ-RTWAWAEBSA-N 441.591 4.213 10 20 IICD C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C)c4ccc(N(C)C)cc4)nc(O)c23)C1 773994874 PKWWFNBATSFDRZ-LSDHHAIUSA-N 438.597 4.398 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2cc(Br)cc(F)c2C1 774733412 SIXONZSQLYCWJP-UHFFFAOYSA-N 430.321 4.232 10 20 IICD CC[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cc(F)ccc1F 775454631 MOBZSWLLYOKPCR-DMPWYTOCSA-N 449.517 4.075 10 20 IICD C[C@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1 775712129 OMPGWJWEBXHJTQ-INIZCTEOSA-N 439.560 4.324 10 20 IICD COc1ncc(/C=C\C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cn1 775859008 ODJZVNXNHKAFAW-KMKOMSMNSA-N 430.386 4.368 10 20 IICD Cc1cc(C(=O)COC(=O)CSc2nncs2)c(C)n1-c1ccc(F)c(Cl)c1 775965925 SKVGBTGHKPFGNT-UHFFFAOYSA-N 439.921 4.256 10 20 IICD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1ccc(N(C)C)cc1 776269041 HPGZDFKRVSQIDA-GAJHUEQPSA-N 431.536 4.093 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1coc(-c2ccccc2Cl)n1 776465720 LAMLONSKMIMWOI-UHFFFAOYSA-N 429.879 4.025 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F 777797624 VOERVYCCJLMSLE-UHFFFAOYSA-N 434.792 4.404 10 20 IICD O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 779513079 RSZOKZYVPMYRNS-VWTAQGJOSA-N 435.307 4.438 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ncc(C4CCCCC4)s3)cc2)C1 782636942 FFBBUMQSCXVGBD-SFHVURJKSA-N 441.601 4.214 10 20 IICD CCc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 784087933 ZGGOHOMRPNIFBW-UHFFFAOYSA-N 429.480 4.358 10 20 IICD COCCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1Cl 789889702 MQOGQGINGQTLRI-UHFFFAOYSA-N 429.870 4.413 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCOc2c(Br)cccc2C1 792029569 WNXCBGWCFBXIGN-UHFFFAOYSA-N 430.346 4.154 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](C4(C)OCCO4)C3)cc2Cl)C1 799994805 FNQVPWVYRIBVSC-MJGOQNOKSA-N 435.996 4.261 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(Cl)c(F)c1N1CCOCC1 801920732 VLCCRIHUUPLYHC-UHFFFAOYSA-N 430.911 4.014 10 20 IICD CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nc(C)cs1 804886077 KGJWJUNUOGZVDW-KDOFPFPSSA-N 449.020 4.225 10 20 IICD CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cc1O 810208318 AYRVAMCDJWDNIM-FQEVSTJZSA-N 435.490 4.040 10 20 IICD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccco1)Cc1ccccc1O 810417218 FAKJGPUWAOUJOC-UHFFFAOYSA-N 427.810 4.391 10 20 IICD CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812039563 DIGOMLVYEZZVJW-GOSISDBHSA-N 439.535 4.302 10 20 IICD CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1F 813612736 GPQNHBWXEPJVJN-KRWDZBQOSA-N 434.556 4.013 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cc1 814283254 CXGDSNKIWZMZLM-CNRHGSOZSA-N 441.574 4.471 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 917310146 UEDVBFOPYVDEQK-UHFFFAOYSA-N 430.913 4.119 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 918033948 AAQYPCYUIFYGHL-UHFFFAOYSA-N 425.529 4.396 10 20 IICD C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)o1 918224185 MSPQHVUWIZRXLB-UZLBHIALSA-N 427.520 4.253 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)C(=O)Nc1cccnc1 918273874 VWGAQCHQAUXDPU-LJQANCHMSA-N 442.441 4.332 10 20 IICD Cc1cc(Cl)ccc1OCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 919924425 YUNDUMSVCHSLDP-UHFFFAOYSA-N 431.964 4.096 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1Oc1cccnc1 920193111 JVKOVZBUDZKGHT-UHFFFAOYSA-N 444.535 4.378 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1 920922128 FIXNGDJLVALASU-UHFFFAOYSA-N 447.539 4.021 10 20 IICD CSc1ncc(Br)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 1347192202 QSQZWFPXTFPZJC-UHFFFAOYSA-N 435.391 4.224 10 20 IICD CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1791263072 GJAGDMOADHQVLC-NTUHNPAUSA-N 438.524 4.387 10 20 IICD Cc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1802907269 GDUSOINXIUBGCM-CSLCPWPUSA-N 446.956 4.086 10 20 IICD CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1806332941 SYWYXECESRIMPQ-DHLKQENFSA-N 430.552 4.219 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15034447 DJRAXBIVRNHBHL-LCYFTJDESA-N 430.345 4.001 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 108169717 LAHSZXCEIKGIGN-GASCZTMLSA-N 445.585 4.458 10 20 IICD CN(CCCN1C(=O)/C(=C/c2cccc3c2OCCO3)SC1=S)c1ccccc1 726627582 SANQXBVMJKTCHZ-CYVLTUHYSA-N 426.563 4.186 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S 727176425 KNNGHQUWAIOXOD-ZSOIEALJSA-N 431.396 4.377 10 20 IICD COc1cccc2c1OC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C2 728400205 SURWPLIVTFHVJS-FQEVSTJZSA-N 435.524 4.070 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nc(C)cs1 729495916 BCKIHRPFMAGMGA-QGZVFWFLSA-N 442.507 4.257 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3coc(-c4cccs4)n3)cc2F)C[C@@H](C)O1 729947963 NAWCHUOIHMGGRC-HUUCEWRRSA-N 429.517 4.015 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3OC(F)(F)F)cc2F)CC1 730133177 KOTRZTDVXGCXSE-UHFFFAOYSA-N 440.441 4.188 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1noc2c1CCCC2 731240557 HTLBHZQKZWVFPW-BOPFTXTBSA-N 448.591 4.340 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)n(-c4ccccc4)n3)c2C)c1 731743353 QWSSVBMLSBTERU-UHFFFAOYSA-N 428.492 4.331 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCC[C@H]1CN1CCCC1=O 732489510 VAMZIURKJJASFI-NRFANRHFSA-N 433.512 4.044 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 734402252 JYZCFQDLZLJAFQ-UNMCSNQZSA-N 447.501 4.306 10 20 IICD C[C@H](Oc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 734692202 LSHVHKJVJFKWGJ-IBGZPJMESA-N 431.536 4.490 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1 737100823 VUFJGEXHTKFMLU-UHFFFAOYSA-N 446.576 4.229 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cc(OC)c1OC 743283599 CQHIHCMGMWVOMT-XNHPLOEXSA-N 441.574 4.471 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@@H]1CCc2ccccc2C1 743286056 ZPPQPTSXGXHSAU-ODAUKNCYSA-N 436.602 4.282 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCc3nc(C(F)(F)F)cs3)cc2)CC1 743600148 JYCIMOAYNWRXDK-UHFFFAOYSA-N 426.508 4.440 10 20 IICD CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NCc2ccccc2O)c(Cl)cc1Cl 748349893 KHEUCPOZLUEFLB-LBPRGKRZSA-N 445.368 4.096 10 20 IICD COC(=O)c1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1Br 755506912 GYDBNGJPEHSALX-UHFFFAOYSA-N 433.302 4.142 10 20 IICD Cc1cc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)n1-c1ccc(Cl)cc1 755537991 YQTPIHRXPBQCPI-UHFFFAOYSA-N 449.860 4.462 10 20 IICD CCc1ccc([C@H](NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c2cccs2)cc1 759593326 BQIIDTCVIZHMOL-JIWMQAFSSA-N 437.517 4.184 10 20 IICD C[C@@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O 761175351 AGKLTLICKKZULG-ZDUSSCGKSA-N 434.309 4.180 10 20 IICD O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 761636837 RBHKYWYSMWWENT-SFHVURJKSA-N 449.885 4.375 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 764701150 NSYWAQWUFSCEJN-NLFFAJNJSA-N 444.019 4.209 10 20 IICD CCC[C@H]1C(=O)NCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 765704508 SAKQLRXZYZTOAU-IBGZPJMESA-N 440.927 4.228 10 20 IICD CC(C)Oc1ccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1 779204676 RKCWAFUAVSBDCN-RIYZIHGNSA-N 438.372 4.376 10 20 IICD COc1ccccc1COC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 779609770 XKNTVDSQOSIFEL-UHFFFAOYSA-N 436.346 4.353 10 20 IICD CC(C)Sc1cc(Br)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 779706558 HWKRAKRUHOOJNH-XGICHPGQSA-N 432.386 4.235 10 20 IICD COc1ccc(C[C@@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC 781349448 CLXDUZGQILJTFJ-UZLBHIALSA-N 446.975 4.022 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccccc2OCC(F)(F)F)cc1 784107895 WKDPYOWLDIOQJY-UHFFFAOYSA-N 435.446 4.372 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 799260997 INNSUFCKQAMSJW-MRXNPFEDSA-N 448.479 4.309 10 20 IICD CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nc(C)cs1 803678090 XUIYJASUIZNQHW-FQEVSTJZSA-N 428.602 4.104 10 20 IICD CNC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1Br 806737997 SQWXGEYXUUHXFN-UHFFFAOYSA-N 445.361 4.071 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3csc(-c4ccccc4)n3)cc2)CC1 806890749 CGYCGDAXNIBJAJ-UHFFFAOYSA-N 434.565 4.301 10 20 IICD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807511357 LJHNIHXWBDIATJ-UHFFFAOYSA-N 436.320 4.386 10 20 IICD CC(C)NC(=O)NC(=O)[C@@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772269 RSGXZWDKCLHSRC-OXFWXOROSA-N 433.580 4.228 10 20 IICD C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 815609715 QHUBKLFOMSKHEX-MGPUTAFESA-N 443.548 4.160 10 20 IICD C[C@H](Cc1cnc2ccccc2n1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 815715811 VOEJMTZQLOUTQN-SJORKVTESA-N 440.494 4.195 10 20 IICD O=C(Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)C1CCC1 916380120 DGDBKJSRGCMOAY-QFIPXVFZSA-N 437.540 4.022 10 20 IICD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 916672272 FDOXEGHLHDIBIM-UHFFFAOYSA-N 432.484 4.120 10 20 IICD COc1ccc(N(Cc2ccccc2)Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)cc1 917085505 PCQIORVTJNXSOB-UHFFFAOYSA-N 439.519 4.105 10 20 IICD O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 917180487 YGASUWNXRBDLAG-UHFFFAOYSA-N 429.344 4.378 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 917504020 YEKYSMVLVJZMFZ-UHFFFAOYSA-N 425.529 4.283 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 919791890 FWKRJZRWQAMKAA-IBGZPJMESA-N 436.581 4.222 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(Oc4ccccc4)CC3)cc2F)C[C@H](C)O1 1318049540 ROGAXYINWYSQQK-OALUTQOASA-N 441.547 4.192 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 1318706271 NJJNYNXDPNNYLL-KRWDZBQOSA-N 435.911 4.205 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC4CCCC4)CCO3)C2)cc1 1781753396 HROXCSFPXODIMA-HHHXNRCGSA-N 449.595 4.118 10 20 IICD C[C@@H]1C[C@]1(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830223261 HJUPBVAIQMCRGF-SXHVTTPXSA-N 434.964 4.031 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(F)cc1Br 195614228 BNKBWFBSPDYQPF-UHFFFAOYSA-N 438.366 4.141 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 236967555 QURAIURQWQMATR-FQEVSTJZSA-N 437.609 4.472 10 20 IICD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cnn(Cc2ccccc2Cl)c1 619521934 UGGHOYAIRZKORS-OQLLNIDSSA-N 433.855 4.147 10 20 IICD O=C(CCc1nc(-c2ccsc2)no1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565263 JCIWBIDUWUEUDK-UHFFFAOYSA-N 448.495 4.117 10 20 IICD Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 727384021 LRVROSDGFUGISP-XLIONFOSSA-N 426.561 4.397 10 20 IICD CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 728638172 XOMFFGXZELFUBO-SFHVURJKSA-N 438.524 4.487 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCC3(N4CCC(OC)CC4)CCCC3)c2C)cc1 730789396 BCLUFINPXRLQJB-UHFFFAOYSA-N 439.600 4.256 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1ccc(F)c(Cl)c1 731164422 AAFQZOJXQVGQED-UHFFFAOYSA-N 429.927 4.485 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NS(=O)(=O)C[C@H]1CCOC1 731671308 AHJRSINJYRGXHH-KXBFYZLASA-N 442.503 4.138 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCSc2nccs2)cc1 733972952 PHTGDHXIROYUHY-UHFFFAOYSA-N 447.607 4.165 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 737025753 DPIRADOAFXOOGQ-UHFFFAOYSA-N 446.551 4.204 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCCOc2ccccc21 743577828 JQCXYOORHLUSIS-OXJNMPFZSA-N 431.483 4.470 10 20 IICD CCN(C)Cc1cccc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)c1 745788010 DQJTVVRHRWEQHQ-UHFFFAOYSA-N 434.378 4.338 10 20 IICD O=C(/C=C/c1ccccc1OC(F)(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 746010504 JLMVJWZRPRAKPM-SOFGYWHQSA-N 438.421 4.015 10 20 IICD Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(C)n1-c1ccc(F)cc1 748304214 OHLRDGQEUIFTRF-UHFFFAOYSA-N 435.499 4.430 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cn2)c1 749729904 DRWUGRVPHJDLAQ-UHFFFAOYSA-N 442.566 4.130 10 20 IICD CC[C@H](N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1c(C)noc1C 754546584 UEPHMNNXAJPFKM-LIRRHRJNSA-N 431.492 4.135 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1Br 756141116 MLXWFWRLHRZXQJ-NSHDSACASA-N 440.225 4.407 10 20 IICD Cc1nnc(O)c2c(NC(=O)CN(Cc3ccccc3O)[C@@H](C)c3ccccc3)oc(C)c12 757277401 PYTQWHCPEYDAKE-INIZCTEOSA-N 446.507 4.453 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1O 757287391 UPZFZUZDEQYWBW-MRXNPFEDSA-N 449.576 4.243 10 20 IICD Cc1cc(Br)cn2cc(CCNCc3cccc(Br)c3O)nc12 757964852 NUILJKNGIXQGHV-UHFFFAOYSA-N 439.151 4.206 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(OCCF)c2)cc1)C1CCCCC1 760095648 BFASQSGDIBITFC-UHFFFAOYSA-N 427.520 4.059 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 763578624 BUWAEORWUNMDJC-QGZVFWFLSA-N 446.954 4.035 10 20 IICD Cc1ccc(CNC(=O)NCc2cccc(Br)c2O)c(OC[C@@H]2CCCO2)c1 764797276 LBHCOGUCVZTAQV-KRWDZBQOSA-N 449.345 4.020 10 20 IICD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3cccc(Br)c3O)C2)c1 765764077 HENCJLDVIQZWFN-MRXNPFEDSA-N 446.345 4.023 10 20 IICD COc1ccc(O)c(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 769543217 XPPXOYLEHCVQRS-UHFFFAOYSA-N 433.327 4.146 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1-c1ccccc1 772580561 WTNFEBFHWQWWBQ-ROUUACIJSA-N 437.519 4.255 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3c(C)cccc3F)n2)cc1 775149871 DKYAZWSCEJMYDY-UHFFFAOYSA-N 447.557 4.127 10 20 IICD C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc(N(C)C)cc1 775403105 GLQDAINQHDBVJM-KRWDZBQOSA-N 429.520 4.159 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC3=CCN(C(=O)OC(C)(C)C)CC3)ccc21 777925399 ZEEKKCPBKBJNAE-UHFFFAOYSA-N 441.572 4.202 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1O 779010647 FOENIAGWKZPKGH-DNVCBOLYSA-N 447.373 4.223 10 20 IICD O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 779376491 OFLSGHNBOWDUQD-IEBWSBKVSA-N 447.938 4.154 10 20 IICD COCCNC(=O)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl 789888902 IKRKDTRHFGONQU-UHFFFAOYSA-N 446.935 4.227 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cc1F 790261720 NJAIWVIURRJWFR-UHFFFAOYSA-N 448.583 4.214 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2F)C[C@@H](C)O1 790671518 HFOURZGLZIMIJS-ZSQPIZSOSA-N 444.378 4.165 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)nc1F 791738094 OYLKEYKLCJGVJB-XFXZXTDPSA-N 425.507 4.041 10 20 IICD Cc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c(C)n1-c1ccc(Cl)cc1 794296495 OCNJMSDVGBIKMK-UHFFFAOYSA-N 440.862 4.195 10 20 IICD COc1ccccc1-n1nccc1/C=C1\SC(=S)N(c2ccc(Cl)nc2)C1=O 797398878 SBCKKSNPYMTMHZ-YBEGLDIGSA-N 428.926 4.335 10 20 IICD Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 797463525 MPOXKZBLBYLUII-UHFFFAOYSA-N 435.959 4.362 10 20 IICD COCCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800637443 YSIWAOOEXJDMKJ-KRWDZBQOSA-N 443.975 4.020 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 807105703 GZFBUIQNJFCOFA-UHFFFAOYSA-N 431.964 4.342 10 20 IICD Cc1cc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)c(C)n1-c1ccc(C(C)C)cc1 808083528 YPBSYUYAUAFXGH-HXUWFJFHSA-N 435.572 4.243 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3c4ccccc4CC34CCOCC4)CC2)cc1 811955222 PTNUSIDDTAWRGO-DEOSSOPVSA-N 435.568 4.057 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 813591269 VOQWQJAQNBLIEJ-HOTGVXAUSA-N 444.507 4.082 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2F)C[C@@H](C)O1 814283774 JMIBSUXIANSGGC-YVHKJVDXSA-N 426.536 4.127 10 20 IICD CCOc1ccc(OCC)c(NC(=N)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 849070209 KSBXVEIAZIVNQV-CALCHBBNSA-N 444.551 4.373 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 914491962 VWLWHYARUZXUKH-UHFFFAOYSA-N 431.536 4.311 10 20 IICD CCN(Cc1ccc(C)cc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 914504661 PDLVQVIBEHXKMI-UHFFFAOYSA-N 428.444 4.341 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 918192207 QKUOALQOQNGARG-QFIPXVFZSA-N 443.519 4.452 10 20 IICD CN(C)C(=O)Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919652635 BKEAPFAQSIWRHN-UHFFFAOYSA-N 434.540 4.211 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 920048340 NPYMLFROBVGQSV-SFHVURJKSA-N 445.405 4.183 10 20 IICD O=[N+]([O-])c1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1N1CCCCC1 920182885 YEEWDHVKBZDHDP-UHFFFAOYSA-N 438.572 4.084 10 20 IICD CN1CCN(c2ccc(/C=C(/Cl)c3nc(=O)c4cc(Cl)ccc4[nH]3)cc2F)CC1 1317891169 OBAVDRDHAXSENO-MHWRWJLKSA-N 433.314 4.204 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)O)cc3)CCC2)cc1 1791429746 RGLMQTGSHKAKGT-LJQANCHMSA-N 431.536 4.223 10 20 IICD C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 20993008 RORQBEJJZMCNSE-CFRMROPGSA-N 431.469 4.107 10 20 IICD Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)c1 110528379 DBNMSACAPCJTAM-UHFFFAOYSA-N 426.494 4.018 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1cccc(C(C)(C)C)c1 303537777 IWWHWFRTKPJJOG-UHFFFAOYSA-N 425.573 4.041 10 20 IICD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[N+](=O)[O-])C1 437027099 RFNROQGKJNBERF-CALCHBBNSA-N 438.528 4.182 10 20 IICD CC(=O)N[C@H]1Cc2ccccc2N(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 679583895 VPEKCCWAHLXDPC-VWLOTQADSA-N 437.547 4.061 10 20 IICD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(O)c1O 727005045 DMRWDRSFEBDXSI-CQSZACIVSA-N 427.453 4.022 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(Cl)nc3Cl)cc2F)C[C@H](C)O1 727768084 SDGNKQUWOQTOON-QWRGUYRKSA-N 430.282 4.210 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 728946407 DHOCWXKCZXVOIN-OAHLLOKOSA-N 437.471 4.353 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(C(=O)c2ccccc2)c1 729580314 OWIIQPJOOLNHDC-UHFFFAOYSA-N 433.483 4.215 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1C 731035966 CJXZBJYHVMKKMZ-UHFFFAOYSA-N 439.556 4.494 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCCN(C(=O)CC4CCCC4)CC3)cc2)CC1 731049961 YHCBGWXBCIAVGJ-UHFFFAOYSA-N 440.632 4.247 10 20 IICD C[C@H](NC(=O)NCCCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 731223411 ZNVGPVGSEJRNOW-KRWDZBQOSA-N 446.389 4.279 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1Br 732150449 BSNOMTWJDCZCLU-QGZVFWFLSA-N 444.373 4.084 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 734063868 QAZOPKTXQSAPLX-UHFFFAOYSA-N 427.501 4.016 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)c1 734073287 JWWLHRNAJGJMHT-UHFFFAOYSA-N 428.847 4.115 10 20 IICD C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 734229427 NCKCTEKYDMDMNP-LJQANCHMSA-N 442.523 4.341 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C2CC2)nn1 734775141 PADOCNFGVMJACV-RVDMUPIBSA-N 430.580 4.036 10 20 IICD O=C(CN(Cc1cccnc1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735685980 IGLXMAHNIUSUJB-DEOSSOPVSA-N 431.536 4.002 10 20 IICD O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1ccc(N=Nc2ccccc2)cc1 739937352 WWBNYYUJAZGDSX-UHFFFAOYSA-N 429.406 4.167 10 20 IICD CS(=O)(=O)Cc1nc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)cs1 741849186 CAOVWBIWBJAYIY-UHFFFAOYSA-N 445.591 4.485 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 742807282 ZFGRFXBGUPRFHA-AWEZNQCLSA-N 430.411 4.076 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3coc(-c4ccccc4)n3)cc2F)C[C@H](C)O1 743555233 STPHSURISXXARY-IRXDYDNUSA-N 438.503 4.094 10 20 IICD CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743974744 GVCQHYUMWCMQCC-GOSISDBHSA-N 445.510 4.309 10 20 IICD C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NCCC(N)=O)c2C1 744595080 XOCGOLPYTWMVSH-FDCFBWIESA-N 442.563 4.029 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cccc2cccnc12 745417641 JPAXCUJVZQCSIS-UHFFFAOYSA-N 428.330 4.477 10 20 IICD Cc1ccc(C)c(-n2ncc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)c1 747362598 AVCXZQLALGOVKS-UHFFFAOYSA-N 447.583 4.328 10 20 IICD COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccc(F)cc4Cl)CC3)c2c1 748078193 SYXAMRDOPZPESX-UHFFFAOYSA-N 428.891 4.305 10 20 IICD Cc1cc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2[nH]c(C)c(C)c2c1 749010930 UJMBXWDDGONKNV-UHFFFAOYSA-N 434.584 4.301 10 20 IICD CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 751239336 HBKQZCAXKFFEKW-UHFFFAOYSA-N 430.614 4.061 10 20 IICD CC1CCN(C(=S)SCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1 751303534 XVQZWEBOUSJTLM-UHFFFAOYSA-N 425.583 4.085 10 20 IICD O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 752151124 GGSDCXZLFJFGBN-INIZCTEOSA-N 447.507 4.264 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1 752897031 XTQKFBNBLJPALS-UHFFFAOYSA-N 443.950 4.439 10 20 IICD CN(c1ccc(CNC(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)cc1)C1CCCCC1 752960338 SMNGTCRPDKURKG-BUHFOSPRSA-N 431.540 4.143 10 20 IICD O=C(O)[C@H](Cc1c[nH]c2cccc(Br)c12)NCc1c(O)ccc(Cl)c1F 756381554 HRHSZRIOVROUFQ-AWEZNQCLSA-N 441.684 4.214 10 20 IICD Cc1ccccc1C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOCC1 761983439 RRSAAFTVKJVLMU-NRFANRHFSA-N 442.987 4.183 10 20 IICD Cc1ccc(Br)cc1CNC(=O)NCc1cccc(Br)c1O 764807441 UFBIBJVUVGTTHC-UHFFFAOYSA-N 428.124 4.225 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Br)c1 765255444 QOMQWBMSQWYLJC-WIYYLYMNSA-N 430.390 4.392 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccccc1OC[C@@H]1CCCCO1 765260137 RPLSWRUHKKNWRV-HNNXBMFYSA-N 435.318 4.424 10 20 IICD C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(N2CCCCC2)c(F)c1 765331331 DYKHBWJJNIZBJL-NRFANRHFSA-N 441.591 4.378 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)c(Cl)cc1Cl 765979534 LJPSKNNVWCIBDN-CYBMUJFWSA-N 431.360 4.218 10 20 IICD CC(=O)Nc1ncccc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 771472297 GAMWFKRANCTQDK-UHFFFAOYSA-N 427.302 4.462 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1F 772602973 NEHRFURFHRBYJZ-ZDUSSCGKSA-N 430.471 4.456 10 20 IICD C[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(N2CCOCC2)c(F)c1 772986163 AWWZCPIHKOUPFU-HNNXBMFYSA-N 430.911 4.259 10 20 IICD CCNC(=O)COc1ccc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)cc1OC 774120933 BYAYFKSDKZGNGU-GFCCVEGCSA-N 427.328 4.073 10 20 IICD CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 781154161 IRUMHCRZPXPLCM-UHFFFAOYSA-N 442.625 4.497 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781350913 NRMFIBSCPIUJMS-IBGZPJMESA-N 445.432 4.206 10 20 IICD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)OCC(=O)c1ccc(O)c(O)c1 783203640 MEPOELVAJUIKIK-UHFFFAOYSA-N 446.434 4.058 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc(OC)c1OC 783485250 IIGXFEAVIQJKAL-INIZCTEOSA-N 449.507 4.028 10 20 IICD CCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(OC(C)C)c1 790663292 MWSPDLIKZQVQQF-UHFFFAOYSA-N 439.556 4.217 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccccc1 799636368 NYUCQCDBHPMFDG-UHFFFAOYSA-N 429.567 4.436 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)CC2)cc1 800563112 RQWYTZSZFWJTNF-UHFFFAOYSA-N 448.489 4.317 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2ccc(Cl)cc2Cl)n1C 800764777 WZPRFSGTMBRTFK-UHFFFAOYSA-N 432.355 4.262 10 20 IICD C[C@H](NCc1ncccc1N(C)C)c1cc(Br)cc(Br)c1O 810249100 MYPVYVBYNXJZDI-JTQLQIEISA-N 429.156 4.229 10 20 IICD CC[C@H]1[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C 813043987 OXSYRXOQEZWPON-AEFFLSMTSA-N 435.528 4.370 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 813591271 VOQWQJAQNBLIEJ-HZPDHXFCSA-N 444.507 4.082 10 20 IICD C[C@@H]1CN(C(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)C[C@@H](C)O1 814771259 NJIWXGFMDNIXDQ-TZPRWQMZSA-N 432.592 4.241 10 20 IICD COC(=O)[C@@H](c1cccc(OC)c1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 864011709 ABRYBEYVXHXEBV-JOCHJYFZSA-N 440.540 4.387 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCCN(C(=O)c4ccc(F)cc4)CC3)c2C)cc1 913152772 CDUXNKJAEXGQFB-UHFFFAOYSA-N 449.526 4.230 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCNC(=O)NC2CCCCC2)cc1 914455826 BKDWNWMUJSEGLC-UHFFFAOYSA-N 440.588 4.287 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 914831072 KYTQYYKZXXFZFW-UHFFFAOYSA-N 427.346 4.363 10 20 IICD C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 916058425 NYQZKKGWIPTMJF-CYBMUJFWSA-N 448.862 4.385 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(COc2ccc(F)cc2)o1 917386173 RALFNDRGFHXIIV-UHFFFAOYSA-N 426.513 4.481 10 20 IICD COc1ccc(N2CCCN(Cn3nc(COc4ccc(C)cc4)oc3=S)CC2)cc1 917484871 INEHXNKCKWDPKW-UHFFFAOYSA-N 440.569 4.271 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2F)C[C@@H](C)O1 917711171 LRKLDHJZYMWCRC-ZIAGYGMSSA-N 426.410 4.268 10 20 IICD CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 918198408 BMYUZZMGHDMUOE-GDNBJRDFSA-N 441.502 4.097 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2SCC(N)=O)cc1 919652801 ODQVHOMBFUHVTI-UHFFFAOYSA-N 438.553 4.157 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c(F)c1 1329535434 YVKOMLDMNOIAKV-ZDUSSCGKSA-N 428.401 4.240 10 20 IICD Cc1csc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c1 1800715821 QQJHKVQRFQPEAC-MUJYYYPQSA-N 448.972 4.006 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CCc2ccco2)C3)cc1 1845397917 FSIJFVGJOPFMIA-UHFFFAOYSA-N 431.536 4.137 10 20 IICD CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccncc2)cc1 23588855 XTNJSYKHFXOVRZ-UHFFFAOYSA-N 448.504 4.114 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(COc4ccccc4OC)o3)CC2)cc1 110470934 RHCNOZXEWCQIAG-UHFFFAOYSA-N 436.508 4.275 10 20 IICD CC(=O)N(c1nc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1)C1CC1 236714470 YJWUHNKHOWJECX-HNNXBMFYSA-N 436.528 4.018 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(CCc3cccc(F)c3)C3CC3)cc2F)CC1 303600248 XDQLRTYCDIDGSL-UHFFFAOYSA-N 442.554 4.023 10 20 IICD O=C(NC1CCN(CCc2ccccc2)CC1)N(Cc1ccco1)Cc1ccccc1O 726089293 MSEGBQLPLZGMBH-UHFFFAOYSA-N 433.552 4.404 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nncn3C(C)(C)C)c2C)cc1 727655193 QZZAWSARLLAWPR-UHFFFAOYSA-N 426.542 4.202 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C(C)=O)ccc21 728637597 NXQUIHCZRUXVRL-GOSISDBHSA-N 436.508 4.291 10 20 IICD Cc1ccccc1OCCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 729496715 LWZZMSBOHKKJGX-KDURUIRLSA-N 429.536 4.016 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cc1F 731363234 AAMUMLYYOYINNV-UHFFFAOYSA-N 429.536 4.434 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1Cc1ccccc1 735828607 AQUDJCMUEJFQNK-UHFFFAOYSA-N 431.580 4.292 10 20 IICD Cc1c(Cl)cccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 736004210 QOUGPDALCVWKSV-UHFFFAOYSA-N 442.865 4.199 10 20 IICD COc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Br 740901793 IPYGFJIMNHXDRH-OAHLLOKOSA-N 430.346 4.394 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1 741100278 XHQVXZZQOVSREJ-UHFFFAOYSA-N 444.560 4.005 10 20 IICD O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805858 OUCUJIFPCHLARM-OAHLLOKOSA-N 448.495 4.117 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)c1 743046538 XCCWFRDNEMXCIM-UHFFFAOYSA-N 430.429 4.045 10 20 IICD Cc1csc([C@](O)(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C(F)(F)F)n1 746834460 MRHIOSHVZPXDJT-LJQANCHMSA-N 429.508 4.095 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1Br 747193901 BTXMYWZDCFLWHR-CQSZACIVSA-N 444.295 4.223 10 20 IICD O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)NCc1ccccc1O 748345445 LNNSRMXMDZMAOZ-UHFFFAOYSA-N 439.309 4.266 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)n2)cc1 748611711 ATRJRNAPUJIESV-UHFFFAOYSA-N 446.510 4.094 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nn(-c4ccc(F)cc4)c4c3CCC4)cs2)cc1 751931904 VUSKRNRDALHVSF-UHFFFAOYSA-N 448.523 4.487 10 20 IICD O=C(CSc1ccc(C(F)(F)F)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 752152416 YMWDSKRWHZUPMZ-INIZCTEOSA-N 426.460 4.106 10 20 IICD Cc1cc(Br)cn2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cnc12 753541243 YCWBMINOEABARY-IBGZPJMESA-N 430.346 4.292 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CC[C@]3(CCOC3)C2)sc(C)c1-c1ccccc1 756902821 AZPXPRYSFUTQDD-DEOSSOPVSA-N 442.581 4.341 10 20 IICD COc1ccc(Br)c(CN(C)C(=O)NCCCSc2nccs2)c1 759000218 BWPYNLSMXOSVKP-UHFFFAOYSA-N 430.393 4.238 10 20 IICD CC(C)Sc1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 761677873 YAYQWQCAECNUBP-SFHVURJKSA-N 426.586 4.211 10 20 IICD COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)c2ccccc2C1=O 767921660 KNQJGLHJUVZCIW-PTGBLXJZSA-N 440.499 4.259 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CCCc3ccccc3)cc2)C1 769037331 LWVFGOQLTKTPPJ-NOZRDPDXSA-N 448.611 4.085 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)cc1 769994947 YBZOATFXYOZLEV-UHFFFAOYSA-N 447.583 4.156 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1F 771981817 VBAYEXQJQPBSMC-WMZOPIPTSA-N 436.572 4.259 10 20 IICD CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O 775555856 RKHNQNBYNVSADA-OALUTQOASA-N 437.367 4.210 10 20 IICD O=C(C1CCN(Cc2cc(Br)cc(Br)c2O)CC1)C(F)(F)F 776007706 FHXPTOVZSXLESM-UHFFFAOYSA-N 445.073 4.261 10 20 IICD CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 776899750 JOHLBOPYYNUTRV-UHFFFAOYSA-N 443.613 4.249 10 20 IICD CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 779606099 KKFCOAXOTKNVCG-UHFFFAOYSA-N 426.517 4.298 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2F)C[C@@H](C)O1 779606931 LDWZCBOXLBMSFM-VXGBXAGGSA-N 445.844 4.437 10 20 IICD CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)c2)CC1 780406941 BLOIOPCPBHYMFT-UHFFFAOYSA-N 443.613 4.070 10 20 IICD CC(=O)N1CCN(Cc2ccccc2NCc2ccc(OCc3ccccc3)cc2O)CC1 783695872 PVZOBMUXSIZNOX-UHFFFAOYSA-N 445.563 4.247 10 20 IICD COc1cc(Br)cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784057948 IFDSXWBYFXZUNG-UHFFFAOYSA-N 446.345 4.344 10 20 IICD COC(=O)c1c(NC(=O)C2CN(C(C)=O)C2)sc(C)c1-c1ccc(Cl)cc1Cl 788439267 WCNJZBCETITCCI-UHFFFAOYSA-N 441.336 4.234 10 20 IICD CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)c2)C1=O 794266487 OEXAQDKLTKZUAL-JOCHJYFZSA-N 430.508 4.490 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 797610549 DAOWWKHFCICWDZ-MRXNPFEDSA-N 435.528 4.226 10 20 IICD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 799259919 GYIPNBBHPALLPY-UHFFFAOYSA-N 446.551 4.401 10 20 IICD CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(Br)c1O 802575350 NGZUHPFWHITYOC-UHFFFAOYSA-N 439.737 4.361 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)cc1C 802609855 NFRNYYCMLYYGDR-UHFFFAOYSA-N 437.309 4.370 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)c2)CC1 803115668 BENKMZBVVGOZMI-UHFFFAOYSA-N 428.536 4.333 10 20 IICD COc1ccc2oc([C@@H](C)NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(C)c2c1 804759069 RPQGYPJWTXSOOA-QGZVFWFLSA-N 449.551 4.184 10 20 IICD C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCCSc1nccs1 806279435 OCWYCQIAXZAETF-LLVKDONJSA-N 432.398 4.268 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)NC)c1Br 806735764 MSLXUTQYPPYTSX-UHFFFAOYSA-N 434.334 4.349 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccccc1SC(F)(F)F 807386679 DYEMFGBCAXBTJL-UHFFFAOYSA-N 449.248 4.022 10 20 IICD Cc1csc(Nc2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)n1 810167832 QGAKDFWIEWQKDJ-UHFFFAOYSA-N 440.544 4.225 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2cccc3ccccc23)n1C[C@H]1CCOC1 812382661 QDVRMRXQFIJONS-LJQANCHMSA-N 428.536 4.401 10 20 IICD Cc1sc2nc(CCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)nc(O)c2c1C 820006234 PCJODJZCTNTSRR-UHFFFAOYSA-N 444.520 4.295 10 20 IICD Cc1nc2ccccc2nc1CS(=O)(=O)CC(=O)c1cc(C)n(-c2ccccc2)c1C 914469448 VLQPFVWAJPMPRP-UHFFFAOYSA-N 433.533 4.143 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 916625478 KKTQJRUYHCZRPX-UHFFFAOYSA-N 433.581 4.115 10 20 IICD COC(=O)c1ccc2c(O)nc(CC(=O)c3cc(C)n(-c4ccccc4F)c3C)nc2c1 917261708 ZUAQMLRSZZBKJG-UHFFFAOYSA-N 433.439 4.094 10 20 IICD O=C1/C(=C/c2ccc(F)c(-c3cccs3)c2)SC(=S)N1CCCN1CCOCC1 917643790 KHBWQHXRXHCVTP-RGEXLXHISA-N 448.610 4.478 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 918075005 NFGDESGQWSJKQT-LJQANCHMSA-N 438.572 4.102 10 20 IICD CNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1 1328071119 ROZXZFHKILYZPE-UHFFFAOYSA-N 442.928 4.373 10 20 IICD Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 1800512837 ACZPWHNFIDNDOI-VILGAWFOSA-N 442.563 4.363 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[nH]c2c1C(=O)CC(C)(C)C2 216344177 HPVXVZYXEZLHKN-HXUWFJFHSA-N 437.584 4.366 10 20 IICD COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccccc2O)cc1 303330103 CMBUUCLOLOSOAF-XMMPIXPASA-N 429.520 4.211 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 725866099 CHAVPMSSFPWXPK-IFMALSPDSA-N 447.501 4.269 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 726190250 WCZNWMANDQUXDT-MHZLTWQESA-N 442.563 4.058 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCCO[C@H]3CCCc4ccccc43)CC2)cc1 733849970 PDEMPGCTFLSPHC-VWLOTQADSA-N 437.584 4.401 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cccc2cccnc12 735917639 BADDVMTUEPBDCD-UHFFFAOYSA-N 433.518 4.345 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2)C1 741913357 HQWYDWTWNGAQOX-IPHXSNPTSA-N 446.378 4.115 10 20 IICD O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2 743282092 IYEODGKBYGTQNS-JTTHFOCSSA-N 425.478 4.407 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1c1ccccc1 743555067 PCNCARSGSCBKNB-IIBYNOLFSA-N 433.474 4.445 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743625270 YCOUUZFFWFSMKU-LJQANCHMSA-N 442.510 4.132 10 20 IICD C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 749222204 LEEMKJZHNGSSNS-NRFANRHFSA-N 435.616 4.439 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccc(SCc2cccnc2)cc1 749731583 UJIXWOHEXHAIEA-UHFFFAOYSA-N 444.607 4.068 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCC(=O)c2ccc(F)cc2F)cc1 750875406 UIVJTPGQWBOCGE-FQEVSTJZSA-N 430.495 4.202 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1nnn(-c2ccccc2F)c1C(F)(F)F 751386131 QVSJIMSWNKBIPB-UHFFFAOYSA-N 447.436 4.346 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 756176158 IWRJAMSUOIHTOU-UHFFFAOYSA-N 436.581 4.176 10 20 IICD C[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(Cl)c1O 756708399 QHHNADDCJNOCBH-LLVKDONJSA-N 429.717 4.418 10 20 IICD O=C(NCCCSc1nccs1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 759602723 YPIYERZMHZIWFI-OAHLLOKOSA-N 439.912 4.028 10 20 IICD COc1cc(N2CCN(C(=O)c3cccc(Nc4ccccc4)c3)CC2)cc(OC)c1OC 760084868 BLSPWVRSCBPQLU-UHFFFAOYSA-N 447.535 4.418 10 20 IICD CCOc1ccc(O)c(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c1 763507178 ONTVLMITZAJGPH-UHFFFAOYSA-N 432.568 4.163 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(C)cc(C)cc1Br 770255485 STXBMNQHVLQPCE-UHFFFAOYSA-N 432.362 4.119 10 20 IICD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 774169123 ONADIZJCLABACI-RTBURBONSA-N 435.475 4.135 10 20 IICD CCC[C@H](NCc1cc(O)n2ncc(C(=O)OCC)c2n1)c1cccc(C(F)(F)F)c1 775325805 YYOVNGJINNFUGI-KRWDZBQOSA-N 436.434 4.261 10 20 IICD O=C(COc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 776280200 CHHDIRAPCVRHDM-UHFFFAOYSA-N 446.828 4.030 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)CC1 776305893 JNIFQJHRXFNIJY-UHFFFAOYSA-N 443.565 4.120 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)n2)s1 783946490 RWEVUFMCAUUTHK-UHFFFAOYSA-N 425.605 4.154 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)sc(C)c1C 784058340 QPQMZLKGNNMXAD-UHFFFAOYSA-N 443.569 4.428 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)n1 784061704 SRMODFUSPPEUJZ-UHFFFAOYSA-N 447.539 4.494 10 20 IICD CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1 784548820 JECINBHLSIXGFH-UHFFFAOYSA-N 433.955 4.448 10 20 IICD COc1ccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c(O)c1 794379774 SHCQITNTHKODCG-UHFFFAOYSA-N 432.270 4.265 10 20 IICD O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 798301040 MJCDJJJPFVKKNP-LJQANCHMSA-N 433.464 4.184 10 20 IICD O=C1OCc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3F)cc21 800047187 HQKREJULLHIPTI-UHFFFAOYSA-N 445.855 4.181 10 20 IICD C[C@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(N2CCOCC2)cc1 800563345 ZUAWJVNDWFREJS-INIZCTEOSA-N 448.489 4.284 10 20 IICD O=C(NCCCc1c[nH]c2ccccc12)C(=O)N(Cc1ccccc1O)C1CCCCC1 805152195 MWANKYUUQKBHSY-UHFFFAOYSA-N 433.552 4.284 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 806276159 JRQHQENPUHYMDU-UHFFFAOYSA-N 443.569 4.110 10 20 IICD CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 812477455 OREHLQLRAVSKBA-QFIPXVFZSA-N 434.939 4.160 10 20 IICD COC(=O)c1cccc(Br)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 814627658 PPHZNBPKRUNTIL-INIZCTEOSA-N 434.330 4.123 10 20 IICD O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 818737323 DVLVNTUTXJCOCL-OAHLLOKOSA-N 444.534 4.011 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 914613796 KSCYMHDJSBRWTM-UHFFFAOYSA-N 427.888 4.255 10 20 IICD O=C(COC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)Nc1ccc(N=Nc2ccccc2)cc1 914672276 WMHDZDAGSSQCFP-DLBZAZTESA-N 448.401 4.041 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 920869842 BKCQKTWSIXPALJ-MBSDFSHPSA-N 439.556 4.148 10 20 IICD CCCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920872558 UGJONXAWOWNLLD-RBUKOAKNSA-N 441.572 4.442 10 20 IICD CO/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790776508 FNGXZJFIUUSWCL-OUKQBFOZSA-N 430.888 4.049 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(OCC(F)(F)F)c1 71941079 PLZXPRNVLVDFNT-UHFFFAOYSA-N 437.462 4.158 10 20 IICD COc1ccc(Cl)cc1NCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 115302815 MFYIXABUCDFJLD-HXUWFJFHSA-N 431.964 4.034 10 20 IICD CCCc1ccc(-c2cc(NCc3ccc(N4CCOCC4)c(F)c3)n(CCO)n2)cc1 236980621 FWVQBSKPCZHUEQ-UHFFFAOYSA-N 438.547 4.083 10 20 IICD Cc1ccc(CNC(=O)c2cccc(CNCc3ccc(N4CCOCC4)c(F)c3)c2)cc1 237876512 OSMWQAFVZMONEO-UHFFFAOYSA-N 447.554 4.191 10 20 IICD O=C(Nc1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1)C1=S=CC=C1 518924584 MYEBGHAAHMQLCC-NRFANRHFSA-N 442.544 4.277 10 20 IICD Cc1c(CNC(=O)C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)n(C)c2ccccc12 569562825 DPKBIFJMRTVXQB-UHFFFAOYSA-N 445.563 4.009 10 20 IICD O=C1/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC(=S)N1CCc1ccccn1 726196835 CZQIKQJVYDXQGB-ODLFYWEKSA-N 440.981 4.424 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 726264847 ATAJUPALNWYJFP-HXUWFJFHSA-N 432.609 4.321 10 20 IICD CCOc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC 726694487 DLXHYLWRWJVLJH-UHFFFAOYSA-N 435.471 4.486 10 20 IICD CCCOc1c(Br)cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1OC 728980521 IYLVICOFYBWHFJ-GFCCVEGCSA-N 438.318 4.452 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c1 729063287 IMPQWLJRKXULRA-LLGFUMIMSA-N 440.540 4.312 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(Cc3cccc(F)c3)C(C)C)cc2F)CC1 730133600 ZVDYHRDVOVHPTR-UHFFFAOYSA-N 430.543 4.227 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC4CCCC4)c3)cc2)CC1 731132210 UNHVHCYFQUPDDT-UHFFFAOYSA-N 435.568 4.499 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1F 731400090 WMLAWGVDGRPBHS-UHFFFAOYSA-N 434.943 4.484 10 20 IICD COC(=O)CN(Cc1ccc(OCc2ccccn2)cc1)Cc1cc(Cl)ccc1O 731845410 XBGWYRLWNQWMTF-UHFFFAOYSA-N 426.900 4.195 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)ccc21 734216342 NHRPHMZRYOKQIW-UHFFFAOYSA-N 445.485 4.291 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)c(C)s3)cc21 734740812 STOJGTFOYMDBGQ-UHFFFAOYSA-N 427.551 4.137 10 20 IICD CC1(C)CN(Cc2c(O)ccc3ccc(O)c(CN4CCCOC(C)(C)C4)c23)CCCO1 735297349 FRWGFYOIDUPRSW-UHFFFAOYSA-N 442.600 4.253 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](OC)c3ccc(Cl)cc3)CC2)cc1 736402967 NILZJQOPABRLLI-KSFYIVLOSA-N 431.964 4.393 10 20 IICD COc1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1OCC(=O)NC(C)C 739599819 VNUUUONLYDEFGR-UHFFFAOYSA-N 439.556 4.087 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2ccncc2F)sc(C)c1-c1ccccc1 741377359 NRKAMSNRCRUGHH-UHFFFAOYSA-N 442.468 4.230 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nn(-c4cccc(C(C)C)c4)cc3O)CC2)cc1 741743318 MKDSWZXOPCHJLV-UHFFFAOYSA-N 434.540 4.109 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)cc2)CC1 742071135 GZKLUNCEWCEAHO-QFIPXVFZSA-N 425.960 4.246 10 20 IICD COc1cccc(-c2n[nH]cc2CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742385228 TYLWAXNWTNTPRH-GOSISDBHSA-N 428.483 4.445 10 20 IICD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804720 AXNLYKCFDALNKF-CQSZACIVSA-N 439.846 4.177 10 20 IICD C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742953234 ZYIMETBPPJMOQV-HTAPYJJXSA-N 439.556 4.380 10 20 IICD COc1cc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C 743629874 PLHJTGNEYSLZJC-SFHVURJKSA-N 433.499 4.116 10 20 IICD CCCN(Cc1ccccc1O)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 743870568 XWBYKDGNFAZKCQ-VWLOTQADSA-N 432.520 4.391 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)cc1F 743906035 PLNGREOALKKYRG-UHFFFAOYSA-N 425.426 4.254 10 20 IICD CO[C@]1(C)C[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1(C)C 744720957 OBPQBBAMGOLCSQ-HGNZPNQYSA-N 438.640 4.049 10 20 IICD O=C(NC[C@@H](c1cccs1)N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 745279419 QQYRLCGGVROMDY-NRFANRHFSA-N 443.613 4.372 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(CO)o3)c2C)ccc1Br 745383302 JDKQDDQOUPRQCK-UHFFFAOYSA-N 446.297 4.290 10 20 IICD O=C(NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 745433662 LGPJBVXCEKPLBY-UHFFFAOYSA-N 429.948 4.320 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 745778221 ANEWBTHMZIJYDH-UHFFFAOYSA-N 447.308 4.211 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc(C)c2ccccc2n1 745795862 KSMLIJZESZLMDV-UHFFFAOYSA-N 429.318 4.138 10 20 IICD Cc1cc(C[C@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n(-c2ccccc2)n1 746344874 KWDUVGZNCUKBNP-YADARESESA-N 448.567 4.208 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)c2C)c1 749355012 GQQWHWVJCCZARK-JOCHJYFZSA-N 448.489 4.014 10 20 IICD CN(c1ccc(CNC(=O)Nc2cc(Br)cn(C)c2=O)cc1)C1CCCCC1 751557346 WYNBKYHHBMZDRV-UHFFFAOYSA-N 447.377 4.238 10 20 IICD COc1ccccc1[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C 756432122 HGTZEWUGUSIXTI-RDTXWAMCSA-N 431.489 4.226 10 20 IICD C[C@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O 756517180 NUNKEKYKNCXVPX-ORAYPTAESA-N 430.417 4.413 10 20 IICD COc1cc(CN2CC[C@@H](N[C@H](C)c3ccc(Br)cc3O)C2)cc(OC)c1 756644161 DEXRXLCXRUIPNR-RHSMWYFYSA-N 435.362 4.097 10 20 IICD C[C@@H]1C[C@H]1c1noc(CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n1 762257294 YVUIUAWYCVUZSC-QNOUQITGSA-N 436.356 4.357 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(Cl)c1I 763478525 MHJPMELAKXMARD-UHFFFAOYSA-N 443.716 4.068 10 20 IICD Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3cccc(Br)c3O)n2)ccc1F 764798867 WVMNFKHVNJJTLD-LLVKDONJSA-N 449.280 4.213 10 20 IICD COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(N(C)C)cc2)c1 765296974 LZLXENHBEZPLGK-RUZDIDTESA-N 433.552 4.207 10 20 IICD C[C@@H](NCCCSc1nccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 766072230 OMBMMYWPHSJBGU-OAHLLOKOSA-N 437.612 4.048 10 20 IICD COc1ccc(N2CCCN(Cc3cc(OC)ccc3OCc3ccccn3)CC2)cc1 768998989 RQDDZIBMICIFIC-UHFFFAOYSA-N 433.552 4.390 10 20 IICD Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2)cs1 771056821 HDOQVDKNJYMDOI-KRWDZBQOSA-N 430.961 4.200 10 20 IICD CCOC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 771067197 SEVNZPFUSZVRRY-IBGZPJMESA-N 431.920 4.008 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccc(F)c2F)NC(=O)OC(C)(C)C)cc1 773191074 NDOMOWNPIDGWIX-QGZVFWFLSA-N 437.462 4.166 10 20 IICD CCOc1ccc(C2(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCOCC2)cc1 773244914 JBPIUAOUUOAKKS-IBGZPJMESA-N 425.573 4.260 10 20 IICD CC[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1O 775503599 KHTXWYPHIFSUTB-ZDUSSCGKSA-N 449.322 4.301 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCC(C)(C)CS(C)(=O)=O 778551408 LMHOZYVXMNIPKV-UHFFFAOYSA-N 431.421 4.495 10 20 IICD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 778925623 MRYLCRDAHHFPPT-UHFFFAOYSA-N 433.895 4.463 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)c1cc(C(=O)OC)ccc1O 783314482 ZMQFYEYIRWTZCZ-INIZCTEOSA-N 428.529 4.366 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 786874224 JVYWXZFQOSDXSX-UHFFFAOYSA-N 442.921 4.429 10 20 IICD C[C@H]1CCSCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 791907362 NZQCBAFMIDDBQQ-UESPBHMZSA-N 426.654 4.084 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(I)cc1Cl 797612222 UQKQRLHNWRAMKC-VIFPVBQESA-N 446.672 4.109 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc(Cl)c2)nc1-c1ccc2c(c1)CCC(=O)N2 799187147 NKPHCZHAFWTCIX-UHFFFAOYSA-N 433.942 4.457 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 800627262 HELCDKBXGMSBDI-UHFFFAOYSA-N 446.551 4.102 10 20 IICD C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C 800765319 VYCRTBISWBOLJE-KRWDZBQOSA-N 441.963 4.082 10 20 IICD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 800855215 BUXBUUZVLMSXKZ-RUZDIDTESA-N 440.540 4.066 10 20 IICD CCCCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1O 801595663 PRLHZEYAMNEVSL-PMACEKPBSA-N 425.573 4.247 10 20 IICD CC(C)(C)OCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 807513097 TXMKXVWRKYVBNJ-UHFFFAOYSA-N 425.312 4.269 10 20 IICD COc1ccc(N2CCC(NCc3cc(OC)c(OCC(F)F)c(OC)c3)CC2)cc1 808384820 FTBPRGPDHVCTHC-UHFFFAOYSA-N 436.499 4.115 10 20 IICD CCN(CC)CC(=O)Nc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 808434064 HXXQVZAOWZPWQK-UHFFFAOYSA-N 439.560 4.478 10 20 IICD CSc1ccc(-c2nsc(NC(=O)NCc3ccc(N4CCOCC4)cc3)n2)cc1 809930241 IFSSTJDJWZAFIZ-UHFFFAOYSA-N 441.582 4.085 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)c1ccc(N(C)C)cc1 815575202 LPAFDPIUNYFMMS-NSHDSACASA-N 429.826 4.121 10 20 IICD C[C@@H](NCCc1cnc(SC2CCCC2)nc1)c1ccc(N2CCOCC2)c(F)c1 815656901 JHNYZTRVPDJNRW-QGZVFWFLSA-N 430.593 4.380 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(F)cc1 830113325 MGXVUFHESBTXAA-INIZCTEOSA-N 432.517 4.236 10 20 IICD COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 916713735 RJPPJRQHHBKGBH-UHFFFAOYSA-N 435.480 4.082 10 20 IICD Cc1cc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 918126545 GHLXIDJFTLEKLA-UHFFFAOYSA-N 444.984 4.482 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918141741 ZZLGQFYARBEZMG-IRXDYDNUSA-N 436.531 4.172 10 20 IICD CC(C)(C)c1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918204186 WFVNGKBCVAWIEM-UHFFFAOYSA-N 427.564 4.126 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 919910218 GZKMQAZLSBIRAH-FQEVSTJZSA-N 445.947 4.056 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OCC(F)(F)F)c1 920193101 JLLPTLOTDIBERP-UHFFFAOYSA-N 449.473 4.132 10 20 IICD Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1C 920881895 RIBKNBDCODBGRX-HNNXBMFYSA-N 442.610 4.114 10 20 IICD CC(C)n1ncc2c1[C@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CCC2 1116628513 BIYCWJCWYUFKIX-LLGFUMIMSA-N 443.567 4.094 10 20 IICD Cc1ncncc1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 1317946967 QUFNWQFNMLYIPN-OAHLLOKOSA-N 429.423 4.222 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 1330071800 ZGSMSSTVDWCOHL-RUZDIDTESA-N 437.971 4.114 10 20 IICD Cc1ncsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795170012 VBWBUKOYUWKJGX-QQFNCUIESA-N 448.592 4.425 10 20 IICD Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccc(N(C)C)cc1 18215433 MXCUAYXTYATURM-UHFFFAOYSA-N 444.457 4.073 10 20 IICD Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c(C)n1-c1ccc(F)cc1 25299852 HLYYCAZGMBMJHT-QGZVFWFLSA-N 446.486 4.277 10 20 IICD COc1ccc(N2CCCN(C(=O)CSc3ccc(Br)cc3)CC2)cc1 108428172 PHQXLHIKYFZOIF-UHFFFAOYSA-N 435.387 4.289 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cc(Br)ccc3F)CC2)cc1 726613853 PMNRPSRSICYLPA-UHFFFAOYSA-N 436.325 4.065 10 20 IICD CCc1cccc(CC)c1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726726369 LMOBKTLHYJTEFO-UHFFFAOYSA-N 445.510 4.137 10 20 IICD CN(C)c1ccc(N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 728840269 WZYTXPUMYRDPIL-NBVRZTHBSA-N 445.635 4.459 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 730681647 GGWQRRISIBLHJG-SFHVURJKSA-N 442.579 4.146 10 20 IICD Cc1cnc(-c2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)o1 731406481 MIOVFYYILZNLRY-UHFFFAOYSA-N 431.448 4.116 10 20 IICD C[C@@H](NC(=O)Cc1ccc(Cl)cc1Br)c1ccc(N2CCOCC2)cc1 733218602 ZBIIJFUEPAYMMV-CQSZACIVSA-N 437.765 4.359 10 20 IICD CC(C)n1ncc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc21 737111640 ZKXYRNRNGVQZFQ-UHFFFAOYSA-N 432.480 4.083 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(O)c2cnn(-c3ccccc3)c2n1 738298970 KIERZWCUWAPYNG-UHFFFAOYSA-N 428.540 4.143 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 742498621 RROLXMPKLPSACK-UHFFFAOYSA-N 431.458 4.306 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(Cl)c2)NC(=O)OC(C)(C)C)cc1 742749303 FQHQXPQFVVAPMY-FQEVSTJZSA-N 431.964 4.331 10 20 IICD CCSc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1 742750496 CMWLIEPJUPMVBC-LJQANCHMSA-N 444.601 4.255 10 20 IICD Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)c(C)n1-c1ccccn1 742851064 MKFKCUKHGJWJPG-OAHLLOKOSA-N 428.330 4.449 10 20 IICD Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 742904345 FHIYTWMDMVAAQK-HXUWFJFHSA-N 440.569 4.026 10 20 IICD CCO[C@H](C)c1noc(CN2CCN(Cc3cc(CC)cc(C(C)(C)C)c3O)CC2)n1 743377380 LRFRBHAHSCTJLD-QGZVFWFLSA-N 430.593 4.050 10 20 IICD CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cc(Br)ccc1O 744427059 XFWFHZHAAFRZFN-UHFFFAOYSA-N 433.262 4.135 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 745876307 YJOMBPHOBRFLNI-LJQANCHMSA-N 447.482 4.111 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1 746231133 DZZMVTKCLAKGGM-UHFFFAOYSA-N 433.955 4.217 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCCC3CCN(CC(F)(F)F)CC3)cc2)CC1 748972613 ZTVSFSSBTAZUGI-UHFFFAOYSA-N 440.554 4.387 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1 749905549 LDJLSGSMFVAYCG-UHFFFAOYSA-N 433.552 4.035 10 20 IICD C[C@H](CCc1ccsc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765602575 BBVUOZXIONYYSB-GOSISDBHSA-N 425.577 4.115 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cnccc3-c3ccccc3)cc2F)C[C@@H](C)O1 766115580 WURNITHJBKAVLP-KDURUIRLSA-N 449.526 4.197 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 768702119 OVOBTFBEBUVGIW-SFHVURJKSA-N 443.416 4.294 10 20 IICD CCCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769647510 PPUKHXCQUXFLBM-UHFFFAOYSA-N 430.551 4.307 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1 769844855 CXPMZKCVXIVELA-XMMPIXPASA-N 444.522 4.432 10 20 IICD CC(C)(C)Oc1ccncc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 770088887 MBGFDIZYXFIABV-UHFFFAOYSA-N 447.538 4.079 10 20 IICD O=C(Cc1ccccc1I)NCc1ccc(N2CCCCC2)cc1 771249042 CQVIGMDWGDBMSM-UHFFFAOYSA-N 434.321 4.140 10 20 IICD O=C(NCc1nc(COc2ccccc2)n[nH]1)N(Cc1ccccc1O)C1CCCCC1 771374645 ABJAZKOPRZNCLT-UHFFFAOYSA-N 435.528 4.134 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1C(F)(F)F 771401614 OXOPYVIAVPQJBU-UHFFFAOYSA-N 430.829 4.389 10 20 IICD C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 775255406 OMJKNHRGLPDYRW-HZPDHXFCSA-N 436.383 4.358 10 20 IICD COc1ccc(NC(=O)c2cccc(O)c2O)cc1NC(=O)c1ccc(Cl)cc1F 776341324 OQUYZZHRNLEUIR-UHFFFAOYSA-N 430.819 4.404 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCCCS(=O)(=O)Cc2ccccc2)c1O 779001928 CZXHPNNMNZPVMT-OAHLLOKOSA-N 426.376 4.119 10 20 IICD Cc1cc(Br)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 783318681 ZNWNFDFOLJHBGS-UHFFFAOYSA-N 432.362 4.199 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 783460491 IWIIHRGHBXKHID-QGZVFWFLSA-N 429.538 4.226 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(F)cc2Br)C2CCCCC2)cc1 784061614 QTBOLWOAIGDRBJ-UHFFFAOYSA-N 434.309 4.475 10 20 IICD O=C(NCc1ccnc(Oc2ccccc2F)c1)NCc1cccc(Br)c1O 787390000 FGWGVKUCPYIILJ-UHFFFAOYSA-N 446.276 4.481 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCSc4c(F)cccc43)cc2)CC1 788466598 ZSMGMVQJXKUBAL-NRFANRHFSA-N 441.572 4.032 10 20 IICD COc1cc(O)c(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1OC 789596180 JICCLPHZEZFUIC-OAHLLOKOSA-N 425.312 4.001 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cccnc3OCc3ccccc3F)CC2)cc1 790564281 DXZCUBDIVRNZQH-UHFFFAOYSA-N 435.499 4.207 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 800752440 QGORECVRVZPBLK-SFHVURJKSA-N 446.345 4.188 10 20 IICD CO[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1 802754254 NOIGDTJZJSNHKP-IFMALSPDSA-N 435.572 4.004 10 20 IICD C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 808747560 QRZSQNZIOYLUOJ-XOBRGWDASA-N 429.483 4.119 10 20 IICD CSCc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 808976485 OPUOOZGKOTZJKF-UHFFFAOYSA-N 446.484 4.163 10 20 IICD CSCc1cc(F)ccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 809145407 VAWNNRKAWNMDBF-UHFFFAOYSA-N 444.572 4.372 10 20 IICD CCc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1 812435440 JFUFVXZMNDMBQW-OAQYLSRUSA-N 436.556 4.331 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)c(C)n1-c1ccccn1 914903538 NOKKXTXTTYPUGU-HNNXBMFYSA-N 429.423 4.275 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC(=O)c2cccs2)cc1 916456039 GUQASUXEDSYLES-UHFFFAOYSA-N 436.493 4.343 10 20 IICD O=C(Nc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)c1ccco1 916673931 VYRKDSOUASKLMY-FQEVSTJZSA-N 435.480 4.451 10 20 IICD O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916699605 UOASLLSKDNQRTQ-GOSISDBHSA-N 431.483 4.484 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c12 917710668 CNQUTVJUBMAKHV-OKILXGFUSA-N 438.503 4.091 10 20 IICD COc1ccc(SCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917712489 PENNMQKSNKWFBR-IRXDYDNUSA-N 432.561 4.247 10 20 IICD CO[C@@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1 918018444 UHTWTILIQQVWJV-XIDKLXSXSA-N 446.619 4.233 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1 918739464 BOPBKHPWPGMSOB-ZDUSSCGKSA-N 435.596 4.486 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3csc(COc4ccccc4)n3)SC2=S)CC1 920471875 GGTHHNRUFDJQPZ-GZTJUZNOSA-N 431.608 4.018 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cc(Br)c1O 1120661631 USSVWBZUPNRLIR-UHFFFAOYSA-N 442.151 4.255 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3nc4ccccc4cc3Br)CC2)cc1 1324090839 LSFOEIONTQOIHS-UHFFFAOYSA-N 440.341 4.358 10 20 IICD COC1(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCC1 1800514858 DYMVWKHZFLQWSQ-VILGAWFOSA-N 449.595 4.305 10 20 IICD C[C@@H]1C[C@]1(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739895 FFGGNTWKQWXHGI-ZPBXOSQXSA-N 434.964 4.031 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(-c3csc(CC(=O)NCc4ccco4)n3)c2C)cc1 26158727 CUYKCJZGKHZKTJ-UHFFFAOYSA-N 449.532 4.456 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 303138017 CKYBYUNMNXIDKK-JTHBVZDNSA-N 425.548 4.263 10 20 IICD Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)CC2)oc1C 303301688 IQTTXGPAICFZFU-UHFFFAOYSA-N 426.948 4.310 10 20 IICD Cc1cc(C)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1Br 472778871 XIVVNZCPEJHYNB-UHFFFAOYSA-N 428.330 4.121 10 20 IICD C[C@H]1CN(c2nc3ccccc3nc2N2CC=C(c3c[nH]c4ncccc34)CC2)C[C@H](C)O1 484930813 CSQXAKMWVDFHQT-ROUUACIJSA-N 440.551 4.413 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490427976 TUKKHPAHSNVFRH-UHFFFAOYSA-N 433.390 4.252 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn2ccc(Br)cc2n1 516520215 MXSUOCHVAFJNAC-KPKJPENVSA-N 427.327 4.429 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)n(C)c2ccccc12 552822973 PAUIWJMJLGYSSQ-QGZVFWFLSA-N 427.957 4.110 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)CCCOc3ccc(Cl)cc3)CC2)cc1 726717014 WEMKWDOJMDSZTB-UHFFFAOYSA-N 431.964 4.428 10 20 IICD CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 727248225 KGWKXYMKLFTVRQ-UHFFFAOYSA-N 446.510 4.176 10 20 IICD COc1cccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1O 727762990 UKKDPQSTNYEIBV-UHFFFAOYSA-N 432.270 4.265 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C 730489285 UFWZVKKRLQXXFK-KRWDZBQOSA-N 446.638 4.050 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 733847355 DDSQVKQIAKADJR-MRXNPFEDSA-N 435.503 4.099 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)cc1 747377101 VVBOMCTWDMOGSM-NKKJXINNSA-N 435.572 4.492 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1 747473564 HPBSGXQSXVYYBW-VXKWHMMOSA-N 443.385 4.078 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)cc2)C1 747875432 MDWQMZCLXAKOLX-HXFQDRMMSA-N 445.607 4.054 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2C)c1 749403091 KCQYDBKCZBOSCJ-UHFFFAOYSA-N 435.490 4.242 10 20 IICD CSCc1nc2ccccc2n1CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 751306330 SSMPYMCUJXFKCV-UHFFFAOYSA-N 428.521 4.248 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4)c3C(C)C)CC2)cc1F 753157940 JZMKBZLGJUQXLM-UHFFFAOYSA-N 437.519 4.498 10 20 IICD CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(-c5ccccc5F)cs4)ccc1c23 753692344 SUAOIHYKESKLTK-UHFFFAOYSA-N 439.493 4.493 10 20 IICD C[C@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1 753765695 YULHLFRBASLOMO-SFHVURJKSA-N 435.584 4.350 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2cc(Br)cc(F)c2O)cc1 756359261 OTHALFNRDZWQFB-YWZLYKJASA-N 437.353 4.326 10 20 IICD C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 758448984 KPATWQAEOKJFIL-IIBYNOLFSA-N 430.499 4.445 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c1 759504026 MULYLGABEZGOJF-ZDUSSCGKSA-N 442.418 4.287 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1ccccc1Cl)N1CCCC1 760945304 WONQSRMKOHAAJV-IBGZPJMESA-N 448.350 4.300 10 20 IICD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc21 761636645 MNVAXHUHMYGOBM-UHFFFAOYSA-N 427.501 4.150 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cnc4onc(CC)c4c3)n2)cc1 762577551 FAPOXAQAKZKTTH-UHFFFAOYSA-N 430.511 4.108 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1F 762657716 NPSTUHAVEBDNMH-IERDGZPVSA-N 436.934 4.176 10 20 IICD COc1ccccc1[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 764550800 VYEDMAPDHXOCEI-NTKDMRAZSA-N 427.564 4.159 10 20 IICD CCCc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccccc1C 764663502 PJZBYJMPVCPXPJ-SFHVURJKSA-N 433.556 4.015 10 20 IICD Cn1ccc([C@H](NC(=O)NCc2cccc(Br)c2O)c2ccc(Cl)cc2)n1 765537411 QGEUYTCKMBLOQJ-QGZVFWFLSA-N 449.736 4.130 10 20 IICD COC[C@H]1CCCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 767248213 FXJVBQDSNBAMKQ-ZKMNFCBKSA-N 438.640 4.005 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)cc1 769208105 UYLNHGGJMJLFLY-OAQYLSRUSA-N 440.563 4.004 10 20 IICD COc1ccc(N2CCC(N[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)CC2)cc1 773052259 XRJBMIIKPBXZLE-SFHVURJKSA-N 433.474 4.078 10 20 IICD Cc1cc(C(=O)CN(C)CC2(O)CCOCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 781967386 YEGOAGCPGIJRJH-UHFFFAOYSA-N 425.356 4.057 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)c1cc(C(=O)OC)ccc1O 783314485 ZMQFYEYIRWTZCZ-MRXNPFEDSA-N 428.529 4.366 10 20 IICD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)oc12 785540274 URBJBHUZCUYCJD-QGZVFWFLSA-N 437.540 4.171 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)cc1 785981971 YWDUOBNWTOQVAL-DEOSSOPVSA-N 425.529 4.027 10 20 IICD Cc1cc(C)c(N2CC[C@@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)c(C)c1 789082479 CVFGQWCBPUUPAE-HXUWFJFHSA-N 435.549 4.204 10 20 IICD Cc1cccc([C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(F)c2)c1 800971385 KVTKDOFPKTUWJM-RUZDIDTESA-N 438.568 4.248 10 20 IICD COc1ccc(N2CCN(c3nnc(C4CCC4)n3Cc3cccs3)CC2)cc1F 802698724 SIVCRUPGJXSKNP-UHFFFAOYSA-N 427.549 4.130 10 20 IICD Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1 803677333 MKBSKACTMKWEMY-KRWDZBQOSA-N 442.629 4.365 10 20 IICD CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)sc2C1 806886052 KTBCAXJFGMTOIU-ZIAGYGMSSA-N 445.585 4.214 10 20 IICD Cc1cc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c(C)n1-c1cccc(Cl)c1 807895665 KUUZTSKNXXELKR-SFHVURJKSA-N 439.943 4.488 10 20 IICD CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(Br)cc(OC)c1O 809735423 GLUQXBUDGLYPNA-IBGZPJMESA-N 434.378 4.045 10 20 IICD COc1ccc(N2CCCN(c3nnc(Cc4ccsc4)n3CC(C)C)CC2)cc1 812215274 LGOHQDDSINVTOI-UHFFFAOYSA-N 425.602 4.312 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2F)CC1 813860063 DNLXFBJOHOLLLF-RDPSFJRHSA-N 429.555 4.364 10 20 IICD COCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 914851275 ACEZLMPHGFVFIB-UHFFFAOYSA-N 440.493 4.401 10 20 IICD O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[n+]2[O-])c1 915988296 UDRIRZNLJWTTFV-CLFYSBASSA-N 447.451 4.359 10 20 IICD CC1=C(C(=O)N(C)C)[C@@H](c2ccc(N3CCCCC3)cc2)NC(=S)N1c1ccccc1 917377719 YJHMCUJHDUZDDV-HSZRJFAPSA-N 434.609 4.475 10 20 IICD O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 917708541 IOIIXZLTRAVKTJ-UHFFFAOYSA-N 436.483 4.150 10 20 IICD CCOc1ccccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 919854725 SHIQOKVRZFKZGL-AQTBWJFISA-N 446.619 4.445 10 20 IICD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1[N+](=O)[O-] 919861403 NCPJESXFENGQFN-UHFFFAOYSA-N 438.513 4.117 10 20 IICD COc1ccc(Cl)cc1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1116046283 DSKOWXGCRJCMCG-HOTGVXAUSA-N 449.954 4.143 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nc(-c3ccccc3)no2)cc1 1262174027 CTXZYSUXSBXNDU-UHFFFAOYSA-N 432.446 4.326 10 20 IICD COc1ccc(C[C@@H](CO)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1O 1340818001 LXUHUPXBBHEBER-GOSISDBHSA-N 442.943 4.043 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1 1792297787 KITRQDPZIRKITI-NTUHNPAUSA-N 436.508 4.141 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2[C@H]3SC=C[C@H]32)cc1 1801324267 OHHXQKCQLZZEGR-OCAXILEQSA-N 447.604 4.221 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 108466703 HKRLLRMDTGDJCC-HZPDHXFCSA-N 442.560 4.391 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OCc1ccccc1 215670833 GSVRJQQVAJENBZ-CPNJWEJPSA-N 443.546 4.340 10 20 IICD CCn1ncc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc(-c3ccccc3)nc21 437020716 DKELNDBICBCIFB-UHFFFAOYSA-N 427.508 4.223 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2C)no1 726564546 NFERUTNUMQGXPL-UHFFFAOYSA-N 444.482 4.391 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)CC2)cc1 726708342 LFLZKCKDKOBKIW-PKTZIBPZSA-N 427.520 4.023 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2cccc(C(F)(F)F)c2)CC1 728713883 BVGMJRLCSCXVHH-UHFFFAOYSA-N 436.449 4.154 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(CN2CCCC2)cc1 729359086 BQZXPDYGDGRKLR-UHFFFAOYSA-N 429.511 4.283 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 729535094 JVTBTGCNGHSFLJ-NSYGIPOTSA-N 434.536 4.115 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)cc2)CC1 731048328 JHZOJMVECVVKDU-HSZRJFAPSA-N 435.547 4.384 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F 731363892 PGAIWZWNQCANEB-UHFFFAOYSA-N 430.593 4.225 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)ccc1F 732918248 ASMKXFKMLDYDTA-MRXNPFEDSA-N 427.474 4.071 10 20 IICD CC1CCN(C(=O)c2ccc(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2)CC1 732920908 FUTOJOUUMPUUBS-KDURUIRLSA-N 440.563 4.319 10 20 IICD Cc1cc(C(=O)NCc2cc3c(nc2O)CCC3)c(C)n1-c1ccc(Br)cc1 733180253 SVZUTJLUNIUKEI-UHFFFAOYSA-N 440.341 4.376 10 20 IICD C[C@H](c1cccnc1)N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 734168678 ZZFRWDLFMZCDBJ-OAQYLSRUSA-N 435.616 4.439 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)C[C@H]3CCOC3)c2C)ccc1Br 740384398 PNXHOZKEFXHICC-MRXNPFEDSA-N 434.330 4.318 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 740917079 LCFVVDZPKIEYTA-LJQANCHMSA-N 430.474 4.160 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)CCC3)NC(=O)OC(C)(C)C)cc1 742753949 MRLJEKDOIPADFF-QHCPKHFHSA-N 437.584 4.166 10 20 IICD COCCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745906153 XRUIXQIJVXOQQX-HXUWFJFHSA-N 447.526 4.158 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N(Cc1ccco1)C[C@@H]1CCCO1 745906212 YOMOMNYSQCPMOV-UTKZUKDTSA-N 449.498 4.241 10 20 IICD CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccc(N2CCOCC2)c(F)c1 746761964 RNKIRFAIILWREL-UHFFFAOYSA-N 427.442 4.023 10 20 IICD C[C@@H](Nc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-])c1ccccn1 746814300 MDGFJMGPBFPEOM-QGZVFWFLSA-N 445.523 4.475 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(OCC3CC3)nc2)cc1 749187939 CHLYWQVHJBWVTC-UHFFFAOYSA-N 434.540 4.441 10 20 IICD CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751299856 QWGQLJAZIWDFSN-UHFFFAOYSA-N 441.535 4.452 10 20 IICD COCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)sc2cccc(F)c12 753739057 PDSDOUZUFYDGDM-UHFFFAOYSA-N 432.492 4.297 10 20 IICD COc1ccc(N2CCN(C(=O)NC[C@H]3CCCO[C@H]3c3ccc(C)cc3)CC2)cc1F 753919753 VRJDEOZNSCLSHX-YKSBVNFPSA-N 441.547 4.142 10 20 IICD C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 757645397 NCUWCVCUZJLJRV-SSZFMOIBSA-N 442.562 4.430 10 20 IICD CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCCSc2nccs2)CC1 758508118 YTTNOBQKWJWMNJ-UHFFFAOYSA-N 440.038 4.242 10 20 IICD COc1cc(N2CCN(C(=O)[C@@H](CC(C)C)c3ccccc3)CC2)cc(OC)c1OC 759238230 DTKRHJNZPBSWJR-NRFANRHFSA-N 426.557 4.191 10 20 IICD C[C@@H]1CN(c2ccc(CN3C(=O)N[C@@H](c4ccc(Cl)c(F)c4)C3=O)cc2F)C[C@@H](C)O1 761093966 WQPDCAVPSZFCCL-IZDJOXEWSA-N 449.885 4.025 10 20 IICD Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1-c1ccccc1 762643142 YUZYQABXCGAFRK-FQEVSTJZSA-N 443.547 4.315 10 20 IICD CN1CC[C@@H](CNC(=O)NCCCSc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 763027318 ADULVRQTOWEGPT-YOEHRIQHSA-N 443.013 4.410 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1cccc(Br)c1O 764782639 GRKLEAGWEAIJMM-APPDUMDISA-N 427.726 4.384 10 20 IICD COc1cc(N2CCN(C(=O)Nc3c(C)cccc3SC)CC2)cc(OC)c1OC 771290981 WMNILDVITWJTNT-UHFFFAOYSA-N 431.558 4.097 10 20 IICD CCOc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 771447253 OAEKKDZOZFMZIG-IBGZPJMESA-N 432.520 4.311 10 20 IICD Nc1nc(CCN(Cc2ccccc2O)C[C@H]2CCCO2)nc2sc3c(c12)CCCC3 772202819 WSEKFTUKISXYLV-QGZVFWFLSA-N 438.597 4.082 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)c1 773858968 TXAGWXMLHJGSSZ-KRWDZBQOSA-N 433.508 4.369 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(I)c1OC 775364505 RHHHOFHPJUISCW-CYBMUJFWSA-N 440.325 4.225 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 777835532 ARHOWNGEIMQVQG-HXUWFJFHSA-N 431.536 4.191 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 778893447 UGSKYWFUPXHADU-UHFFFAOYSA-N 445.216 4.327 10 20 IICD CC(C)CCn1nccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 779469589 PNJWPQOWXDDFPV-UHFFFAOYSA-N 439.482 4.106 10 20 IICD COc1cc(Br)cc(CN[C@@H](CCO)c2ccccc2Br)c1O 781639651 SNNCUOIHIAZSCB-HNNXBMFYSA-N 445.151 4.139 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O 782293903 HLAPEXFYSDJAKJ-MRXNPFEDSA-N 445.441 4.381 10 20 IICD CC(=O)NCCc1ccc(C(=O)[C@@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)cc1 783080209 NRRBMQPHVJMXSY-QGZVFWFLSA-N 438.549 4.262 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)cc2)CC1 786263539 YWVRLXIWPHAYKQ-UHFFFAOYSA-N 432.568 4.064 10 20 IICD COCCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CC[C@@H](C)C1 790283839 LDIFZKISKHDMJN-APWZRJJASA-N 425.520 4.103 10 20 IICD CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2c(O)ccc(Cl)c2F)c1 790971942 BAZDPKWJTRYAAE-UHFFFAOYSA-N 436.892 4.065 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3C(F)(F)F)SC2=S)cn1 794859497 VEOVTMCGDWBEFV-CHHVJCJISA-N 426.489 4.394 10 20 IICD Cc1cc(Br)cc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O 798083194 QUCFZXVAYPWIGD-HUUCEWRRSA-N 433.346 4.325 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncsc4c3)cc2Cl)C1 800636927 QYOQMUNBMDYDII-CQSZACIVSA-N 442.972 4.441 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 807767754 SOMBGGWKXWAQFJ-LJQANCHMSA-N 431.536 4.460 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nnc4ccccc4n3)c2C)c1 811312479 BQYULPOAFYETGY-UHFFFAOYSA-N 432.505 4.194 10 20 IICD C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)NC[C@H]1CCCO1 814772792 DZORUCWVPNOJEM-ZWSCYVBNSA-N 432.592 4.289 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1snc(Cl)c1Cl 816889877 PKJDELRZLIVNHN-UHFFFAOYSA-N 440.274 4.235 10 20 IICD O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 819427544 OUXHMWPUKZMMQO-HNNXBMFYSA-N 449.878 4.434 10 20 IICD CO[C@@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1 918018442 UHTWTILIQQVWJV-NAVNFMRLSA-N 446.619 4.233 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918223336 ZSHUTQVIMIIDPO-IXFSTUDKSA-N 441.547 4.495 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 919822678 YOGLAQZZDPZVQN-UHFFFAOYSA-N 427.570 4.104 10 20 IICD COc1cc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)ccc1C 919858913 GGAWTNPRFOIPPF-LDADJPATSA-N 446.619 4.363 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 920147954 NRDDYAPPTCZTIV-UHFFFAOYSA-N 447.900 4.304 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(COCC2CC2)c1 920922782 SDDAGGZGRUPDFA-UHFFFAOYSA-N 435.568 4.201 10 20 IICD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1 1256175546 NMYFBZLORBIART-KBPBESRZSA-N 442.903 4.297 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(-c2ccccc2F)cc1Br 1319024790 BZFUQOLIDZPWFH-UHFFFAOYSA-N 431.309 4.112 10 20 IICD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)sc1C 1844621738 KPVZEACGIUPHBY-UHFFFAOYSA-N 448.592 4.298 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2F)C3)cc1 1845398782 CHNVIHZWCGYEJC-UHFFFAOYSA-N 431.511 4.364 10 20 IICD Cc1ccc2nc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)cc(=O)n2c1 29072482 RPNJJTIVCTVPJZ-FQEVSTJZSA-N 432.549 4.338 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)c2C)cc1 106010202 ZHYVTQBDKJGILW-UHFFFAOYSA-N 446.551 4.444 10 20 IICD CCc1cc(O)nc(-c2ccc(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc2)n1 301419148 CBRYIYAUFTWJPO-KRWDZBQOSA-N 441.482 4.489 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 303685150 KDNMZFFDVCNUTK-QHCPKHFHSA-N 429.520 4.493 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)c2C)cc1 303722399 BFOVEPPDTHEXJT-UHFFFAOYSA-N 433.552 4.496 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCc4c(ncn4-c4ccccc4)C3)ccc21 482238981 KUFUPDIDUXQQKY-UHFFFAOYSA-N 428.536 4.289 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(OC[C@@H]2CCCO2)c1 726565294 AAXFNZPKWQLBMN-QFIPXVFZSA-N 446.494 4.245 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 726714142 UALHZKQTPYOTLH-OFVILXPXSA-N 437.584 4.473 10 20 IICD CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc2O1 727363896 HSLHBVIASLODQB-QFIPXVFZSA-N 429.480 4.054 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 731280402 SVFUFSAQEIWEHD-OAQYLSRUSA-N 431.964 4.041 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)OC)c3C)n2)cc1 731299914 ZDKCABKXGSMAEH-UHFFFAOYSA-N 432.523 4.105 10 20 IICD CCOc1ccc([C@H]2CCCN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)cc1 732526687 PJZPAILKPMYFNR-RUZDIDTESA-N 438.568 4.163 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 734702368 ZJNSYWGARPPBSZ-HOYKHHGWSA-N 437.584 4.411 10 20 IICD C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(N5CCC(C(N)=O)CC5)c4)cc3c2C1 739766014 LRJINBPSPNCCNK-INIZCTEOSA-N 430.552 4.247 10 20 IICD CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 740609149 FSXAEYNFIKNDAI-UHFFFAOYSA-N 429.586 4.206 10 20 IICD CN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 740919404 QWJXALSLWUMRBW-UHFFFAOYSA-N 430.346 4.046 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(Sc2ccccc2)c1 741099558 FJPMWSJIYWBWMS-UHFFFAOYSA-N 429.545 4.469 10 20 IICD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)C1 741099574 GEGDNWHLPKQKAP-CJFMBICVSA-N 447.579 4.413 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)CC2)cc1 741921353 QVYOCGNGLGWGHF-UHFFFAOYSA-N 427.520 4.218 10 20 IICD CCOc1ccc(O)c(CN[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c1 742392543 QMWKSCOREDJZLV-DEOSSOPVSA-N 441.549 4.082 10 20 IICD CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743130149 NNPHEYDOTWDRAR-QGZVFWFLSA-N 432.471 4.061 10 20 IICD CCN(Cc1ccccn1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 752471662 KHNSRLRYRHNYEB-GHRIWEEISA-N 431.608 4.173 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C2CCCCC2)no1 752858677 CIQPFWGKKFLDAZ-MRXNPFEDSA-N 429.590 4.231 10 20 IICD O=C(Cc1nc(-c2ccc(F)cc2)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1 753836759 AYBXZVPPSXFRDU-LJQANCHMSA-N 426.513 4.405 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 755125925 FAJCNJGTIOAYNJ-DEOSSOPVSA-N 437.490 4.390 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(Br)ccc2OC(F)F)c1 756685965 OYQSYXVBASOMQA-SNVBAGLBSA-N 430.245 4.394 10 20 IICD COc1cc(Cl)cc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1O 761214205 ABQCYGOQCBWJHC-OAQYLSRUSA-N 431.941 4.337 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1 761466094 MKFNVUUJZOWCAV-CZUORRHYSA-N 433.451 4.427 10 20 IICD O=[N+]([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1Cl 761521058 ITCHCNJMIVYQTC-UHFFFAOYSA-N 429.826 4.393 10 20 IICD CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 762735960 QTNRIMBSIJDUNL-YTFSRNRJSA-N 431.621 4.427 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 764197344 JSEKIGJHTHWSEG-UHFFFAOYSA-N 443.809 4.034 10 20 IICD O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccc(Br)cc2)ccc1N1CCCCC1 767426820 RTBXPEVNYWDEKS-SFHVURJKSA-N 434.334 4.171 10 20 IICD CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 768822548 DDGJASWSIDXBFM-SFTDATJTSA-N 425.331 4.059 10 20 IICD Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 769872803 FORAFTSXLBUHLN-GCJKJVERSA-N 427.976 4.354 10 20 IICD O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 774732499 IRMZNISAGRDQBL-UHFFFAOYSA-N 441.575 4.241 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc(Br)cc(C)c3O)c2)CC1 783299781 WFSNJMMGYAMCRB-HNNXBMFYSA-N 432.362 4.305 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)cc(F)c1Br 785752256 GCTQWQPOKUXMJM-UHFFFAOYSA-N 441.728 4.350 10 20 IICD C[C@H](NC(=O)Nc1cc(Br)c(F)cc1F)c1ccc(N2CCOCC2)cc1 786170138 UVYPEEXPCZYJKH-LBPRGKRZSA-N 440.288 4.447 10 20 IICD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 789557104 HDTXOTMIWYTQFZ-UHFFFAOYSA-N 445.567 4.205 10 20 IICD O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 797395688 ZGIGWZLIUGXTHH-JBACZVJFSA-N 441.478 4.425 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4ccncc34)cc2Cl)C1 800636621 LSLZRELKKKLRSA-INIZCTEOSA-N 436.943 4.379 10 20 IICD Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nn1-c1ccccc1Cl 804251955 VWJCTSMUKFUJCC-UHFFFAOYSA-N 431.279 4.162 10 20 IICD Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C1CC1 805872184 MVGQZIMOTOTHMS-RUZDIDTESA-N 445.563 4.450 10 20 IICD CCc1nc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cs1 806115079 QZHMZFKFCJBYCZ-GJZGRUSLSA-N 449.020 4.089 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(-c2ccco2)cc1F 807991188 JBTRZPALDGWZTQ-UHFFFAOYSA-N 449.526 4.351 10 20 IICD C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 808780650 VWVXEMXFKGXKON-KOSHJBKYSA-N 432.520 4.344 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccc4C)n3C[C@H]3CCOC3)CC2)cc1 812409122 ZFRBBUGIRLRAOB-OAQYLSRUSA-N 447.583 4.015 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncccc1OCC(F)(F)F 857455983 KDZZFFXSVCXITP-ZDUSSCGKSA-N 445.388 4.023 10 20 IICD CCc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 916576756 NOVOYFYYSSNINS-UHFFFAOYSA-N 427.492 4.165 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(CCN4CCCCC4)cc3)CC2)cc1 918052865 XMBKEURIQMZLAD-UHFFFAOYSA-N 436.600 4.468 10 20 IICD Cc1nccc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)n1 918311800 ZMVULPUEMMXXHZ-UHFFFAOYSA-N 443.551 4.039 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 919860150 OIMMEJGTOGKUNW-LEWJYISDSA-N 433.577 4.499 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cnc2ccc(Br)cn12 577446070 CSMYZAWLZTXTBI-XFFZJAGNSA-N 427.689 4.404 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726097403 KCCFKVNZBJOWMQ-QUCCMNQESA-N 430.593 4.122 10 20 IICD CCOc1cccc2c1OCC(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)=C2 726567653 PDRZCMKUKXHAOV-UHFFFAOYSA-N 444.478 4.248 10 20 IICD CCC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccn1 729226599 JXOWFNQHQJLIFS-HXUWFJFHSA-N 436.478 4.278 10 20 IICD CN(C[C@@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1)C(=O)OC(C)(C)C 729466962 ZABCZEBTDZEXRO-KRWDZBQOSA-N 440.540 4.018 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)c2C)c1 729539083 FWBAXNHTYQAPIL-UHFFFAOYSA-N 431.580 4.289 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)cc2)CC1 731015697 BFUHHQQPZAIIBW-VXKWHMMOSA-N 435.612 4.462 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c4ncccc34)cc2)CC1 731131850 NUIDXBQRPVCRIP-UHFFFAOYSA-N 436.943 4.379 10 20 IICD COCCCn1ccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1 734829621 GCLVWFUTKWWVFH-UHFFFAOYSA-N 431.334 4.342 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCCCC[C@H]3c3ccco3)CC2)cc1 737030867 VXPYLXMKXOPAQZ-QHCPKHFHSA-N 440.588 4.127 10 20 IICD Cc1ccc(C[C@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 737648300 SRKYTAZAUDJRQP-LBPRGKRZSA-N 434.473 4.101 10 20 IICD CCOc1ccc([C@H](C)NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 738298254 GJNIHTNILHUJGJ-FQEVSTJZSA-N 439.600 4.393 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccco1)N1CCCC1 742714359 IPOKFCLJYGQMRP-QGZVFWFLSA-N 436.350 4.116 10 20 IICD CCO[C@H](C)c1noc(CN(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 742737336 YJBBPDYAZAJLQR-MRXNPFEDSA-N 430.936 4.429 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC2CCCC2)c(F)c1 743214516 MBEHGUXSQYZMJO-UHFFFAOYSA-N 431.483 4.445 10 20 IICD C[C@H]1CCCN(CCCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 743550256 YMHKQAMPEZDYKD-RBUKOAKNSA-N 438.563 4.068 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1 746361476 FZOIIJNJNNTTFQ-UHFFFAOYSA-N 445.629 4.023 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H](c2ccccc2F)C1 751068823 XEPRLOVFDKYJIN-AWEZNQCLSA-N 446.525 4.023 10 20 IICD Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CCC2 754784024 AZZQGZWAICZNEF-XMMPIXPASA-N 431.559 4.418 10 20 IICD CC(C)C[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)C(=O)Nc1nccs1 756782070 MIVRPJJDXZENIU-HZMBPMFUSA-N 430.343 4.454 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1[N+](=O)[O-] 759161166 SLZMWOPCMFUDOA-UHFFFAOYSA-N 425.875 4.181 10 20 IICD CC[C@@H](C)[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759221368 PMMLEHPOFWPXPB-WZONZLPQSA-N 426.557 4.191 10 20 IICD O=C(NCc1cccc(Br)c1O)c1nccnc1-c1nc2ccccc2s1 765728986 XBQUOWGPTXYTCX-UHFFFAOYSA-N 441.310 4.151 10 20 IICD Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1cccc(Br)c1 767768762 NLAAICGGWYTZBK-LJQANCHMSA-N 442.361 4.005 10 20 IICD COc1ccc(C(=O)N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)cc1OC 768235975 FRDAUTJQIKJAEE-UHFFFAOYSA-N 432.520 4.034 10 20 IICD COc1cc(Br)c(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(OC)c1 768482713 FMQBFXKYXAMBBD-OVCLIPMQSA-N 437.340 4.267 10 20 IICD CCOC(=O)c1c(NC(=O)CCN[C@@H](C)[C@H]2CCOC2)sc(C)c1-c1ccccc1 771815540 WFBFUXIJLFCNCS-YJBOKZPZSA-N 430.570 4.243 10 20 IICD COc1cccc(C(NCc2ccc(N3CCN(C)CC3)cc2)c2cccc(OC)c2)c1 771841221 FYFCHBIQDQHKEL-UHFFFAOYSA-N 431.580 4.335 10 20 IICD C[C@@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl 773051037 WINXGXFCGYMAFL-DVECYGJZSA-N 442.003 4.061 10 20 IICD CC(C)n1ncc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cnc21 782895427 BGRMIKORLYOMAW-UHFFFAOYSA-N 435.528 4.018 10 20 IICD COC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783481740 DFYHZTXGRKNRAV-MRXNPFEDSA-N 432.480 4.180 10 20 IICD CCc1nnc(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)o1 784106236 IJZURTAOWJHGJO-UHFFFAOYSA-N 433.512 4.043 10 20 IICD COc1cc(Br)cc(CNc2ccc(-n3nnnc3C(C)C)c(C)c2)c1O 784637296 COUZKXUBDKSNCL-UHFFFAOYSA-N 432.322 4.183 10 20 IICD Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 788830251 BMWJWKPPIVRADP-FQEVSTJZSA-N 436.508 4.245 10 20 IICD COc1ccc(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c(O)c1 794369473 FYWYOUGYLJLCPA-UHFFFAOYSA-N 442.581 4.214 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C 800637228 VJOJQQSDTIMTRQ-HZPDHXFCSA-N 445.995 4.307 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(C(F)F)cc4)n3)ccc2N1 808528131 SKNFCTOPCOMLRR-UHFFFAOYSA-N 435.477 4.433 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCO1 812440212 DMYLBCVTSGOEDE-JOCHJYFZSA-N 444.539 4.042 10 20 IICD Cc1cc(C(=O)CN2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 812859575 OPZUQGGJSXOKSE-INIZCTEOSA-N 430.417 4.245 10 20 IICD Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1Cl 917380566 FIBLLJOBQISPJU-UHFFFAOYSA-N 442.865 4.199 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C 918265884 KKRRYRCPDBVYCL-UHFFFAOYSA-N 444.535 4.346 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Br)cc2F)cc1 918308832 AEFCVUQBDIEGMD-UHFFFAOYSA-N 436.325 4.032 10 20 IICD Cc1cccc(OCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C 918616723 YFTPICAYYLAOJS-UHFFFAOYSA-N 436.474 4.244 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1SCc1ccc(F)cc1 919859629 CEXSEFLCXZWOCC-UHFFFAOYSA-N 437.540 4.280 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1)c1cc(O)nc(O)c1 1786465019 WLUQQBPBOKXOSK-KRWDZBQOSA-N 445.466 4.066 10 20 IICD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C1 108016942 BEEYMKGTINLUKM-KDURUIRLSA-N 441.597 4.206 10 20 IICD Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 109306716 USOHYSPSLDHPQY-UHFFFAOYSA-N 446.382 4.486 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)ccc21 482095440 PGRZZPXDYRJLCR-OAQYLSRUSA-N 433.552 4.395 10 20 IICD O=C(Nc1ccc(-c2nc(-c3cc(Br)cs3)no2)cc1)C1=S=CC=C1 520300727 YMXKDNXYBUSVQT-UHFFFAOYSA-N 432.324 4.444 10 20 IICD O=C(Nc1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc1)C1=S=CC=C1 545003393 SNKKUOHANHHVSM-UHFFFAOYSA-N 446.463 4.338 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3nnc(C)n3c2)c(C)n1-c1ccc(F)c(Cl)c1 726815856 USQUOWIXCGJVHG-UHFFFAOYSA-N 440.862 4.277 10 20 IICD O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc2c(c1)OCCCO2 727270905 RZCFANRDDJWAKB-UHFFFAOYSA-N 428.392 4.088 10 20 IICD Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cccc1OCC(F)(F)F 727947537 WZWDVTHGXDEAMI-UHFFFAOYSA-N 449.473 4.132 10 20 IICD CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 728458632 BAJZJGYVVJRSBP-XMMPIXPASA-N 449.595 4.114 10 20 IICD CC(C)COc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 728835563 FQWBKPUCZGORSQ-UHFFFAOYSA-N 431.536 4.466 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 728950123 DJVRCFXOHYHLQB-RTBURBONSA-N 443.613 4.383 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1 729862533 BRPZGVSWWABHDP-MBSDFSHPSA-N 432.520 4.448 10 20 IICD Cc1ccc(NC(=O)CSCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731015761 FAKVHFQEVGAYKB-UHFFFAOYSA-N 425.598 4.219 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCC(=O)c1cccs1 731563668 GVRLAEGWUPIXPG-UHFFFAOYSA-N 437.546 4.344 10 20 IICD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1O)C[C@H]1CCCO1 731857482 DFISMAFFLRJWTG-LJQANCHMSA-N 441.915 4.236 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 733847841 GYTZIQVTEWYEIJ-JKSUJKDBSA-N 434.496 4.170 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc(S(=O)(=O)N(C)C)c1C 739598078 DBEREGRZBLYHJD-UHFFFAOYSA-N 429.586 4.042 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 742475947 PRKIGYUOUOIVAH-UHFFFAOYSA-N 441.522 4.124 10 20 IICD O=C(NCc1cccc2cccnc12)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743570158 VJXYNLCWRAFKIS-SFHVURJKSA-N 426.467 4.304 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@]23CCc2ccccc23)NC(=O)OC(C)(C)C)cc1 743725604 VPDKBQFCQREYEK-KHVXQDHOSA-N 449.595 4.339 10 20 IICD CCCOc1ccccc1Oc1ncccc1CNC(=O)NCc1cccc(OC)c1O 745654268 AVKFIXXBTISOAX-UHFFFAOYSA-N 437.496 4.376 10 20 IICD COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)c1 745919899 OBGPRHXFJZNAEA-MRXNPFEDSA-N 435.528 4.246 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OC)s3)SC2=S)cn1 746523334 SMXIDOWSKONPKM-WDZFZDKYSA-N 443.369 4.329 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1 746677405 VIKAJHBQKDACRW-UHFFFAOYSA-N 441.553 4.125 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)cc2)C1 747875435 MDWQMZCLXAKOLX-TVQWTUMOSA-N 445.607 4.054 10 20 IICD O=C(Nc1ccc(C(=O)NCc2ccccc2O)c(O)c1)c1cccc(Br)c1 748345112 ISMVVDPRZVROLJ-UHFFFAOYSA-N 441.281 4.043 10 20 IICD COc1ccc(N2CCC(NC(=O)N(CC(C)C)C[C@H](O)c3ccc(F)cc3)CC2)cc1 748628168 QLGRDHIHSZEGHZ-DEOSSOPVSA-N 443.563 4.204 10 20 IICD Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2)n1 748635716 UMJHRSAAMPHCJE-UHFFFAOYSA-N 443.595 4.333 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(OC2CCCCC2)nc1 750327831 VOVVAEWVAFQXLA-UHFFFAOYSA-N 440.613 4.346 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)c(Br)c1 753636913 RPZNRNUAYVBTJQ-UHFFFAOYSA-N 441.728 4.133 10 20 IICD O=C(CCCc1cccc(Br)c1)NCc1ccc(N2CCOCC2)c(F)c1 760383161 ZMIYDWWWKPBJLP-UHFFFAOYSA-N 435.337 4.064 10 20 IICD Cn1nc(CNCc2cc(Br)cc(Br)c2O)c2ccccc21 761225787 LRGZBTZFNIXFMK-UHFFFAOYSA-N 425.124 4.094 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1 762439302 GJUXNZAQWLKKOQ-HUUCEWRRSA-N 447.482 4.081 10 20 IICD C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 762986719 BACHZGUVVSGVCW-CQSZACIVSA-N 445.585 4.194 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 763831325 HUJTYFJXMSUUMS-UHFFFAOYSA-N 447.457 4.438 10 20 IICD Cn1cc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)nc1Cl 764527663 ORGSVLYPPUHYIS-UHFFFAOYSA-N 429.763 4.366 10 20 IICD C[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 765356351 ZUSGDWPAHLUOMY-CPJSRVTESA-N 448.615 4.266 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)NCc1cccc(Br)c1O 765904798 WPSWUKXSTCUAIT-UHFFFAOYSA-N 439.309 4.385 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2)cc1C 773846617 MYRBRSYANZBSMZ-SFHVURJKSA-N 432.524 4.373 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1O 774877427 XJTLQIRIODZQDK-HNNXBMFYSA-N 444.875 4.392 10 20 IICD CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Br)ccc1O 775496263 DYOMLGCXQTUGBR-HXUWFJFHSA-N 449.389 4.107 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O 779021683 FKGHMLMJCQCDKN-ZIAGYGMSSA-N 441.391 4.125 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 783305785 NCUOTJDUWBHHJW-UHFFFAOYSA-N 426.856 4.009 10 20 IICD COc1ccc2c(c1)CCN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CC2 784498808 MCLYZDZREXHDMM-UHFFFAOYSA-N 445.510 4.076 10 20 IICD CCCCOc1ccccc1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O 785191417 ACHIRKTWSMEAFZ-UHFFFAOYSA-N 449.345 4.321 10 20 IICD COC1(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CCOCC1 785882383 OUTGIWRWPDGSCT-IBGZPJMESA-N 436.474 4.494 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 787463508 HTRAKGJCMSQADD-IRXDYDNUSA-N 447.963 4.473 10 20 IICD Cc1cc(C)c([C@@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c(O)c1 788614107 RGPJGYGXINXVBZ-QGZVFWFLSA-N 426.538 4.451 10 20 IICD COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OC 790478661 RFDBTOARWPOYCX-UHFFFAOYSA-N 445.975 4.355 10 20 IICD COC(=O)Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1 791044671 HCMHJMLRORGXSQ-UHFFFAOYSA-N 442.313 4.219 10 20 IICD CO[C@@H]1CCC[C@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 793570552 GCYIEEZZJODMRL-WMQCIHAUSA-N 433.593 4.030 10 20 IICD O=C1C[C@@H](Cc2ccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)C(=O)N1 796334175 NQKYSSGCALDDGQ-HSZRJFAPSA-N 425.532 4.067 10 20 IICD CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 800635870 ACBKJPPVBXUHFA-KRWDZBQOSA-N 445.995 4.074 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOC4(CCOCC4)CC3)cc2Cl)C1 800719454 KWVCRZPMRIIVSY-GOSISDBHSA-N 435.996 4.057 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 802302073 MOETUTSBPGLYTA-OAQYLSRUSA-N 445.510 4.173 10 20 IICD C[C@H](NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1)c1ccc(N(C)C)cc1 807140782 OAQZBNPEQXMCTQ-JXFKEZNVSA-N 427.549 4.027 10 20 IICD COc1ccc(-c2nsc(NC(=O)NCc3cccc(Br)c3O)n2)cc1 809926384 LAIFBDKNTILQAO-UHFFFAOYSA-N 435.303 4.004 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccoc3C3(O)CCOCC3)c2C)cc1 815452124 KYVMBDCLNFACSY-UHFFFAOYSA-N 437.492 4.033 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCCN(Cc2cccc(F)c2)C1 820006066 IGUNAJPOVLKRSW-IBGZPJMESA-N 429.499 4.386 10 20 IICD NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 829165795 DTXZSBCQAFTKMP-OAQYLSRUSA-N 445.479 4.383 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc(C(F)(F)F)cs1)c2[N+](=O)[O-] 915158626 NYBHYPVBEOGLLT-UHFFFAOYSA-N 447.350 4.098 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916645503 FMRNBRGUCBRKPD-OXJNMPFZSA-N 447.373 4.477 10 20 IICD Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc12 917386738 VXXWGVYDTIKOGQ-UHFFFAOYSA-N 443.576 4.212 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 917514921 QTTKFZBIALGNRK-UHFFFAOYSA-N 425.529 4.329 10 20 IICD CC(=O)Nc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 917932515 SBWJKBNRIDZBGP-HNNXBMFYSA-N 441.487 4.168 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(=O)oc2cc(O)ccc12 918023554 CILUMEKJWCBUKY-UHFFFAOYSA-N 436.489 4.446 10 20 IICD O=C(NCCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 918156691 SDNRJQHDRBZXGH-UHFFFAOYSA-N 426.319 4.011 10 20 IICD CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920060592 WAHZDBBHYCGKTN-TUNNFDKTSA-N 428.621 4.040 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(COc2cccc(C=O)c2)c1 1116014353 MKFPBHRFSXRKPL-UHFFFAOYSA-N 444.531 4.187 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 1319949905 NRDYSALDFKWYPM-KRWDZBQOSA-N 427.854 4.031 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ccccc3OC)n2C[C@H]2CCOC2)cc1 1327205435 MDDZKFYHRMWTRA-OAQYLSRUSA-N 449.599 4.473 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(C)C)CC3)cc1 1823440958 ZAUPJRGSDACDHX-SFHVURJKSA-N 436.581 4.432 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(O)cc2F)C3)cc1 1845399156 WHMXNKYBEVTDMZ-UHFFFAOYSA-N 447.510 4.070 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccccc12 195643302 BFZVMOGYHRPFCY-UHFFFAOYSA-N 429.442 4.329 10 20 IICD CCOC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 728021049 KPVXPXOYXMRYMK-QFIPXVFZSA-N 425.529 4.142 10 20 IICD Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 729328079 PMRZFHHGVUHDHS-UHFFFAOYSA-N 437.613 4.436 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccc4c(c3)OCCO4)cc2)CC1 731053210 HEKDQIYPJOZUAM-UHFFFAOYSA-N 432.524 4.014 10 20 IICD O=C(Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)c1ccccc1 731858786 NNKIMYZJMXNCJY-HSZRJFAPSA-N 430.504 4.466 10 20 IICD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCSc1nccs1 733880741 NDOWDUVMYOHIMQ-XDHFQJGLSA-N 435.659 4.099 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1F 737821746 VJOUGRTZEOSBJV-HSZRJFAPSA-N 435.499 4.176 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(F)c(Br)c1 743248453 DCMRKLMWZRRHHZ-UHFFFAOYSA-N 441.303 4.405 10 20 IICD CC[C@H](CSc1ccccc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 752650306 OZTWOJMDAGTRNM-OAQYLSRUSA-N 427.614 4.265 10 20 IICD COC(=O)c1cc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c[nH]1 753139354 SVMNAGDHYZTLKY-AUWJEWJLSA-N 426.441 4.222 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3cccs3)c2C)cc1 753706686 JBOYIXHRFYQPLF-DENIHFKCSA-N 440.565 4.129 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc4c(cc3O)CCCC4)CC2)cc1 756494537 FRNXAGMQCUANDX-SFHVURJKSA-N 442.625 4.384 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)ccc1OCC(F)(F)F 764412243 QBYSLVXMNOFANU-OVCLIPMQSA-N 444.456 4.416 10 20 IICD Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)s2)cs1 765170846 DYZREMISNRUNOS-AWEZNQCLSA-N 449.623 4.056 10 20 IICD C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 765331448 FZABQQYGSQTEFC-OALUTQOASA-N 429.992 4.264 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 765677051 DNOSCWONFFTGIH-RSXGOPAZSA-N 432.612 4.483 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1 766578102 QIXYHLDHFKFLPE-UHFFFAOYSA-N 427.593 4.106 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(N(C)C)cc1 773844744 GJJLKWSAYSGOQN-MRXNPFEDSA-N 428.964 4.212 10 20 IICD CC(C)[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1 774422562 ZDCBBGOHUDMLEM-NRFANRHFSA-N 440.531 4.427 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)ccc21 778721639 ZSQGNCPYMQNVFK-PXNSSMCTSA-N 443.588 4.280 10 20 IICD CC(C)Oc1ccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1 779204678 RKCWAFUAVSBDCN-ZSOIEALJSA-N 438.372 4.376 10 20 IICD O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)OCC(=O)c1ccc(O)c(O)c1 783132716 PDJBXNVNZHFOHX-UHFFFAOYSA-N 445.427 4.065 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc(Br)cc(F)c3O)c2)CC1 783300011 YCPDXFGNWSKGFF-ZDUSSCGKSA-N 436.325 4.135 10 20 IICD CSc1nnc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)s1 783868130 BMEJHZZRTWBJBE-UHFFFAOYSA-N 437.388 4.360 10 20 IICD CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 787878321 NDFVJVOAZSYZLV-FQEVSTJZSA-N 437.584 4.300 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1 800506159 MHYVAKONAKMRNU-SJLPKXTDSA-N 425.520 4.260 10 20 IICD COC(=O)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c([N+](=O)[O-])c1 806461007 WTKZVCIGYWRERE-UHFFFAOYSA-N 428.228 4.024 10 20 IICD C[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4ccc(S(N)(=O)=O)cc43)cc2Cl)C1 810240670 DQCWRGVAFHGFAG-OPAMFIHVSA-N 448.032 4.391 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@](CO)(c4ccccc4)C3)cc2Cl)C1 813159221 XVQLXOTZSQAFGP-KBMIEXCESA-N 442.003 4.422 10 20 IICD CN(CCOc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914333495 BFUOWTVEOFINJD-SDXDJHTJSA-N 446.619 4.267 10 20 IICD CCCOc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 916393769 JDLXCPCKNUORQK-FQEVSTJZSA-N 428.529 4.080 10 20 IICD CCCC(=O)Nc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916514109 XBDMVNUWNIRUAC-NRFANRHFSA-N 425.529 4.022 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc(-c2ccccc2)nc1 916835491 JNIRFPQGLVSQOO-UHFFFAOYSA-N 428.458 4.289 10 20 IICD COc1ccc(N2CCCN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CC2)cc1 917210486 MWKBUCKSWFJXSK-UHFFFAOYSA-N 427.564 4.174 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)cc1Br 917657857 AZDRLCJBFOKJGS-UHFFFAOYSA-N 429.355 4.254 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCCOc3ccc(F)cc3)cc2F)C[C@@H](C)O1 918203467 VBOHXIWLCWNUHV-HDICACEKSA-N 447.526 4.237 10 20 IICD Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cs2)cc1 919969048 VSRKNKZSVDWLEL-UHFFFAOYSA-N 435.593 4.186 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)CC4CCCCC4)n3)CC2)cc1 1321226218 DSOHNQUKZIZOSF-GOSISDBHSA-N 426.561 4.043 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(C4CCCCC4)n3)cc2F)C[C@@H](C)O1 1324729440 QMSTZZFAMYOSSZ-CALCHBBNSA-N 429.540 4.463 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)CN(C)C)cc3)CCC2)cc1 1787720156 MGQULMKZAWRHDD-UHFFFAOYSA-N 444.579 4.403 10 20 IICD O=C(CSc1ccccc1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1787774144 UAVNCXZSTWFOEY-UHFFFAOYSA-N 449.532 4.033 10 20 IICD CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821932392 HYCWSAPXZUAREQ-INIZCTEOSA-N 434.924 4.216 10 20 IICD COc1cc2c(cc1NCC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)oc1ccccc12 26781873 SOQDKORNYUISCT-UHFFFAOYSA-N 435.392 4.282 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]c(C(F)F)nc4c3)cc2F)C[C@@H](C)O1 110743669 FNZLFFVSFXCFLT-BETUJISGSA-N 432.446 4.183 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)c2C)c1 237655216 DUQWJFPUGCCFSL-UHFFFAOYSA-N 433.508 4.168 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)n1-c1ccc(C#N)cc1 303194523 MWFJZHNCQDBIEC-UHFFFAOYSA-N 428.536 4.075 10 20 IICD O=C(Nc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1)[C@H]1CCCO1 726241723 LJHFVKNSMRKYLD-HSZRJFAPSA-N 449.507 4.015 10 20 IICD COc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl 729854096 VHZPVWVKUWGWRU-UHFFFAOYSA-N 429.369 4.421 10 20 IICD Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 730119766 PDGSCHHTHPOQKH-FMKPAKJESA-N 434.581 4.415 10 20 IICD O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cc(O)cs1 732262540 CKKMFHIODZZTTH-UHFFFAOYSA-N 428.276 4.434 10 20 IICD O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 734280767 PVRQOTNMGLNEHC-RPWUZVMVSA-N 437.584 4.310 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 734702064 SJCLHIMZFTZWFR-UHFFFAOYSA-N 435.499 4.034 10 20 IICD O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 735917863 VGEZCIRWXVNDSY-UHFFFAOYSA-N 444.507 4.373 10 20 IICD C[C@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 737027497 PPTBATKEFDQDAY-IBGZPJMESA-N 439.556 4.211 10 20 IICD CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 741543339 BEWSYVWIWYBCIR-MRXNPFEDSA-N 429.948 4.262 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(C)c1OCC(=O)N1CCCCC1 741668675 OADNLLILTWDRGT-UHFFFAOYSA-N 449.595 4.225 10 20 IICD O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743116970 PEVJIKKZRXMJCI-INIZCTEOSA-N 446.454 4.035 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCO[C@H]3c3ccc(C)cc3)CC2)cc1 743707707 KRROWDGFKUBDQE-RDGATRHJSA-N 437.584 4.393 10 20 IICD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)NCc1ccc(N3CCCC3)cc1)C2 748298692 ZTUAVPGMFZQEAP-VXKWHMMOSA-N 427.589 4.471 10 20 IICD Cc1cc(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c[nH]1 748458148 INLUQSDVBDYOOI-UHFFFAOYSA-N 433.291 4.437 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)C2CC2)cc1 748964725 AHAWUPICVHWRRN-UHFFFAOYSA-N 426.527 4.091 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1Oc1cccc(F)c1 749731617 WXETVZUIOCSKHO-UHFFFAOYSA-N 431.514 4.312 10 20 IICD CCn1c(/C(Cl)=C\c2ccc3c(c2)CCN3C)nc2cc(S(=O)(=O)N(C)C)ccc21 751522021 IHBDFBVGQCOPJQ-QGOAFFKASA-N 444.988 4.036 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 755985518 OEAFKLPQKZOFNS-UHFFFAOYSA-N 429.292 4.296 10 20 IICD Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c(C)n1-c1ccccn1 756138427 UWHKAIQYFGBEIF-UHFFFAOYSA-N 439.519 4.452 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCc4c(F)ccc(Br)c43)cc2)C1 760325601 IMQDTHGLLPDNAL-QRWLVFNGSA-N 446.364 4.067 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 761626615 CJWGHJHVLNVPRR-UHFFFAOYSA-N 431.920 4.178 10 20 IICD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 764535544 RVIRRXGXPUHDNN-HKUYNNGSSA-N 447.938 4.154 10 20 IICD O=C(NCc1cccc(Br)c1O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 764766148 GDRXOENYBXEISW-CYBMUJFWSA-N 438.753 4.134 10 20 IICD CCCNc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 765466256 NPZDPXRNZLMPOB-HDICACEKSA-N 428.552 4.261 10 20 IICD COc1cc(O)c(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1OC 768444776 CPZHYSNNPVCCBD-UHFFFAOYSA-N 449.345 4.023 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3sccc3Cl)SC2=S)c1 778248456 QQHQKAMNXIHATO-ZROIWOOFSA-N 445.012 4.058 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1O 779012148 LOQZSSNJBBMTIW-KUHUBIRLSA-N 433.346 4.431 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)cc2)CC1 785070365 RNLIJNNHBHGXAE-UHFFFAOYSA-N 435.568 4.283 10 20 IICD Cc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cccc1N1CCNC1=O 786337795 UOECWMCFDDEWBD-UHFFFAOYSA-N 447.539 4.418 10 20 IICD COc1ccc2nc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)sc2c1 788686714 AVHZZAQSLXCXOO-OQLLNIDSSA-N 428.516 4.409 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC 799183264 HUYWAEQAMJRXFC-UHFFFAOYSA-N 438.914 4.060 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)cc2Cl)C1 799953684 WHNWQYZPJKPESK-YLJYHZDGSA-N 447.023 4.167 10 20 IICD Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2)n1 799995379 HODUOCKNJSGPEP-QAPCUYQASA-N 431.968 4.357 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 802610065 SRJNTRBDCNZDCZ-UHFFFAOYSA-N 425.312 4.475 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C2CC2)cc1 803842398 QEYQMEFLTBXVKN-FQEVSTJZSA-N 444.000 4.250 10 20 IICD CSc1cccc(F)c1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 804969292 OTAJEQVYMRCDHH-HUUCEWRRSA-N 435.540 4.300 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccc(OC(F)F)cc1 824022177 QGFFHKIDJNFWEC-PXNMLYILSA-N 448.451 4.414 10 20 IICD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 916670796 LZPKGYPGRCFRDI-UHFFFAOYSA-N 434.540 4.280 10 20 IICD O=C(COC(=O)CCNC(=O)c1cccs1)Nc1ccc(N=Nc2ccccc2)cc1 917261256 TXWGPLHTCZCCST-UHFFFAOYSA-N 436.493 4.465 10 20 IICD COCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)sc2cccc(F)c12 917708904 MHBMYGXHVCPVGJ-UHFFFAOYSA-N 432.492 4.093 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OC 917902443 LXILSKQVQOFEQU-UHFFFAOYSA-N 425.557 4.010 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCO[C@H](C)c3ccccc3)cc2F)C[C@@H](C)O1 918197186 PHLYWRXKFQSSLS-HSALFYBXSA-N 443.563 4.406 10 20 IICD CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918211471 BVNPZWRKHYCGNG-QGZVFWFLSA-N 429.536 4.134 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 1116309930 ZCVCGOZNDIQJEA-GOTSBHOMSA-N 429.992 4.245 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccn(-c2ccccc2C(F)(F)F)n1 1320797693 KLWBODFUIXUKOL-UHFFFAOYSA-N 440.219 4.289 10 20 IICD CCOc1ccc(N2CCN(C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 1340945486 ONLROMGUSGTHIT-UHFFFAOYSA-N 440.931 4.070 10 20 IICD Cc1ccn(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513268 DHPYUHNFMQNBMM-VILGAWFOSA-N 444.579 4.307 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 14253360 IFZHZIGOGFJOOZ-UHFFFAOYSA-N 430.551 4.213 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccccc1 16405012 OBPNNLOPXWPFQG-UYRXBGFRSA-N 442.562 4.324 10 20 IICD COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(Cl)c3C)CC2)cc1 18169094 DECLNKRLGHSPKD-UHFFFAOYSA-N 433.021 4.156 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)s3)SC2=S)c1 22817552 JCEUSOPVSPKYRS-UKTHLTGXSA-N 445.012 4.058 10 20 IICD CN(C)c1ccc(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1F 303019252 TVHNLUVLRSCERV-UHFFFAOYSA-N 432.499 4.137 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCC(C)CC4)nc3)ccc21 484695326 MHYASIAEWFNWAG-UHFFFAOYSA-N 434.584 4.466 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1C 727250508 NHLVKYJGSJACIQ-UHFFFAOYSA-N 446.550 4.034 10 20 IICD CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 729424733 YCEGELTZLTVWSR-IBGZPJMESA-N 426.561 4.351 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](c3cccc(Cl)c3)N(C)C)cc2F)C[C@@H](C)O1 731870152 FEESTDBUSLAXOI-DMPWYTOCSA-N 433.955 4.012 10 20 IICD Cn1nc(-c2ccccc2)c(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c1Cl 734752895 LBVZRHAWHBFHEV-SDNWHVSQSA-N 432.867 4.093 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 735093774 MLXIRENRVWDDHX-SFHVURJKSA-N 432.515 4.212 10 20 IICD CC(C)(C)NC(=O)c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 735752936 LMEMBEDIVHKKMR-SFHVURJKSA-N 425.529 4.134 10 20 IICD COc1ccccc1[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 739003063 JNSUEGVEBIEBLY-KRWDZBQOSA-N 445.510 4.465 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)NC(=O)OC(C)(C)C)cc1 742751090 RKWNDIAZQMSXGS-OAQYLSRUSA-N 449.555 4.139 10 20 IICD Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 742799420 ADUNOMPKTNZVNE-GOSISDBHSA-N 426.467 4.181 10 20 IICD COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1N1CCOC1=O 743233064 QJZZMAJJFRUWEC-UHFFFAOYSA-N 437.452 4.185 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 748583964 KCYINGBVOYDHRU-YBEGLDIGSA-N 430.463 4.098 10 20 IICD Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c(Cl)c1 751936940 OFFBSNYQVCKVHK-CYBMUJFWSA-N 429.929 4.462 10 20 IICD CC[C@@H](CSc1ccccc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 752650301 OZTWOJMDAGTRNM-NRFANRHFSA-N 427.614 4.265 10 20 IICD Cc1c(Br)cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-] 753664091 XOAABQVLPGJVNJ-MRXNPFEDSA-N 449.301 4.193 10 20 IICD Cc1cc2nc(C)c(CCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(C)n2n1 754543239 UGKLWMJEWCDUSC-UHFFFAOYSA-N 438.487 4.001 10 20 IICD O=C(N[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)c1cc2ccccc2o1 755126692 KCSFEARJFJACIP-NRFANRHFSA-N 446.551 4.137 10 20 IICD CCN(CC)C(=O)COc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)cc1Cl 756805723 TYTQOZRUBNSEPG-CQSZACIVSA-N 434.920 4.253 10 20 IICD COc1cc(N2CCN(C(=O)c3sc4ccc(F)cc4c3C)CC2)cc(OC)c1OC 759220011 FGEVZXBHDBETMS-UHFFFAOYSA-N 444.528 4.337 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 759877713 ZCZXMWBMHJNLLY-LJUVRZIDSA-N 438.540 4.110 10 20 IICD C[C@@H]1CN(c2ccc(CNCC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 760658069 RVVZAOCRGTZMNH-QZTJIDSGSA-N 435.584 4.176 10 20 IICD CCOc1cccc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)n1 763109263 QJDAVRGBCLLJPD-HKWRFOASSA-N 439.606 4.346 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)c2C)c1 763274714 JDKLQNUDLXZGLG-UHFFFAOYSA-N 444.285 4.118 10 20 IICD CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1cccc(Br)c1O 765727915 RARMILRUURWWOI-UHFFFAOYSA-N 434.315 4.165 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2ccc3ccc(Br)cc3n2)SC1=S 771522372 ZXEXIMNGNGUSPX-NTEUORMPSA-N 437.340 4.063 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 773744835 DYIGHRODKAEVBM-CQSZACIVSA-N 442.562 4.251 10 20 IICD C[C@H](NC[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(N2CCOCC2)cc1 775255046 NPIZSQZKUSDBKK-REWPJTCUSA-N 429.564 4.343 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc2ccccc2[nH]1 775622215 ROLDOBZALWVCIE-GOSISDBHSA-N 430.531 4.274 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2nnc3n2CCCC3)cc1 775804000 FZJHOYXREDTDLP-UHFFFAOYSA-N 431.544 4.458 10 20 IICD CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 777667226 NUANYFUTDJANMB-UHFFFAOYSA-N 435.596 4.179 10 20 IICD CCSc1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccn1 777711011 WGEVKICNBYVYAV-UHFFFAOYSA-N 436.528 4.263 10 20 IICD Cc1cc(Br)cc([C@H](C)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1O 779023837 IYRQTFWGYLZZRI-ZBEGNZNMSA-N 442.737 4.272 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 779514485 MIXSBFQFJVPFNC-SOFGYWHQSA-N 429.879 4.219 10 20 IICD O=C(C(=O)N(Cc1ccccc1O)C1CCCCC1)N1C[C@@H]2CCCN2c2ccccc21 782895577 ANRXSWLMCTZTAY-NRFANRHFSA-N 433.552 4.069 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 801549081 DNQJJYBKAPXXSF-UHFFFAOYSA-N 449.477 4.227 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)COCc3ncc(C)o3)c2C)c1 803899156 VUVAOVRJVIDYIQ-UHFFFAOYSA-N 428.510 4.055 10 20 IICD CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ccccn1 804700914 ADYSOYVYHZSJOL-UTKZUKDTSA-N 442.991 4.245 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc2cc(Br)cnc12 806562275 GPQDUNQMXUFLSB-UHFFFAOYSA-N 441.329 4.156 10 20 IICD COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)cc1Br 806739968 KZLWVZMIVWKMRT-ZDUSSCGKSA-N 434.334 4.493 10 20 IICD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C 808097783 SIUIQAACDSGWEC-UHFFFAOYSA-N 426.922 4.245 10 20 IICD CN(Cc1ccccc1O)c1nnc(Cc2ccc3ccccc3c2)n1C[C@H]1CCOC1 812382814 SUEFMBIGLPJTDJ-HXUWFJFHSA-N 428.536 4.401 10 20 IICD CC(C)c1ccc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)c(C(C)C)c1 913078135 XACPAZIAXADTIY-UHFFFAOYSA-N 446.598 4.295 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(COc2ccccc2)cc1 916638180 DVHXSZVBGSOGGT-UHFFFAOYSA-N 445.563 4.444 10 20 IICD Cc1nc2cc(F)cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2nc1C 917712232 VZRKCHVXVYLYLD-ZIAGYGMSSA-N 440.494 4.068 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CC[C@H](C)C2 1317741967 UFCBZHGKRFSHJL-BBRMVZONSA-N 426.538 4.138 10 20 IICD CCOc1ccc2c(c1)CN(C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CC2 1318178574 UINAFPPGQJYDSK-UHFFFAOYSA-N 445.510 4.423 10 20 IICD CCCOc1c(Br)cc(Br)cc1/C=C1/SC(=S)NC1=O 103480559 QWNLQEMXPNYNLI-BJMVGYQFSA-N 437.178 4.489 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 206469655 CNHOMXFJOCVEQU-XMHGGMMESA-N 427.547 4.420 10 20 IICD C[C@H]1CN(C(=O)c2ccoc2CC(=O)N2C[C@@H](C)Oc3ccccc32)c2ccccc2O1 498152574 DHRQGUIOCABWHN-SJORKVTESA-N 432.476 4.064 10 20 IICD O=C(Nc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1)C1=S=CC=C1 671076459 PQXHVFVROAGJGP-UHFFFAOYSA-N 428.517 4.218 10 20 IICD Cc1cc(C)n(-c2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)n1 726566544 SKWWQZOCTNYVDM-UHFFFAOYSA-N 440.494 4.489 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1F 726629468 NZQRAXYXNDBWPL-UNOMPAQXSA-N 430.526 4.077 10 20 IICD COC(=O)c1ccc(OC(C)C)c(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726699768 SYFAZWAIXGQJAW-UHFFFAOYSA-N 441.528 4.060 10 20 IICD O=C(NCCc1nc2ccccc2s1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726708144 JHCNCMWMTTXPOF-UHFFFAOYSA-N 446.523 4.408 10 20 IICD CCN(CC)CCN(Cc1cccs1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 726715114 IITRKQMOOUHDBT-UHFFFAOYSA-N 444.645 4.279 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)cc1 726728653 YALFBWPCPQRONC-UHFFFAOYSA-N 447.510 4.225 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCC(=O)Nc1cc(Br)ccc1C 731282488 RKXBUDPJUDIBDZ-UHFFFAOYSA-N 448.361 4.414 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CNCc3c(O)cccc3Cl)c2)cc1 734509721 PQKMUNFYFLLIOV-UHFFFAOYSA-N 432.929 4.145 10 20 IICD COc1ccc(N2CCC(NC(=O)NC3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 734864637 JMWNBYSIXVGKTQ-FQEVSTJZSA-N 436.600 4.189 10 20 IICD CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1 735444500 XZYMBGMILQQPTL-DCFDNNIBSA-N 434.446 4.473 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)c(C)n1-c1ccc(OC(F)F)cc1 740751005 SXYZACKWYHTJBS-LJQANCHMSA-N 449.372 4.125 10 20 IICD Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1NC(=O)NC(C)(C)C 740926575 PBLJBMXCPZAUAX-FQEVSTJZSA-N 439.556 4.442 10 20 IICD FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 742423539 OKQMTOLINZSEES-QGZVFWFLSA-N 436.466 4.474 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)cc1 743286021 ZJEAZLSIMXXFOP-ORTNRGLGSA-N 425.575 4.471 10 20 IICD O=C(NCc1ncc(-c2ccccc2)o1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743555453 YUUNNVODXPRHCL-QGZVFWFLSA-N 442.466 4.411 10 20 IICD COc1sc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1Br 746522894 QPHMQFICSMRJAO-MDWZMJQESA-N 441.397 4.358 10 20 IICD COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2Cl)cc1 748474575 CELYRPZECGLDDS-UHFFFAOYSA-N 442.924 4.460 10 20 IICD Cc1cccc(CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 750027872 SHBQYFLMYKAGHA-SFQUDFHCSA-N 431.608 4.092 10 20 IICD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 750670117 GBAGSJZPZIISEH-MUNRUJSPSA-N 431.602 4.137 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 765375644 JCVIBHNGVZOLTD-RJGXRXQPSA-N 429.605 4.181 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)c1 767986128 CQHBHQUCZIPGIX-INIZCTEOSA-N 442.491 4.397 10 20 IICD COc1cc(Br)cc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c1O 769480309 MSLVXGUJNHCIJP-UHFFFAOYSA-N 446.244 4.125 10 20 IICD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770383145 CCXIPQUOOUBYMN-HKUYNNGSSA-N 432.565 4.320 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](c3ccc(F)cc3)c3cnn(C)c3)cc2)CC1 773294940 XLCZFVUUWARCLB-DEOSSOPVSA-N 435.547 4.384 10 20 IICD C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccc(N(C)C)cc1 773992825 FTTSLKWCZUZMFF-CQSZACIVSA-N 426.517 4.020 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 777667786 RNXMYRXUPLSFIC-UHFFFAOYSA-N 433.511 4.106 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1nc(C)c(-c2ccccc2)o1 777826156 JAUKVVQRHUJWPE-UHFFFAOYSA-N 442.899 4.143 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(C(F)(F)F)nc3)c2C)cc1 778441830 BVJWYGWKWYHVFY-UHFFFAOYSA-N 447.413 4.341 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O 779010516 DBLUPUKRTGPZEM-UONOGXRCSA-N 441.391 4.125 10 20 IICD O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895871 GYALPZBQHRSBLJ-UHFFFAOYSA-N 446.507 4.275 10 20 IICD CCN(CC)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1 783487075 UHJKMNFBYYLCPM-SFHVURJKSA-N 431.540 4.243 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccccc3C(F)(F)F)cc2)CC1 786261357 BJDRDXHBMRMCFB-QGZVFWFLSA-N 447.501 4.184 10 20 IICD COc1c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)oc2ccccc12 788744730 ZYWVAPVJNSMHMZ-HOTGVXAUSA-N 441.503 4.194 10 20 IICD CSc1cccc(F)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 798398165 QZIKCIQIQFRJFW-UHFFFAOYSA-N 428.451 4.333 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(S(C)(=O)=O)c3)cc2Cl)C1 800514065 CURMIVZONRSMJF-HNNXBMFYSA-N 435.977 4.302 10 20 IICD CCCCCn1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC)c2ccccc2c1=O 812033891 ADDDTMTUKLBZJU-UHFFFAOYSA-N 446.555 4.207 10 20 IICD CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1O 812214302 MRXNOJLGBLSMOK-IBGZPJMESA-N 443.592 4.391 10 20 IICD O=C(c1nc(C2CC2)ncc1Br)N(Cc1ccco1)Cc1ccccc1O 813803352 FMVCZDMSNMOHIR-UHFFFAOYSA-N 428.286 4.258 10 20 IICD Cc1cc(CC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(Cl)cc1 817323731 IFTIGWKGUOMDIP-UHFFFAOYSA-N 439.943 4.304 10 20 IICD O=C(Nc1ccccc1OC(F)(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294806 YPNIVGHQKMUGQK-UHFFFAOYSA-N 434.370 4.051 10 20 IICD CCOc1ccc(C2(CNC(=O)NCc3ccc(N4CCCC4)cc3)CCOCC2)cc1 919923147 MNEKJDOIQJNYQY-UHFFFAOYSA-N 437.584 4.233 10 20 IICD Cc1cc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)ccn1 1116853162 DFBNTMWWMIQZBD-PTNGSMBKSA-N 428.564 4.336 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@H]2CCCC[C@@H]2C1 1321732970 PVPFRXMPRMTFKC-SJLPKXTDSA-N 425.495 4.264 10 20 IICD COCc1nc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)sc1C(=O)OC 1321737731 PTOFUYLLQYDANF-UHFFFAOYSA-N 433.917 4.389 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(N(C)C)cc2)c1 15134740 WQUSPSTWOGWPSP-UHFFFAOYSA-N 449.576 4.422 10 20 IICD CCC(CC)C(=O)N1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 726103994 QNCFWLDRNKSMHE-UHFFFAOYSA-N 427.545 4.124 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(C)n1C[C@H]1CCCO1 726197276 PDBZJLRYQQKTSV-CVNFFVDQSA-N 427.595 4.123 10 20 IICD CCOc1cc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)ccc1OC(F)F 726197308 QFBYBNDSMGTHRX-NVNXTCNLSA-N 425.482 4.309 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)c12 726561767 QPUDYSOHYFSOSL-UHFFFAOYSA-N 434.540 4.460 10 20 IICD CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCCSc2nccs2)cc1 733973768 WMVWUFKZJJOCBW-QGZVFWFLSA-N 449.667 4.254 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 742602416 RDHPUOCWELNXJP-GHTZIAJQSA-N 426.532 4.308 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3COCc3ccccc3)ccc21 747018184 VJBDFWXTUFLKPG-UHFFFAOYSA-N 443.547 4.041 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 747748743 SFBAODRLTDXODC-UHFFFAOYSA-N 441.453 4.434 10 20 IICD O=C(Nc1cccc(-c2cnco2)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748032878 IYYDQWUKEMWGNX-UHFFFAOYSA-N 441.490 4.162 10 20 IICD Cc1cc(C(=O)N2CCOCC2)ccc1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 748686707 YZHOSHUFMNSAQS-UHFFFAOYSA-N 431.536 4.152 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(NC(=O)c2ccoc2)c1 748995745 UYQUSBQJFPGMFQ-UHFFFAOYSA-N 448.523 4.062 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Br)c2O)cc1 757764705 YWBSIEGEPYCBPL-QGZVFWFLSA-N 433.346 4.042 10 20 IICD Cc1nc(COc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c2)no1 759862030 MSAUBKWHXSRUOE-UHFFFAOYSA-N 448.445 4.228 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc(OC)c1OC 760088641 XIVXPNBMYJHHEY-UHFFFAOYSA-N 449.551 4.035 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 761781394 XOCHVTDYKKIFRI-OAHLLOKOSA-N 437.471 4.353 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 764947116 OVECYMHXESMDRQ-UHFFFAOYSA-N 434.462 4.421 10 20 IICD COc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766237131 IQRKSAOAJPXPDM-SJORKVTESA-N 433.499 4.272 10 20 IICD COc1cc(CN(C)Cc2cc(Br)cc(OC)c2O)ccc1OC(F)F 768169600 WKORJVBWBREFBP-UHFFFAOYSA-N 432.261 4.405 10 20 IICD CC(=O)c1cc(CN2CC=C(c3cc(C)cc(C)c3)CC2)c(O)c(CN2CCOCC2)c1 769655842 VOJSJXXYURXEKC-UHFFFAOYSA-N 434.580 4.333 10 20 IICD Cc1csc(Sc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c(C)c2)n1 769747468 UIZVSLSKDYMHMY-UHFFFAOYSA-N 449.579 4.241 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2nc(C(F)F)[nH]c2c1 771053526 NPFSVMXTHSMCBE-OAHLLOKOSA-N 434.874 4.254 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3COc3cccc(C=O)c3)c2)CC1 771637665 SAQRXXQWVVQPRN-UHFFFAOYSA-N 443.547 4.472 10 20 IICD CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)/C=C/c1ccc(O)c(O)c1 774779732 WTRAWGCXWHBADD-KOEDOTQGSA-N 434.330 4.028 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1F 775191134 KMKZIALXXVDDIX-QFIPXVFZSA-N 439.918 4.067 10 20 IICD CCOC(=O)c1c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)nc2ccccc2c1C 775255410 OPQMBLKDUKUFHX-LJQANCHMSA-N 433.552 4.407 10 20 IICD CC[C@@H](NC[C@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Br)ccc1O 775511053 CTPZKWUYFWEADX-FOIQADDNSA-N 438.362 4.064 10 20 IICD Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1S(=O)(=O)NC(C)(C)C 775636059 OHJSSRAREDYGST-INIZCTEOSA-N 432.590 4.021 10 20 IICD CN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 775866247 CRSVRUSZQNMTTC-NRFANRHFSA-N 426.561 4.160 10 20 IICD COc1cc(O)c(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1OC 775985785 PYTIMOHDUGUFJO-UHFFFAOYSA-N 447.579 4.021 10 20 IICD Cc1cc(Br)ccc1NC(=O)CNCc1cc(Br)cc(C)c1O 776100177 AICPCRLESPCFRZ-UHFFFAOYSA-N 442.151 4.262 10 20 IICD Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Br 777127871 IFNRQKHFARIJNZ-UHFFFAOYSA-N 444.373 4.262 10 20 IICD Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(O)c(O)c3)[C@H]2c2cccs2)cc1 778929754 NGCILODWBFALEV-JPYJTQIMSA-N 436.533 4.268 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c(C)n1-c1ccc(F)cc1 779264535 DUAPOLQZXIIBFX-UHFFFAOYSA-N 439.462 4.097 10 20 IICD COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 780883412 RNCDDMNZEUYNKA-GJZGRUSLSA-N 442.512 4.079 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3ccc(Br)cc3OC)CC2)cc1 782261922 SJUQWQFGACXHOP-UHFFFAOYSA-N 447.373 4.184 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782610838 ATEZVXSFIUXXFJ-UHFFFAOYSA-N 438.940 4.095 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc2nc(C)sc2c1 785198449 YDLQTQPAAOZOEB-UHFFFAOYSA-N 448.342 4.060 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3-n3cncn3)SC2=S)cc1 794932530 ALEQOCFRXGZBNJ-GIJQJNRQSA-N 441.969 4.393 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc([C@H]4CCCO4)nn3C)cc2Cl)C1 800564407 AZRSCQFSJAXRAL-MGPUTAFESA-N 431.968 4.483 10 20 IICD CSCc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 804700950 AMQGGKJMKYTEJW-UHFFFAOYSA-N 448.591 4.048 10 20 IICD CCN(C)C(=O)c1cccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1 806775122 QPOLVJVKZIACEK-UHFFFAOYSA-N 434.334 4.301 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cccc(-c2noc(C(F)(F)F)n2)c1 807417428 XZHMAFHAMXLSMD-UHFFFAOYSA-N 442.191 4.154 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F 807513249 WERZLSGGHKAXEO-UHFFFAOYSA-N 433.238 4.019 10 20 IICD COc1cc(C(=O)CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC 807839607 PZWGGHDBNOWJPG-UHFFFAOYSA-N 442.295 4.004 10 20 IICD Cc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OCC2CC2)c1 807861358 BGLGZRHPEWWCPY-UHFFFAOYSA-N 449.595 4.049 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C(F)F)cc2)nc1-c1ccccc1 808528754 ODSYISNJOBIQJN-UHFFFAOYSA-N 438.477 4.264 10 20 IICD CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OCC 916566400 XHWPTHUPJSMVBJ-JOCHJYFZSA-N 426.557 4.371 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1 916600568 OJHUZRDWUMSPPM-UHFFFAOYSA-N 425.577 4.404 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 917387210 WPTJCFQPAPRGHW-NRFANRHFSA-N 445.588 4.062 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 917698188 SGWNJLDFCCNKJW-DEOSSOPVSA-N 427.504 4.481 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccccc1Br)c1ccc(N2CCOCC2)cc1 920921854 WHCXTDKACXIMAC-MRXNPFEDSA-N 432.362 4.188 10 20 IICD COc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1Br 1116632099 APQMCWNXQFBBTF-AWEZNQCLSA-N 434.334 4.177 10 20 IICD O=C(NCCCSc1nccs1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1319178723 YQLBDGCLOFQTHJ-GOSISDBHSA-N 427.599 4.247 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1O 1321519186 KFKWPXWPQIBUAP-DEOSSOPVSA-N 442.515 4.277 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCC=CO3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776726 OSBUEBKBFQOXIB-LJQANCHMSA-N 442.899 4.192 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294372 GBGPNSMAZYXCCF-GUYCJALGSA-N 444.919 4.137 10 20 IICD CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831389215 LMGOITYSTKPZPU-SFHVURJKSA-N 436.980 4.421 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cnoc2C2CC2)C3)cc1 1845398290 WRMMCZHZUDUOIY-UHFFFAOYSA-N 444.535 4.090 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC 195544499 HMXYKDPCRGMHCD-OAQYLSRUSA-N 443.975 4.068 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(COc4ccc(C)nc4)c3)CC2)cc1 303582296 RINBRVLGRAMIEV-UHFFFAOYSA-N 431.536 4.330 10 20 IICD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C4=S=CC=C4)o3)cc2)cc1 544000701 BMLQZUMYDZRNAN-UHFFFAOYSA-N 439.514 4.353 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3ccc(N4CCCCC4)cc3)CC2)cc1 726611356 OVIWLXMUJZQHFT-UHFFFAOYSA-N 436.600 4.196 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)ccc21 728520838 RBDSWUQQGHDDMJ-UHFFFAOYSA-N 449.551 4.251 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 729035610 LPVHFIUSFYTORK-KRWDZBQOSA-N 425.529 4.464 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(-c4ccccc4)cs3)cc2)CC1 731131769 LWSHUDLOBQTUFE-UHFFFAOYSA-N 434.565 4.301 10 20 IICD CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 731348658 WDAMIOBTHUGUNB-UHFFFAOYSA-N 445.629 4.104 10 20 IICD COC(=O)[C@H]1CC12CCN(C(=O)c1cc(C)n(-c3cccc(Br)c3)c1C)CC2 733789196 YNYQLYMWXGSHIX-LJQANCHMSA-N 445.357 4.272 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCS[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 735581881 KROWJAOJPVOYOD-PNCHPQGNSA-N 443.588 4.439 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)CC2)cc1 741085218 NCWNMRDFCUPNRR-IBGZPJMESA-N 438.355 4.004 10 20 IICD O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743119848 ZVHCVJOWIUJESI-GFCCVEGCSA-N 446.376 4.198 10 20 IICD CC(=O)N[C@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(F)cccc1F 743430739 LFQUNEGTDMCICG-HXUWFJFHSA-N 428.435 4.060 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cnn(-c2ccccc2)c1 743808321 URJLMTARYFQKQG-UHFFFAOYSA-N 428.330 4.322 10 20 IICD CCN(Cc1cc(Br)ccc1O)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 744426640 SHSLEJRPTJPYIQ-UHFFFAOYSA-N 445.313 4.242 10 20 IICD CCc1ccc([C@@H](COC)NC(=O)N(CC)Cc2cc(Br)ccc2O)o1 745851101 XOIMBWZURKKXSU-MRXNPFEDSA-N 425.323 4.229 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 746018351 DGUOOAVDUXUPOP-FYYLOGMGSA-N 449.517 4.153 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2cc(Br)ccc2O)cc1OC 747440027 IZTMLHJREVMMAP-IBGZPJMESA-N 447.329 4.120 10 20 IICD CCCNC(=O)[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1 747797931 IGDLFMPQSIYTIX-IBGZPJMESA-N 434.536 4.212 10 20 IICD CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(NC(=O)/C=C\c2cncc(F)c2)cc1F 747875998 AWUUVNBTNDYBIJ-MFDSWNTHSA-N 438.409 4.222 10 20 IICD O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)c1ccoc1 748995773 VMTVBXQMZGYPPU-OAQYLSRUSA-N 435.480 4.451 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(CN4CCC[C@H](C(N)=O)C4)cc3)c2C)c1 750582828 IIZOKVQTQITEBS-QFIPXVFZSA-N 444.579 4.352 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 750628808 HSUPHLLOCMKOLV-UHFFFAOYSA-N 442.535 4.238 10 20 IICD Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)C 751082024 OCXARKLHKYDIRI-OFNKIYASSA-N 436.600 4.283 10 20 IICD Cc1cccc(N2CCN(CCC(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)c1 752089146 RYEVKLYREVXKEN-UHFFFAOYSA-N 433.552 4.035 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C/c2cnccc2C)cc1 752101613 HVAWNYGAEYQCJC-JLHYYAGUSA-N 429.520 4.047 10 20 IICD CC(C)CC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCC1 755221016 VITKZHIEDOKFFD-UHFFFAOYSA-N 439.579 4.165 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4c(Cl)cccc4Cl)CC3)cc2)C1 759158005 XXBKNPVODSGLCW-INIZCTEOSA-N 446.378 4.043 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)nc2)NC(=O)OC(C)(C)C)cc1 759188023 SHGXIBHPKVHDSU-KRSRXSRCSA-N 444.963 4.196 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 761359548 LVJBLDAGRRIQSU-LJQANCHMSA-N 446.522 4.313 10 20 IICD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 762535855 HQKIPXNNBDWFJF-LJQANCHMSA-N 441.915 4.236 10 20 IICD CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCC(O)CC2)c(F)c1 768094846 CVGKPRQBISRZNV-QGZVFWFLSA-N 433.549 4.356 10 20 IICD CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 768611139 MLTNENHYKXODDB-SFHVURJKSA-N 442.562 4.232 10 20 IICD Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 771949868 DIZACNSUYTZKOO-KRWDZBQOSA-N 431.374 4.404 10 20 IICD CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 777272279 VCQPIIMFSNZNEO-CTNGQTDRSA-N 430.593 4.075 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1O 779002819 HRAUBBHPLMDMIV-OAHLLOKOSA-N 447.373 4.014 10 20 IICD O=[N+]([O-])c1cc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)ccc1N1CCCCC1 779615448 GQGOBIGTKQNQIF-JOCHJYFZSA-N 449.511 4.209 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1cccc(Cn2cncn2)c1 783280061 IMEKWQMJMDVRMC-UHFFFAOYSA-N 425.452 4.319 10 20 IICD O=C(NCc1coc(-c2cccs2)n1)C(=O)N(Cc1ccccc1O)C1CCCCC1 785687459 VVOLFIXPMXAEFU-UHFFFAOYSA-N 439.537 4.086 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1Oc1ccncc1 787471590 UFTFGXWHPXQNAT-UHFFFAOYSA-N 444.535 4.378 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 787874704 YKMBFABOUQAJST-JOCHJYFZSA-N 425.573 4.156 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1 789369770 LCHGEBKCTNZKRV-UHFFFAOYSA-N 437.544 4.167 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C(C)C)nc3)SC2=S)c1 790108929 YBEMUNNSAPUYAS-ZDLGFXPLSA-N 426.567 4.290 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)c(OC)c1 800626287 BWHAYQGGKDYWBZ-UHFFFAOYSA-N 426.513 4.018 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 801791467 CHDAJGTYYHZMGR-QFIPXVFZSA-N 425.529 4.144 10 20 IICD O=C(N[C@H](c1ccc(F)cc1)C1CCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804682597 LJGHAAPRKDTLIS-QHCPKHFHSA-N 436.483 4.311 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(N4CCCOC4=O)cc3)cc2F)CC1 815577803 ZOSJPOTXJRPWDX-IBGZPJMESA-N 440.563 4.165 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 857472604 MMMFTYMDTPQAEH-FQEVSTJZSA-N 427.976 4.349 10 20 IICD CC(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 906920758 AIMTUIFMGMMCMA-UHFFFAOYSA-N 436.512 4.478 10 20 IICD COc1ccc(SCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917712487 PENNMQKSNKWFBR-CALCHBBNSA-N 432.561 4.247 10 20 IICD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)c1 918051796 HCCCSBYKGKYXOY-NRFANRHFSA-N 434.584 4.496 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 918141027 QSIVBNIPSAGIJP-HDICACEKSA-N 438.543 4.207 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1 918250672 TZXRMEXFNWYJED-UHFFFAOYSA-N 429.442 4.410 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C[C@H](c2ccccc2)O1 920238801 XXLMJVLSJSCNFG-FLFXDLLNSA-N 441.547 4.111 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccncc2)C3)cc1 1800512891 HXDHTKGWLVKYHV-VILGAWFOSA-N 428.536 4.055 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@@H]1CC=CCC1 1814793186 XDVSYAOQBMRFHW-CXAGYDPISA-N 444.919 4.137 10 20 IICD COc1cc(Br)cc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c1O 15502630 CTPSXTSYGDLWAV-MRXNPFEDSA-N 434.315 4.244 10 20 IICD Cc1c(CNC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)n(C)c2ccccc12 471239441 RZWNJPKCMVTUJM-VWLOTQADSA-N 439.515 4.359 10 20 IICD C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 726613123 BWCGLIJFXDPXDK-IWMITWMQSA-N 444.373 4.202 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)CC2)cc1 726699467 OUDYVOYAMVMMKR-OALUTQOASA-N 438.572 4.099 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)n1C[C@@H]1CCCO1 727176844 QLQJHWWOQAQWLE-FUDBJYBQSA-N 435.659 4.073 10 20 IICD CC(C)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1 728484947 PYURHEFOZMAJNL-UHFFFAOYSA-N 446.434 4.217 10 20 IICD COc1ccccc1C(C)(C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 728746242 RQEYVQZNIRQILJ-IRXDYDNUSA-N 429.536 4.182 10 20 IICD CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731121285 PTGXWIIJHAXARX-UNMCSNQZSA-N 428.621 4.149 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](c3cccc(Cl)c3)N(C)C)cc2F)C[C@@H](C)O1 731870154 FEESTDBUSLAXOI-XCGNWRKASA-N 433.955 4.012 10 20 IICD C[C@H](NC(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 733847783 HWQVTVJEOYAOQG-NBGIEHNGSA-N 437.584 4.368 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 734006093 MHFKWFAEOIKUPB-OAQYLSRUSA-N 446.517 4.379 10 20 IICD COc1ccc(N(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)Cc2ccco2)cc1F 739926979 YOAJDPHKYXURFL-UHFFFAOYSA-N 445.454 4.469 10 20 IICD CC(C)=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 742601755 HXFLZXCJDHYYRR-RUZDIDTESA-N 449.595 4.156 10 20 IICD O=S(=O)(Nc1ccccc1SC[C@@H](O)c1ccccc1)c1cccc2nsnc12 747324163 LPZLQBMIZYCIRQ-QGZVFWFLSA-N 443.575 4.318 10 20 IICD CS(=O)(=O)CCc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 747372931 HCFBCVVLDOVWKX-UHFFFAOYSA-N 430.570 4.346 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 748848813 JPJOSRWDADOGQA-WOJGMQOQSA-N 430.507 4.404 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 750307953 OOWVZWIDCUPKJQ-UHFFFAOYSA-N 430.508 4.302 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(-c4cnn(C)c4)oc3C)c2C)cc1C 752600658 HIPJXVGOFIIJLJ-UHFFFAOYSA-N 446.507 4.448 10 20 IICD COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1 753919478 WYNSAJSLVKVWTF-UHFFFAOYSA-N 439.323 4.359 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCc2cc(Br)ccc2OC(F)F)c1 756685964 OYQSYXVBASOMQA-JTQLQIEISA-N 430.245 4.394 10 20 IICD C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cc(Br)cc(Br)c1O 756788530 VYIGXHISOMJJIB-JQWIXIFHSA-N 435.156 4.254 10 20 IICD Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc4c(s3)COc3ccccc3-4)cc2F)c1 757552774 YHLIRHCUHNZTNP-UHFFFAOYSA-N 442.497 4.137 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)c1 758414475 AMQWMFCTGUHJBC-WQRHYEAKSA-N 427.551 4.105 10 20 IICD CC(C)(C)c1cnc(SCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)s1 759719169 SADMGCYDLMOHOW-UHFFFAOYSA-N 445.654 4.273 10 20 IICD COCCN(Cc1ccc(C)o1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 760167855 YOCNDJNKBHJGGQ-UHFFFAOYSA-N 437.487 4.016 10 20 IICD Oc1ccccc1CN(C[C@@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 762176297 JHCHJFVBHFFVSV-KRWDZBQOSA-N 430.430 4.449 10 20 IICD CC(C)[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 764353641 ILNXVQGLTVAWOL-DEOSSOPVSA-N 425.548 4.252 10 20 IICD CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc(Br)c2O)c1 765243633 RGEXNSHGLVFWQR-UHFFFAOYSA-N 426.698 4.478 10 20 IICD CCOc1cccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 765279361 DQXITMVECMHPPA-IBGZPJMESA-N 435.547 4.192 10 20 IICD Fc1cc(CN[C@H](Cc2ccccc2)C2CC2)ccc1N1CCN(c2ncccn2)CC1 765281800 PISSMNPDYHRJMP-XMMPIXPASA-N 431.559 4.053 10 20 IICD C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2CCCCCC2)cc1 765808730 JSXGGBDMKUREGJ-FQEVSTJZSA-N 427.614 4.458 10 20 IICD Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccc(Br)cc1 768378425 WDWOQXDAYLWXNE-MOPGFXCFSA-N 435.387 4.203 10 20 IICD CCN(CC)c1ccc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1F 770575385 CWUDBVFQKZSQGC-UHFFFAOYSA-N 428.957 4.361 10 20 IICD C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl 773119195 HIDMICWPAJZNHQ-IIBYNOLFSA-N 431.939 4.162 10 20 IICD CSc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C 775142817 JJFINFFOSWJQEA-UHFFFAOYSA-N 449.523 4.042 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(C(C)=O)ccc2Cl)nc1-c1ccccc1 775207835 JVDDIOVANGPQPW-UHFFFAOYSA-N 449.941 4.425 10 20 IICD CC[C@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cc(Br)ccc1O 775565065 CPLYUIYTGCTCPJ-KDOFPFPSSA-N 426.376 4.366 10 20 IICD COC(=O)CCC1CCN(Cc2cc(Br)cc(Br)c2O)CC1 775695462 YPDYUGXKDHMLIT-UHFFFAOYSA-N 435.156 4.082 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccccc2OCCN2CCOCC2)c1O 779016689 CZGYCAAHOHCVNY-KRWDZBQOSA-N 449.389 4.025 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)N4CCOCC4)c(F)c3)c2C)c1 779265100 MBXXMXOQDQYZOX-UHFFFAOYSA-N 435.499 4.266 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O 782107487 WYJLXMDZZDIBHI-INIZCTEOSA-N 443.544 4.297 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 784024611 QOUKPISBYXAZMM-UHFFFAOYSA-N 436.483 4.488 10 20 IICD CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H](CC)CN1C(C)=O 785025373 DUUITQQFNXIXNS-FCHUYYIVSA-N 435.528 4.288 10 20 IICD CCOc1cccc(CNCc2cc(Cl)c(I)cc2OC)c1O 795578098 GDVFKDQTGKYXCZ-UHFFFAOYSA-N 447.700 4.347 10 20 IICD O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 797395687 ZGIGWZLIUGXTHH-GIVPXCGWSA-N 441.478 4.425 10 20 IICD C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(N2CCOCC2)cc1 797437980 YCEGEIXGTZPCMO-PAXLWEDBSA-N 444.373 4.202 10 20 IICD COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1NC(=O)OC(C)(C)C 797614916 HNLBUIKWFAOOTO-ZDUSSCGKSA-N 431.489 4.206 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H](OC)c2cnn(C)c2)sc(C)c1-c1ccc(C)cc1 798360204 RYMVHBFIFGFHET-LJQANCHMSA-N 427.526 4.268 10 20 IICD Cc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1I 798476424 GFAIUZKLHFUPGP-UHFFFAOYSA-N 437.325 4.007 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 800902922 GFKNYPUQLPMISI-KRWDZBQOSA-N 444.457 4.320 10 20 IICD COc1ccccc1C(C)(C)CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 803703920 QESSGADJKMACAI-UHFFFAOYSA-N 438.568 4.156 10 20 IICD C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 804975530 OOAZRRXGOOQVJO-KRWDZBQOSA-N 435.490 4.315 10 20 IICD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)[C@H]2C1 808300536 PWEGHNFFBUKLFA-SYNNKVJXSA-N 447.023 4.023 10 20 IICD OC1CCN(c2ccc(CN[C@H]3CCc4cccc(Br)c4C3)cc2F)CC1 815120028 MLDVVMWWVPOZPH-KRWDZBQOSA-N 433.365 4.196 10 20 IICD COc1ccc(N2CCCN(CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1 917207830 LKVMRAURQILIQF-UHFFFAOYSA-N 436.581 4.278 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3occc3CSc3ccccc3)cc2)C1 917832475 ASMXMHGFWGHUIL-LJQANCHMSA-N 449.576 4.204 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)s1 918742656 FATVNWYVVJXOAK-SNVBAGLBSA-N 427.598 4.239 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)n2c1CCCCC2 919765484 CPKYCIAITLNDIW-UHFFFAOYSA-N 430.552 4.043 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)c1 1116027870 FATLUXUJQFKTGP-HNNXBMFYSA-N 429.977 4.185 10 20 IICD CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)CC1 1321636597 ZTTHPZHNRZTUDR-UHFFFAOYSA-N 447.595 4.275 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCCO2)cc1 1344744290 MKAXCLYTPGDYKN-QHCPKHFHSA-N 434.588 4.392 10 20 IICD COc1ccc(OC)c(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 6287177 NSEGHMAYQFRASH-HXUWFJFHSA-N 429.586 4.148 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 109567861 SKZJVWLCQGGFHT-VQTJNVASSA-N 431.399 4.422 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nc3ccccc3s2)o1 117630214 YHOVYQNKPKHGAK-UHFFFAOYSA-N 437.496 4.462 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nc([C@@H](C)OCC(C)C)no3)ccc21 465203612 DQIZMNLIECLBCW-GOSISDBHSA-N 442.560 4.293 10 20 IICD O=C(Nc1ccc(-c2nc(Cc3ccccc3OC(F)F)no2)cc1)C1=S=CC=C1 544972664 NXFJUHOVGYYEJV-UHFFFAOYSA-N 427.432 4.145 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 726695629 RRSZRDKPBPLPDP-QHCPKHFHSA-N 425.529 4.044 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)n2)s1 727245805 NYONNUGIRKIFRC-UHFFFAOYSA-N 426.516 4.161 10 20 IICD COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 727802650 WXMUTDJPWLWOSO-UXHICEINSA-N 448.394 4.044 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(OC)c(OC)cc2Br)c1 729034713 NUGNTUKDXMVRPP-SNVBAGLBSA-N 425.279 4.063 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1 731682410 QEQJBQBYIWNUIS-UHFFFAOYSA-N 427.936 4.278 10 20 IICD CC(C)C[C@H](C)Oc1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1 732249227 PHNLDAGVVAAWIZ-FQEVSTJZSA-N 440.588 4.073 10 20 IICD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 732588097 XVRJMFWDIPPPCU-UHFFFAOYSA-N 442.535 4.277 10 20 IICD O=C(NCC1(N2CCSCC2)CCCCC1)N(Cc1ccco1)Cc1ccccc1O 732705028 NLPSBALEKQUEHK-UHFFFAOYSA-N 443.613 4.449 10 20 IICD COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 735067064 RNAWLSAAAKVQGL-SSEXGKCCSA-N 428.529 4.381 10 20 IICD CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 741665945 SFBJKQLVJQUAOR-QHCPKHFHSA-N 429.511 4.181 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)sc2C)cc1 743045579 PILGTHQFPAPEFK-UHFFFAOYSA-N 444.513 4.253 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1 743046768 QTFWMXBZYSSADE-UHFFFAOYSA-N 426.903 4.261 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCC2CCN(C3CCN(C)CC3)CC2)cc1 751046894 AUMSCQILXFGMJS-UHFFFAOYSA-N 436.644 4.362 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1 753419154 JWLCOIQFIRIILL-FQEVSTJZSA-N 427.451 4.469 10 20 IICD COCCc1noc(-c2cc(Cl)ccc2NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 753557549 PNFHAOQGHQNWOD-LBPRGKRZSA-N 446.891 4.176 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1cccc(Cl)c1Br 755108581 WJAHQYWWLWIRSQ-UHFFFAOYSA-N 427.798 4.020 10 20 IICD C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(Cl)c(Cl)c1O 756733295 ODJCPWFKAUBTJL-HNNXBMFYSA-N 436.383 4.375 10 20 IICD COc1ccc(-c2ccccc2)cc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 756891482 GNTWGXGAWMBNIP-QHCPKHFHSA-N 429.564 4.354 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)cc1 758415735 KSEJGUPUZHAFJG-AQTBWJFISA-N 439.562 4.264 10 20 IICD Cc1cc(CC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1-c1ccc(Cl)cc1 760001918 VYKZERTWGGJCOV-NRFANRHFSA-N 449.982 4.455 10 20 IICD Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c(C)n1-c1cccc(Br)c1 760902279 QGELJQAYRSEPLU-UHFFFAOYSA-N 445.279 4.386 10 20 IICD COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC(C)C 761059498 AYVWHKMJCOUCQG-UHFFFAOYSA-N 439.556 4.070 10 20 IICD COc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(I)c1 765414962 RHDAJNVSKYXGFR-LBPRGKRZSA-N 439.297 4.249 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(SCC(F)F)cc1 765978870 QQMQUGOTWCHLRK-MRXNPFEDSA-N 440.581 4.129 10 20 IICD Cc1ccc(SC[C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 770536506 FYRUWOSJWBWJNS-LJQANCHMSA-N 427.614 4.184 10 20 IICD Cc1cc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c(C)n1-c1cccc(Cl)c1 773238004 MGCFQEIUFUUVHM-UHFFFAOYSA-N 449.946 4.172 10 20 IICD COc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccc2)cc1 775409847 HFRGFUYPVZFVCP-KOSHJBKYSA-N 431.536 4.110 10 20 IICD COC(=O)c1ccc(-c2ccc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)o2)cc1 775951142 BJVCUQHSQOARDT-UHFFFAOYSA-N 438.499 4.123 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 777827377 AEUHRSQMQRUTHL-UHFFFAOYSA-N 442.899 4.143 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 778631319 VUYJIFAZZDAXPQ-HOIFWPIMSA-N 431.964 4.313 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 780957336 SOBOPHJJUNRYRQ-DEOSSOPVSA-N 432.520 4.181 10 20 IICD Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c(O)c1O 785843805 LDZGSWIAOCUUFI-HNNXBMFYSA-N 444.285 4.196 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)s1 788644417 SRWVRWQRFKRKEB-LBPRGKRZSA-N 436.521 4.354 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 802609854 LEUZWBNWDQAMNB-UHFFFAOYSA-N 433.508 4.134 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 802609913 ODKABPJVHLVWOD-UHFFFAOYSA-N 435.402 4.320 10 20 IICD COc1cc(Br)cc(CN(CCc2ccccn2)Cc2ccncc2)c1O 809762928 FBSSMNRCAJWLQG-UHFFFAOYSA-N 428.330 4.198 10 20 IICD CCOCCCn1c(CC2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812197765 KSPSMESCMMICOS-UHFFFAOYSA-N 441.620 4.163 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)c1 917924917 CXUITOCDTMURNG-UHFFFAOYSA-N 433.511 4.453 10 20 IICD COc1ccc(C2(CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CCOCC2)cc1 919925416 WORRLEKDETVTEF-UHFFFAOYSA-N 437.584 4.184 10 20 IICD O=C1/C(=C\c2ccc(OC(F)F)cc2OC(F)F)SC(=S)N1Cc1ccon1 1116290396 GUPZLGONVPULRB-LFYBBSHMSA-N 434.392 4.279 10 20 IICD CCS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 1321939106 FVSFNRARONIBCM-UHFFFAOYSA-N 441.553 4.374 10 20 IICD O=C(NCc1ccc(-n2cnc3ccccc32)nc1)NCc1cc(Cl)cc(Cl)c1O 1346404812 RJGSCJLSLXPFRX-UHFFFAOYSA-N 442.306 4.432 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3CC3(F)F)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789136780 MNXXHIOSYAXBKS-AWEZNQCLSA-N 436.842 4.154 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)o3)C2)cc1 1843607831 AVKWKGRLGANUOW-UHFFFAOYSA-N 437.927 4.471 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]c(C(F)F)nc4c3)cc2F)C[C@@H](C)O1 110743676 FNZLFFVSFXCFLT-CHWSQXEVSA-N 432.446 4.183 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 541064818 FZFPUCVTAXBIOT-UHFFFAOYSA-N 429.370 4.386 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@H](c2cccc(F)c2)C1 727604503 NNQUHVPQKJZXGK-NRFANRHFSA-N 449.473 4.179 10 20 IICD CC[C@H](C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 727837849 XQPVPAPOVCNFDS-AOMKIAJQSA-N 426.517 4.044 10 20 IICD CN(C)c1ccc(CN(Cn2nnn(Cc3cccs3)c2=S)CC(F)(F)F)cc1 728904709 RFESYYRDBPLYDB-UHFFFAOYSA-N 442.536 4.007 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c1 728979340 UPFNFRVXSDJKKT-ZDUSSCGKSA-N 427.419 4.161 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 729061971 MSSFFIOGPYPCED-ZDUSSCGKSA-N 441.871 4.057 10 20 IICD CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(NC(=O)/C=C\c2cncc(F)c2)c1 729653397 RGSCPSHSVOYSNC-MKKAVFGOSA-N 434.446 4.473 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCCCCC2)cc1F 731409525 VERSKHGAESWRPC-UHFFFAOYSA-N 440.563 4.307 10 20 IICD Cc1cc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c(C)n1-c1cccc(Br)c1 734233788 XAXDYNORZIBPLE-UHFFFAOYSA-N 441.329 4.206 10 20 IICD Cc1cccnc1[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C 734525487 IDMBOOZFKBGPOY-NPPFBWRTSA-N 428.552 4.339 10 20 IICD O=C(Cc1csc(Cc2ccc(F)cc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517000 DSZRLVAFRUYVOI-NRFANRHFSA-N 440.540 4.329 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 735870458 YPWMCUMKEBZOJF-HXUWFJFHSA-N 426.517 4.137 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 741059342 QTECSNSFWKTWKU-UHFFFAOYSA-N 425.554 4.101 10 20 IICD COC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)n2)cc1 741857369 ZUIHSISIONSQGS-UHFFFAOYSA-N 441.451 4.181 10 20 IICD Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742248227 CUBBSTOZDAWYGU-UHFFFAOYSA-N 449.599 4.309 10 20 IICD O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743116971 PEVJIKKZRXMJCI-MRXNPFEDSA-N 446.454 4.035 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)CSc3ncc(-c4ccccc4)n3C)cc2)C[C@@H](C)O1 747365549 SPPORMRZJVATQE-HDICACEKSA-N 436.581 4.432 10 20 IICD COc1ccccc1COC[C@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 749167050 QWPYZXINXGCTGB-HXUWFJFHSA-N 441.549 4.112 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCN(c4ccccc4OC)C3)c2C)cc1 749865834 ZPKRJXNMMRSYND-HXUWFJFHSA-N 433.552 4.368 10 20 IICD O=C(Cc1ccc(F)c(Br)c1)Nc1c(-c2ccccn2)nc2ccccn12 751300327 VZWYUJLCILDBIM-UHFFFAOYSA-N 425.261 4.479 10 20 IICD Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(Br)n1 755786668 BLFFKHVNNSOJLZ-GOSISDBHSA-N 432.362 4.040 10 20 IICD CCOc1cc(Br)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 764242767 LSPWTCVUXUTKPD-UHFFFAOYSA-N 434.334 4.006 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1 764762556 HWYQQXCRADLPJB-ZDUSSCGKSA-N 434.334 4.139 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(OCc2ccccc2F)CC1 768702574 URBXDFMWFHQVPQ-UHFFFAOYSA-N 443.588 4.270 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)cc1 768886235 BRRUCPMNQRKTTR-ACCUITESSA-N 428.963 4.294 10 20 IICD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 773856803 LLUJHOFZIIGQNB-GOSISDBHSA-N 433.556 4.232 10 20 IICD COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 774911334 YUFMOLQPPZNVSJ-QFIPXVFZSA-N 438.480 4.053 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(F)ccc2Cl)nc1-c1ccccc1 775207089 GMYRBMMCKBHMBZ-UHFFFAOYSA-N 425.894 4.362 10 20 IICD COc1cc(N2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)cc(OC)c1OC 777784631 LXVXAFVNILBLKN-UHFFFAOYSA-N 444.547 4.303 10 20 IICD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 779475441 NAONSBLFWKOXPS-RMZPIOGSSA-N 431.488 4.303 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)cc2)CC1 780425937 AZPYBLAMDMYASF-RXVVDRJESA-N 427.511 4.206 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 782796059 VXYAHANSFRTOMK-UHFFFAOYSA-N 429.528 4.324 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccc(Br)s3)C3CC3)cc2)C1 784040495 GBOXDEMLWHVOKX-OXJNMPFZSA-N 448.430 4.453 10 20 IICD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 784108655 IYAVBTKGSYNCEC-SXGWCWSVSA-N 435.524 4.007 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c(OC)c1 785544615 ZEBKYBWPAOUKBR-UHFFFAOYSA-N 444.943 4.121 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C(F)(F)F 790911231 FHCKAWJDPHCSMC-UHFFFAOYSA-N 448.397 4.180 10 20 IICD COc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S 792562320 LCRDFKGZDGQEJX-IDUWFGFVSA-N 446.916 4.474 10 20 IICD COc1ccc([C@@H]2C[C@H]2NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 792968605 VXDCWJNQSXLWDC-LEWJYISDSA-N 431.483 4.121 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)c1cccc(C(F)(F)F)c1 796744017 KUUUEAMOLAJUID-CRAIPNDOSA-N 444.400 4.125 10 20 IICD Cc1cc(Br)cc([C@H](C)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1O 800498431 JYFHIGHSPZBJGW-ZDUSSCGKSA-N 432.318 4.391 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CCSC)c1nnc2ccccn12 801969440 KGBKYFQZEFYRLT-SFHVURJKSA-N 427.574 4.241 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 804936333 NWHVNMLMXBXXMH-UHFFFAOYSA-N 444.309 4.441 10 20 IICD COc1cc(Cl)ccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 805171391 LSUBKTGXLMYSPL-UHFFFAOYSA-N 430.932 4.032 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](CC)c2cc(Cl)cc(Cl)c2O)cc1OC 806131711 MFPWHHNKXKQEPZ-KRWDZBQOSA-N 441.355 4.463 10 20 IICD CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)cc(Cl)c1O 806132352 VMVNZCSAPCADDL-FQEVSTJZSA-N 436.383 4.328 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 916502467 GDNGIUIFIURMLX-UHFFFAOYSA-N 427.504 4.263 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cn4cccn4)c3)cc2F)C[C@@H](C)O1 916677924 VOPJJHLVMUNOHV-QZTJIDSGSA-N 437.519 4.006 10 20 IICD Cc1cccc2sc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(Cl)c12 917834855 RPPIUKRJEUVODM-INIZCTEOSA-N 441.984 4.495 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)cc1 917846471 QQKFUOYHQXHJAP-UHFFFAOYSA-N 431.514 4.197 10 20 IICD CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)c1ccc(F)cc1 918197757 LGLLFYGCCRNBAB-FQEVSTJZSA-N 442.579 4.139 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(N4CCCC4)c3)cc2F)C[C@@H](C)O1 919778920 ODKGHHGEPDOODL-QZTJIDSGSA-N 426.536 4.361 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 921124449 LFWQSEIKTXKTDX-UHFFFAOYSA-N 448.361 4.018 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccoc3COc3ccc(C=O)cc3)CC2)cc1 1319625602 KPKQICOPWRYJCV-UHFFFAOYSA-N 434.492 4.032 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)ccc2N1 1338377390 ARNRWUPJLXCKSN-UHFFFAOYSA-N 441.490 4.349 10 20 IICD Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1792738440 VKAQOGDDTAGTOQ-MUJYYYPQSA-N 449.334 4.279 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)cn2)C3)cc1 1845398810 GQYYYUAMBUUOMW-UHFFFAOYSA-N 448.954 4.273 10 20 IICD Cc1cc(C(=O)COC(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccccc1 23595343 INMFMJIDBJOURG-UHFFFAOYSA-N 437.477 4.255 10 20 IICD COCCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccncc1 28614781 FAUNMZRIMUDNPO-UHFFFAOYSA-N 447.564 4.369 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc3nccs3)ccc21 566905223 GCYRAFZPTTVUBW-IBGZPJMESA-N 442.585 4.144 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2cccc(Br)c2)c1 730212947 IWBVHOPOOSECTA-UHFFFAOYSA-N 425.330 4.165 10 20 IICD Cc1ccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731017044 SKMPZGYCMUXYMY-UHFFFAOYSA-N 449.624 4.485 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1F 731364303 KEKAIICLHUSVNK-OAHLLOKOSA-N 433.524 4.258 10 20 IICD Oc1ccccc1CN(Cc1nnnn1-c1ccccc1Br)C1CCCC1 732204872 VIJVKUYSNAJRBQ-UHFFFAOYSA-N 428.334 4.075 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 734016986 UKNLQWVOWVRKFL-UHFFFAOYSA-N 432.270 4.265 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1 735010315 JCXPCGROJASMPB-UHFFFAOYSA-N 442.563 4.339 10 20 IICD COc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 735517942 OWJXAXUVTMBQQF-IBGZPJMESA-N 437.492 4.394 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)CC2)cc1 739002072 CVDFXZVYEHVWSJ-IBGZPJMESA-N 439.531 4.108 10 20 IICD CC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 741800473 MRUVRJDKPCKMLX-SXWKCWPCSA-N 441.591 4.009 10 20 IICD C[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753620 KPZYTZWMDASYHP-UIFIKXQLSA-N 433.593 4.030 10 20 IICD O=C(COCc1nc2ccccc2s1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799952 OIZPJHZLNPQPKE-HNNXBMFYSA-N 447.507 4.200 10 20 IICD O=C(Cc1cccc(Br)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800851 VAFMNPLMOWKEJV-MRXNPFEDSA-N 439.300 4.378 10 20 IICD CC(C)(C)c1nsc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 743143680 PIHKTIXRMQDNBZ-LBPRGKRZSA-N 425.505 4.228 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)ccc1C 745994408 CMSHGTDQHSPLGK-UHFFFAOYSA-N 428.944 4.421 10 20 IICD COc1c([N+](=O)[O-])cc(NCc2ccc(N(C)C)c(F)c2)c([N+](=O)[O-])c1Br 746720865 DIYDWWWCJWYUDW-UHFFFAOYSA-N 443.229 4.091 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(Cl)cc1Cl 747858194 QDMJKTMQFVAWGD-UHFFFAOYSA-N 433.294 4.297 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)n2)c1 748612046 FRWCFXQWCYFHIO-UHFFFAOYSA-N 449.510 4.153 10 20 IICD O=C(c1cc(F)c(F)cc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 750537127 CKROVNUCAFUMMV-ZDUSSCGKSA-N 426.257 4.254 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c2c1 752064325 AUMVGVYUTCNOFK-UHFFFAOYSA-N 435.499 4.231 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754543986 WEXIIFVSYRLVDO-UHFFFAOYSA-N 435.483 4.446 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1-c1ccccn1 754880091 CBQXHWPMTODTII-HDICACEKSA-N 449.526 4.440 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)sc1Br 755982568 BSIOUVWEVMKJFH-UHFFFAOYSA-N 434.333 4.147 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)[C@@H](C)NC(=O)OC(C)(C)C 756693886 SIZQUUNDKSLRAA-LSDHHAIUSA-N 431.499 4.193 10 20 IICD CN(C(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)c1ccccc1 757151222 YWSTZEUOIBWDDS-XMMPIXPASA-N 444.531 4.490 10 20 IICD Cc1ccc2c(c1)[C@@H](NC(=O)CCCN1C(=O)/C(=C\c3cccs3)SC1=S)CO2 763755570 OXWWEYUHITVCLE-GYKGCMEESA-N 444.603 4.288 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3sccc3Br)SC2=S)cc1 764886346 QDHLPIASSGHMFL-GHXNOFRVSA-N 425.354 4.015 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccccn1 765534676 NNRCRQIMHFLPOD-IBGZPJMESA-N 442.313 4.147 10 20 IICD O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1cccc(Br)c1O 769476806 ZZFXMDAYPBDNRM-GOSISDBHSA-N 431.330 4.083 10 20 IICD COc1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)ccc1OCc1ccncc1 771824064 IRKQGCZUHCMEDE-NRFANRHFSA-N 446.595 4.272 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1 778913463 CPAFHLPYKDIIEK-JTQLQIEISA-N 435.249 4.448 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2cc(Br)cc(C)c2O)cc1 779052162 NMADOSFXZYVTDO-LSDHHAIUSA-N 426.376 4.285 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 784114017 VVDKNNGFGUJEHK-UHFFFAOYSA-N 448.567 4.103 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1 789756233 DBEPHSMXLIAGBF-UHFFFAOYSA-N 431.536 4.406 10 20 IICD CCCOc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 792880710 CJVQGHLBMLKIDI-UHFFFAOYSA-N 429.536 4.186 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)c1cccc(C(F)(F)F)c1 796744027 KUUUEAMOLAJUID-YJBOKZPZSA-N 444.400 4.125 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)CCC)c1C 802609405 AAQWRLNJFOTSEU-UHFFFAOYSA-N 425.529 4.207 10 20 IICD CC(=O)c1cc(Br)ccc1OCC(=O)NCc1cc(Cl)cc(Cl)c1O 807835594 IQQLPAKXHWRAAS-UHFFFAOYSA-N 447.112 4.359 10 20 IICD CC(=O)NCC[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1 808218710 PTONRQFNKULZQK-LJQANCHMSA-N 434.536 4.212 10 20 IICD CC[C@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C(F)(F)F)cc1O 810210790 DSGWEAWEODWMGQ-SFHVURJKSA-N 430.492 4.339 10 20 IICD COCC1(c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)CCCCC1 810327250 FVZBZRJRNGDCSC-UHFFFAOYSA-N 449.554 4.153 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCCn2c(C)cc(=O)cc2C)c1C 811356053 XGEGKHLPYQQRNM-UHFFFAOYSA-N 434.536 4.387 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 814317256 DYRUYUVVUSCTLP-BEFAXECRSA-N 443.473 4.152 10 20 IICD CCN1CCC(N2CCC(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)CC1 816907732 FCLIIGNZONGHSF-UHFFFAOYSA-N 440.676 4.268 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCOc1ccc(Cl)c(Cl)c1 914963324 WQFMRTYWLMCLQE-UHFFFAOYSA-N 439.339 4.030 10 20 IICD CNC(=O)c1ccc(CN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C2CC2)cc1 916221157 RJQKTOVUBNGCHR-UHFFFAOYSA-N 444.579 4.370 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917710590 KJOPXNZGBAKVBK-HZPDHXFCSA-N 439.535 4.003 10 20 IICD O=C(NCc1ccc(OCc2ccccc2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918205537 NMBBUYHCGSBFRG-UHFFFAOYSA-N 449.526 4.241 10 20 IICD CCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 918573132 GLURXOXBAIOPBZ-UHFFFAOYSA-N 445.629 4.152 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 920189163 GCLOWIASTQWVMC-UHFFFAOYSA-N 429.948 4.325 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 1116592299 UAIBVNRIFXILKR-UHFFFAOYSA-N 443.956 4.322 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)C1CCCCC1 1816708705 HULXTQGMUXKOGI-KRWDZBQOSA-N 446.935 4.361 10 20 IICD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCCC1 1821290707 AIEAZIGGMQJMGZ-INIZCTEOSA-N 446.935 4.361 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)c1 15447806 VWRZGEDFPKGCHV-UHFFFAOYSA-N 446.576 4.367 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1ccc(Br)cc1 111076155 PCORTZAEUCKRAX-INIZCTEOSA-N 433.346 4.082 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3nnc(C4CCC4)n3c2)C1 436019456 VWJFMBDTIILUCW-UHFFFAOYSA-N 442.567 4.357 10 20 IICD Cc1ccc([C@H](CN2CCOCC2)NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 726086353 KJRYRHQUUXCPBS-DEOSSOPVSA-N 449.551 4.079 10 20 IICD Cc1cc(CC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)n1-c1ccc(Cl)cc1 726169954 TWULGRXIGOLIGM-LJQANCHMSA-N 429.992 4.301 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN(CC(F)(F)F)CC2)cc1)C1CCCCC1 726248511 XSEPTSOQDIXVQJ-UHFFFAOYSA-N 426.527 4.281 10 20 IICD COc1ccccc1-c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1 726564200 BJDJRYMPBCEMCA-UHFFFAOYSA-N 443.450 4.350 10 20 IICD O=C1/C(=C\c2cnn(-c3ccccc3)c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726802187 WCXIZBYEAYGAKT-FYJGNVAPSA-N 449.557 4.087 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 728985624 ZDHIFJUDFQXRMJ-CQSZACIVSA-N 440.569 4.116 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c(F)cc1F 732525513 MAKIVZSCSPQNSW-UHFFFAOYSA-N 438.477 4.293 10 20 IICD CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)cs1 732756640 NITWEQMESFRPTN-UHFFFAOYSA-N 430.574 4.088 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCO[C@H]3CCCc4ccccc43)CC2)cc1 733847168 KDDYOFUEWBZUEM-VWLOTQADSA-N 437.584 4.448 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C 734675810 OYJNDNMEIWDYSE-JOCHJYFZSA-N 430.543 4.399 10 20 IICD CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742798548 PJDVQFALNBLFLF-SJLPKXTDSA-N 432.467 4.043 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2ccccc2)nc1O 742802370 XMVKDOOFPCSSMK-KRWDZBQOSA-N 439.462 4.454 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(NC(C)=O)ccc1OC 743079398 PPOXHGZXFORVJZ-UHFFFAOYSA-N 436.306 4.176 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)SC2=S)c1 743283831 FZTYPYKGPGLSHM-FRKPEAEDSA-N 435.910 4.492 10 20 IICD CC(C)CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 745297669 CTKQAFJRJOSOEW-UHFFFAOYSA-N 425.598 4.083 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2cccc(F)c2)C1 745903464 GYTPUMHQFYIIPY-RXVVDRJESA-N 449.473 4.179 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H](C)c1ccc(C)o1 746952239 OYMIXIYBPKZLMN-FPOVZHCZSA-N 440.588 4.363 10 20 IICD CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCCCC2 748625414 LTFWITUZMUBUJB-AJSBUHFISA-N 429.605 4.354 10 20 IICD COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1 749007942 PNEUDHBXNDOLNV-UHFFFAOYSA-N 438.552 4.084 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 749730167 KBABMTDVQRNJSG-UHFFFAOYSA-N 445.541 4.098 10 20 IICD CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Cl)cc1 751301956 IDTULUOGPCCQMW-IBGZPJMESA-N 433.899 4.256 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)c2C)c1 752333572 OHULDLUTBJPHFQ-IBGZPJMESA-N 433.516 4.006 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncnc4oc(-c5ccccc5)cc34)cc2)C1 752637180 XTOKAZFZHUPHPP-LJQANCHMSA-N 427.508 4.204 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccc(F)cc1)C1CCOCC1 755590258 FJEXXHOBDAYQBO-UHFFFAOYSA-N 443.588 4.270 10 20 IICD C[C@@H](NCC1(c2ccc(Br)cc2)CCOCC1)c1cc([N+](=O)[O-])ccc1O 756526122 PVXHYXQKQHTWQA-CQSZACIVSA-N 435.318 4.462 10 20 IICD C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(Br)ccc1O 756546563 RYDRKFNBQQVEAB-GJZGRUSLSA-N 436.369 4.457 10 20 IICD C[C@H]1C[C@H](NCc2ccc(Br)cc2N2CCOCC2)c2c(O)ccc(F)c21 756759541 MLOSNHJALVAJKJ-GUYCJALGSA-N 435.337 4.469 10 20 IICD C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 759594220 PWZNVYALFAOFEZ-UFVHFEBBSA-N 446.431 4.083 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 759673927 GZVOIPGHGYQSGC-PMACEKPBSA-N 432.561 4.080 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](CN1CCCCC1)c1ccccc1 761028876 CEISHABWCQVTIS-HXUWFJFHSA-N 427.932 4.037 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(SC)ccc1[N+](=O)[O-] 761752141 QVJGPWOOFRXKLN-UHFFFAOYSA-N 425.304 4.447 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(COc2ccccc2)n(C)c1=S 764909919 MAMOLUNUPKANDQ-UHFFFAOYSA-N 425.602 4.464 10 20 IICD COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 765643884 KEEGXWJBGRLGSC-APWZRJJASA-N 433.955 4.254 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C)cc1 768849818 QCMICBJKVJNOEE-UHFFFAOYSA-N 425.513 4.288 10 20 IICD Cc1ccc(SC[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 770535159 CTLBANLXGVXDAL-QGZVFWFLSA-N 431.577 4.075 10 20 IICD O=S(=O)(Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1)C1CCCCC1 770577400 SUVAVPCUEUXSOZ-UHFFFAOYSA-N 428.598 4.383 10 20 IICD COc1ccc(N2CCC(NCCOc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 773014539 ILJSLYHLDSERSO-UHFFFAOYSA-N 429.870 4.400 10 20 IICD CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1O 775551028 GNHWXPZSTGQZJU-HNNXBMFYSA-N 433.313 4.122 10 20 IICD Cc1cccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2C)c1 779472979 CFPOUAWUSCXMFO-DHZHZOJOSA-N 438.505 4.167 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 779502638 VOKFVHHTXGMHNL-PTNGSMBKSA-N 446.503 4.225 10 20 IICD COc1cc(Br)cc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1O 780554402 BPYBJTPOHGULRN-HNNXBMFYSA-N 429.355 4.043 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F 783318169 VIRZBTQUGORMNJ-UHFFFAOYSA-N 439.890 4.383 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(N)cc1 783483247 PVIKURBJFBQFQV-KRWDZBQOSA-N 425.492 4.392 10 20 IICD O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 788896805 QWRUNEIUOBJELP-ZDUSSCGKSA-N 434.316 4.208 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cc(Cl)ccc4F)n3)ccc2N1 789726531 JFPKQNBOPFBVBB-UHFFFAOYSA-N 437.905 4.288 10 20 IICD COC1(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCC1 791316566 ZXOLUZUNOSFDMB-NTCAYCPXSA-N 425.597 4.232 10 20 IICD COCCCC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccccc1 792287566 RHQATSOQPOJMGU-JOCHJYFZSA-N 429.536 4.224 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c(F)c1 795612599 WXGBIDTYLJEVEF-UHFFFAOYSA-N 426.878 4.190 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4ccccn4)C3)cc2Cl)C1 799960920 UAWTVSIOOFECSH-IEBWSBKVSA-N 427.980 4.049 10 20 IICD C[C@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800505310 JYBBAVWMNPTIOL-YADARESESA-N 437.971 4.430 10 20 IICD COCCn1nc(C)c(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C 800555380 YQLJXLXCILJRSK-HNNXBMFYSA-N 433.984 4.358 10 20 IICD CC[C@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cccs1 802696720 QCDCRQZAUQCDCY-SFHVURJKSA-N 425.602 4.374 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 804975353 LMYCABULCVQTEP-NRFANRHFSA-N 449.473 4.372 10 20 IICD CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 807266770 FLNAFBSSFZHUOY-QFIPXVFZSA-N 429.511 4.181 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 807290282 SNPXVIIAELVBRX-UHFFFAOYSA-N 444.362 4.177 10 20 IICD CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]1c1cccnc1 813662516 YJPWYARZXWRFIH-YLJYHZDGSA-N 430.499 4.445 10 20 IICD COc1ccccc1Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 857440042 WAAFAYDNXBTOKK-UHFFFAOYSA-N 435.499 4.345 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)c1 915289982 DUJFJLVNIINZSO-UHFFFAOYSA-N 428.894 4.421 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1C(F)(F)F 916456898 YTNIGZKKTSMLQW-UHFFFAOYSA-N 432.364 4.491 10 20 IICD C[C@@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(N4CCSCC4)cc3)n2)C1 916670678 DJUWREKHXZLEFA-QGZVFWFLSA-N 445.658 4.250 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 917697878 SJFSIAHYCXHKBS-UHFFFAOYSA-N 447.988 4.367 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Oc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 917710223 BTSWJSQZNUBQJW-KSZLIROESA-N 426.532 4.012 10 20 IICD O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 918743537 YPAYOIUVNZWPPP-UHFFFAOYSA-N 428.447 4.134 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)c2C)cc1 22766384 GMWMQDXHJUGKMT-HSZRJFAPSA-N 432.499 4.495 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccc(Cl)cc2)[nH]c1=S 23855288 IAZGWGVPFPBAFS-UHFFFAOYSA-N 429.977 4.187 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(NC(C)=O)cc2)cc1 98079934 HOZLWDUMLSSCPE-UHFFFAOYSA-N 431.536 4.496 10 20 IICD O=C(NCc1ccc(Br)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 195740974 HRDFHPJDWPZKMI-INIZCTEOSA-N 437.309 4.185 10 20 IICD Cc1cc(-c2nc(-c3cncc(Br)c3)no2)ccc1NC(=O)C1=S=CC=C1 545613664 ZWGCSEJSUGQLGO-UHFFFAOYSA-N 441.310 4.086 10 20 IICD COc1ccc(CC[C@@H]2CCCCN2C(=O)NCc2ccc(N(C)C)cc2)cc1OC 725860987 YYQGIKDTCIDPEK-QFIPXVFZSA-N 425.573 4.467 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 727170017 CBZYOSWWUTYGED-UHFFFAOYSA-N 438.977 4.127 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Cl 729484628 MQUIYDWXCYAKFL-UHFFFAOYSA-N 441.956 4.103 10 20 IICD COc1ccc(C(C)(C)CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC 730066081 DGRXMFOVHJWYPY-UHFFFAOYSA-N 425.573 4.422 10 20 IICD CCCCn1c([C@@H](CC)N(C)C)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S 732417071 MJUVGDABWNCMHB-OAQYLSRUSA-N 446.665 4.015 10 20 IICD C[C@H](NC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 733658187 ROYLBUJJUWMVSE-UGKGYDQZSA-N 425.573 4.212 10 20 IICD CCc1nn(C)c2n[nH]c(NC(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)c12 734471026 MBEAKMPIIIUJHD-UHFFFAOYSA-N 441.333 4.281 10 20 IICD O=C(NCCCSc1nccs1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741221001 XSRWSKQSPVPOPE-UHFFFAOYSA-N 432.592 4.029 10 20 IICD CC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 741800475 MRUVRJDKPCKMLX-ZRCGQRJVSA-N 441.591 4.009 10 20 IICD Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1NC(=O)OC(C)(C)C 742499021 VSOAQGFYSOEUOG-UHFFFAOYSA-N 439.556 4.451 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 743873296 NIUWNJIAFRAFSV-AWEZNQCLSA-N 449.345 4.165 10 20 IICD O=C(Nc1ccc(F)c(Br)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 743887186 FEWWANHVIYFKRG-UHFFFAOYSA-N 447.260 4.054 10 20 IICD Cc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 744398206 MCAYYIRCKOTCPQ-CQSZACIVSA-N 433.533 4.167 10 20 IICD Cc1cc(C(=O)OCc2csc(CS(C)(=O)=O)n2)c(C)n1-c1ccc(Cl)cc1 744825823 MQUJBULAPZRLRD-UHFFFAOYSA-N 438.958 4.106 10 20 IICD O=C(CNc1ccc2c(cnn2C(F)F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 746665199 PGMLHHOXSAVAFL-UHFFFAOYSA-N 446.413 4.257 10 20 IICD O=C(NCc1nccn1CCc1ccccc1)N(Cc1ccco1)Cc1ccccc1O 751809521 GREKRSYPYOFPHT-UHFFFAOYSA-N 430.508 4.336 10 20 IICD Cc1sc(NC(=O)[C@@H]2CCCCS2(=O)=O)c(C(=O)OC(C)C)c1-c1ccccc1 753486744 JLNTXIMJNFCAIU-INIZCTEOSA-N 435.567 4.195 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc2c(c1)OC1(CCCC1)O2 756336780 PVECANHUGSSAFB-HXUWFJFHSA-N 438.524 4.053 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 756804913 ONPOXQJRLDENTI-KRWDZBQOSA-N 425.529 4.166 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 757285737 KXSGSWZWJUVWGC-XMMPIXPASA-N 448.611 4.052 10 20 IICD Cc1cc(C(=O)CN2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 760934401 ZAWTYXNYDYFURB-UHFFFAOYSA-N 443.396 4.093 10 20 IICD COc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1OCC(C)C 761220807 YMWMXULEZPFKAV-UHFFFAOYSA-N 444.572 4.078 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1 763780408 NBPCOWILZGRILY-UHFFFAOYSA-N 444.963 4.180 10 20 IICD CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1 764762554 HWYQQXCRADLPJB-CYBMUJFWSA-N 434.334 4.139 10 20 IICD C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1Cl 765529887 SSMMQHOUWWIMJC-DVECYGJZSA-N 442.003 4.061 10 20 IICD CC1CCN(c2ccc(CN[C@@H](C)c3cccc(N4CCCS4(=O)=O)c3)cc2)CC1 765872801 LQSOIVZOVZXAJT-FQEVSTJZSA-N 427.614 4.314 10 20 IICD Cc1cc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c(C)n1-c1ccccn1 767114403 NKXNWFIOHZHHDP-UHFFFAOYSA-N 441.491 4.154 10 20 IICD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 767887734 MPBSWTAVNMJBMU-UHFFFAOYSA-N 432.572 4.149 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H]1c1ccc(Cl)cc1 769914076 OIBMOQSSCUSXNN-KRWDZBQOSA-N 448.953 4.495 10 20 IICD CC[C@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 772598283 KCQYIOQDRWKWBQ-NRFANRHFSA-N 447.526 4.240 10 20 IICD COc1c(Br)cccc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O 773901893 WOUAPYZDZXVBDU-NTEUORMPSA-N 443.432 4.247 10 20 IICD COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 775375096 IVTKQTKWFNTKCR-NEPJUHHUSA-N 433.480 4.480 10 20 IICD COc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1Br 776025343 SPRZGVSTTCZQEK-UHFFFAOYSA-N 435.318 4.372 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21)c1ccc(N)cc1 783487725 YTKQOIFXQZISQG-CVDCTZTESA-N 440.547 4.379 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1O 793372582 WPBKKZGAXPFMQB-ZDUSSCGKSA-N 425.190 4.449 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(OCCC(N)=O)cc3)cc2Cl)C1 800538019 OOQSAUWXWFPBDV-INIZCTEOSA-N 444.963 4.152 10 20 IICD Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 804140678 SLPICVQEBSQHDA-UHFFFAOYSA-N 433.552 4.202 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(F)c(F)cc1Br 804189003 UNQROJDSYYKYIF-UHFFFAOYSA-N 445.647 4.051 10 20 IICD O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 804967389 QJHHAMQIVBUBEI-DEOSSOPVSA-N 448.611 4.100 10 20 IICD COc1cccc(-c2noc([C@H](C)NC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)c1 805162595 FNPZRUKLIRVKCJ-JTQLQIEISA-N 437.283 4.318 10 20 IICD CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807511028 CXIRNHNIHHKPLS-UHFFFAOYSA-N 431.703 4.396 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCN(c2ccccc2F)C1 810449520 HEGHAWCZQPROEO-IRXDYDNUSA-N 433.474 4.039 10 20 IICD CC(C)OCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 811914764 SCNSDHCNTBMCHH-HZPDHXFCSA-N 449.983 4.445 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(Br)sc2[nH]1 816825757 MLQSJYTXVIPFQQ-UHFFFAOYSA-N 434.359 4.101 10 20 IICD CC(=O)OCCN(C)c1ccc(/C=C2/N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1 912757773 UFHCPDPGONQKDI-CPNJWEJPSA-N 432.398 4.049 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)cc1 914839414 SZLHEXJXCSXZDK-UHFFFAOYSA-N 429.520 4.218 10 20 IICD O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456785 RLOYIAMQQFFMPR-UHFFFAOYSA-N 443.469 4.192 10 20 IICD CC1CCN(c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 916674032 KRLBRJJEJGJIDV-UHFFFAOYSA-N 426.536 4.220 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)n2)cc1 917845965 GVYJDLNDZRVJJS-UHFFFAOYSA-N 427.551 4.448 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 918266536 PDRSAFZTMWRFJF-UHFFFAOYSA-N 433.483 4.473 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC[C@H]2CCCO2)c1 919911246 JTIYEZDAQQQHGA-JOCHJYFZSA-N 439.556 4.053 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)n1-c1cccc(Cl)c1 920661556 CNYQLSWZGUJYGA-HNNXBMFYSA-N 439.899 4.030 10 20 IICD NC(=O)c1cnc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(Cl)c1 1254083183 NBHVUFVIBUXUJI-UHFFFAOYSA-N 437.843 4.045 10 20 IICD C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301467 XKMRHNHSZHBTDE-XCJMYRHZSA-N 434.492 4.083 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CCc2ccoc2)C3)cc1 1845399224 CVGFOIHHRGCGEA-UHFFFAOYSA-N 431.536 4.137 10 20 IICD Cc1noc([C@@H]2CCCN(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)C2)n1 728913700 FJRDUKZNJSJBBL-QGZVFWFLSA-N 444.482 4.449 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 728948923 KHMOZWRLTQDYNO-GJZGRUSLSA-N 448.361 4.050 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 729278632 RLCSXXKBTUAZOH-XIKOKIGWSA-N 437.323 4.190 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(N4CCOC4=O)cc3)cc2)CC1 731116347 NYSMNPYIRADAOA-LJQANCHMSA-N 436.556 4.440 10 20 IICD O=C(NCCCSc1nccs1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 733972163 ATZOBLUTAVOIKW-UHFFFAOYSA-N 429.489 4.201 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CNCc3ccc(OC)c(C)c3)c2)cc1 734509556 LOYFFUYIEHTWPE-UHFFFAOYSA-N 426.538 4.103 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2F)C[C@@H](C)O1 739522953 JXYLUFCWXQDJAK-GASCZTMLSA-N 429.923 4.433 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 740819544 VGNPXZFPRQJXAA-UHFFFAOYSA-N 445.947 4.454 10 20 IICD O=C(Nc1cnn(-c2ccccc2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743184215 UJVJELLGHFRJFZ-INIZCTEOSA-N 427.455 4.264 10 20 IICD CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N(CC)CC)c(F)c3)ccc2NC1=O 745933158 UFZSEDFUBSNMDU-BTYIYWSLSA-N 442.535 4.342 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 746805442 UKBHJRJPWGRAOE-UHFFFAOYSA-N 441.531 4.205 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 748583963 KCYINGBVOYDHRU-MHWRWJLKSA-N 430.463 4.098 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)cc2)CC1 750284455 CTBCDILXEHQACD-XMMPIXPASA-N 429.605 4.183 10 20 IICD O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2ccccc2)cc1 751239497 KISKJUAEPVCHJO-UHFFFAOYSA-N 436.577 4.041 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C2CCCCC2)no1 753000725 IQJGYHKYFWRFJG-LPHOPBHVSA-N 428.533 4.275 10 20 IICD COc1ccc(O)c(CNC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1 753189459 KEITYJIORJHMDE-UHFFFAOYSA-N 438.355 4.171 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2)cc1F 753741237 FBEIMNPWYGFYJS-UHFFFAOYSA-N 442.494 4.407 10 20 IICD O=C(NCCCSc1nccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 753945221 WSYWXADBDWAXMG-UHFFFAOYSA-N 446.520 4.302 10 20 IICD Cc1cc(C(=O)N2CC[C@H](c3nccn3C)C2)c(C)n1-c1ccc(Br)cc1 756137112 MYYDDGRNEXKLAD-INIZCTEOSA-N 427.346 4.220 10 20 IICD C[C@H](NC[C@@H](O)c1ccccc1F)c1cc(Br)cc(Br)c1O 756460309 PHPBNZOIMHYHOU-BJOHPYRUSA-N 433.115 4.441 10 20 IICD C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)cc(F)c1O 756475322 ODHOZDFLHKIVEJ-DJJJIMSYSA-N 441.316 4.157 10 20 IICD CCOc1ccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c(O)c1 763507182 ORIMJEHDSWYINL-UHFFFAOYSA-N 432.568 4.163 10 20 IICD CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 765757553 QFLDFBUQEYTCMT-MRXNPFEDSA-N 449.345 4.079 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 766486832 KGGIGSPBESABRB-UHFFFAOYSA-N 433.574 4.161 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)cc1)C1CCCCC1 766577398 YAAHRPZBVONLFX-UHFFFAOYSA-N 432.524 4.365 10 20 IICD C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773229303 OHLLFUMYOBRRCA-IAGOWNOFSA-N 445.405 4.402 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)c1 774257563 QKNGHLZSHAWWNL-KRWDZBQOSA-N 448.658 4.139 10 20 IICD Cc1cc(Br)cc([C@@H](C)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1O 779023831 IYRQTFWGYLZZRI-BDJLRTHQSA-N 442.737 4.272 10 20 IICD COc1ccc([C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C(C)C)cc1 785542212 DYNSCYZIBMBSEI-DEOSSOPVSA-N 437.584 4.061 10 20 IICD C[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc2ccccc2o1 786446460 ZGNOZOVWAUCCAQ-KURKYZTESA-N 439.531 4.153 10 20 IICD Cc1cc(C)c(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1CO 786796113 YHDMMCSPHKUWDY-MRXNPFEDSA-N 428.488 4.010 10 20 IICD C[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1ccc(N2CCOCC2)cc1 786826148 AWIZOTRWAUUHIF-AWEZNQCLSA-N 437.765 4.359 10 20 IICD COC[C@H](Cc1ccccc1)N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 788764674 DBZSLTHUISTNSG-NRFANRHFSA-N 447.526 4.156 10 20 IICD CC1(C)CC[C@@H]2C[C@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c3cccc1c32 788909234 FAOSWARVUGXTAR-XXBNENTESA-N 431.580 4.319 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1F 788938445 RTWSTKLVTWVDSQ-UHFFFAOYSA-N 445.538 4.271 10 20 IICD COC1(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CCOCC1 792730218 NUMJXCCAHBZIDS-UHFFFAOYSA-N 439.430 4.034 10 20 IICD CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(N2CCOCC2)cc1 793161534 FYWCXCCJHDNOSA-UHFFFAOYSA-N 425.916 4.324 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 795609229 XRPKPKYVJWUFTF-UHFFFAOYSA-N 437.524 4.250 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1 795915079 IXDGZIAWPDYNMK-MRXNPFEDSA-N 443.450 4.233 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 797648210 VYDSPYLNWDYBTE-QLJPJBMISA-N 434.361 4.233 10 20 IICD Cn1c(O)nc2ccc(NCc3cc(Br)cc(Br)c3O)cc21 799740520 QMOZKVJVILWKOJ-UHFFFAOYSA-N 427.096 4.122 10 20 IICD COc1cc(OC)c(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1Cl 800710378 UGENLRLIBBPCDI-UHFFFAOYSA-N 431.964 4.418 10 20 IICD CCc1oc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1C(=O)OC 800792633 FUVFIEVFXLXLSC-LICLKQGHSA-N 433.507 4.052 10 20 IICD Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802754232 MPVAUYYYYICVQF-QGZVFWFLSA-N 433.478 4.388 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 803029614 AMORCHFICSJPTF-GCJKJVERSA-N 435.545 4.443 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 804976503 YULJAUJCKWXYFG-QHCPKHFHSA-N 443.975 4.144 10 20 IICD Cc1nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1-c1ccccc1 810353183 BLMOKKAKSUILDG-UHFFFAOYSA-N 428.536 4.253 10 20 IICD O=C(NCCc1c[nH]c2cccc(Br)c12)NCc1ccc(N2CC=CC2)cc1 811884986 SNDMXBRTHKQCJS-UHFFFAOYSA-N 439.357 4.349 10 20 IICD O=C(Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1)C1=S=CC=C1 812956745 AVZCCIOWUDNPKD-UHFFFAOYSA-N 436.276 4.370 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)O[C@H](c3ccc(C)nc3)c3cncn3C)c2C)cc1 816322387 NCLOIYQCZAILDD-XMMPIXPASA-N 430.508 4.486 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(O)n3C[C@@H]3CCCO3)c2C)c1 844263022 PFDSVIRVFHCNPQ-IBGZPJMESA-N 440.569 4.162 10 20 IICD O=C(c1cccc(NCc2ccc(OCc3ccccc3)cc2O)c1)N1CCC(CO)CC1 864029008 SYLNHYGMRXOPJB-UHFFFAOYSA-N 446.547 4.428 10 20 IICD CN(Cc1cccs1)c1ccc([C@@H]2NC(=O)c3cc(N4CCOCC4)ccc3N2)cc1 877848382 LMKZXLWGYZEPSV-QHCPKHFHSA-N 434.565 4.075 10 20 IICD CC(C)N(C)Cc1ccccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 916387243 PPRUHHCZERLEAR-QHCPKHFHSA-N 425.573 4.123 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCO[C@@H](C)c3ccccc3)cc2F)C[C@@H](C)O1 918197188 PHLYWRXKFQSSLS-ZCNNSNEGSA-N 443.563 4.406 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)sc2n1 918992906 PJSIMCIDNFQSCW-LBPRGKRZSA-N 433.480 4.150 10 20 IICD C[C@@H](N[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920867848 VXNAFJZDZLLJIR-RLWLMLJZSA-N 429.564 4.232 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccnc3SCc3cc(C)on3)CC2)cc1 1116350501 COFZMZPHARVHOE-UHFFFAOYSA-N 438.553 4.031 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CC[C@@H](C)C2 1317741969 UFCBZHGKRFSHJL-CJNGLKHVSA-N 426.538 4.138 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(F)(F)F)c3)n2)c(F)c1 1330039094 ANQYYBZFXIVYPJ-UHFFFAOYSA-N 448.423 4.055 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1)C1=CCCC1 1787622822 NTMNAKVHMLCVDU-UHFFFAOYSA-N 442.519 4.024 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 9932383 XRHOHJJGHHXIPN-UHFFFAOYSA-N 445.519 4.194 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)c2C)cc1 22766350 OGUSPRPEVGTWSH-UHFFFAOYSA-N 432.524 4.054 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2nc(-c3ccco3)no2)c(C)n1-c1cccc(F)c1 105735248 NIJVCUJVVXKQLB-UHFFFAOYSA-N 437.427 4.235 10 20 IICD COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 110061265 YTNYQRRGLIGVCA-UHFFFAOYSA-N 439.943 4.248 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)Cc1cccc2ccccc12 302796524 DITPPZWXYUBWPJ-UHFFFAOYSA-N 429.564 4.147 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2ccncc2)c(C)n1-c1cccc(Br)c1 303138050 LMGKJBHLZLTTCS-UHFFFAOYSA-N 441.329 4.010 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Cc4ccccc4CO)CC3)ccc21 490345022 KYRLXHMINHOYTG-UHFFFAOYSA-N 434.580 4.492 10 20 IICD COCCOc1cc(C)ccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726696058 OODSJXLDUAFTMX-UHFFFAOYSA-N 449.498 4.412 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)/C=C/c2ccc(I)o2)cc1 728219975 VBDUDQPCXHWIQB-ACCUITESSA-N 438.309 4.402 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(N2CCCC2)c(Cl)c1 730904439 UNZSEYFITHZBEY-UHFFFAOYSA-N 432.927 4.238 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc21 737382134 QCQCCBLVLRXLNX-UHFFFAOYSA-N 449.504 4.188 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 740905880 WOYOEVRDIDCPOS-UHFFFAOYSA-N 444.510 4.454 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 741099043 WJBYLJWHRGWYSO-UHFFFAOYSA-N 425.598 4.492 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3CN(C)C(=O)OC(C)(C)C)ccc21 742882155 GJNCAEOZNXOEBY-HXUWFJFHSA-N 443.588 4.376 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@@H]1c1cccc(F)c1 743554407 DHXCXYNWJHQSTG-HXUWFJFHSA-N 437.437 4.338 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Oc1ccccc1F 743678403 LRXDRZSHGJBXEO-HNNXBMFYSA-N 437.462 4.163 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(C3CC3)n(C)n2)c(C)n1-c1ccc(OC(F)F)cc1 745263261 OJPMDTBJOGBJCS-UHFFFAOYSA-N 443.450 4.346 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 745452622 NRRUKEJTLDSGQQ-CYBMUJFWSA-N 434.334 4.406 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN(C)C1CCCCC1 745498672 ZLKLNFCSQIGGLS-UHFFFAOYSA-N 426.399 4.341 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](OC1CCOCC1)c1ccccc1 747389781 POKQITJQSRUODX-CPJSRVTESA-N 437.584 4.411 10 20 IICD CC(C)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1F 749834863 HBIQXSRFJAVSFF-UHFFFAOYSA-N 446.434 4.217 10 20 IICD CSc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751931869 URHGALXTOYADMN-ZDUSSCGKSA-N 427.551 4.222 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 752559184 HCKNXJCRCFVPMG-FQEVSTJZSA-N 442.560 4.213 10 20 IICD COc1cccc([C@@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 753201897 ANJACZLLMPAKSC-INIZCTEOSA-N 436.474 4.361 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2cc3c(cc2Br)OCCO3)c1 756480802 ZTGOAURQTQGWCD-RYUDHWBXSA-N 436.302 4.124 10 20 IICD C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(Br)ccc1O 756546565 RYDRKFNBQQVEAB-HUUCEWRRSA-N 436.369 4.457 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cc1 758415166 FQFYUYAWHPAETQ-PKSBALPTSA-N 435.473 4.311 10 20 IICD COc1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)ccc1[N+](=O)[O-] 759158672 IELZLAZBRFUUTP-UHFFFAOYSA-N 439.902 4.490 10 20 IICD COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 760309162 PQOUNVRYBFRKRU-DFBJGRDBSA-N 446.551 4.077 10 20 IICD COc1cc(N2CCN(Cc3ccccc3OCc3ccccn3)CC2)cc(OC)c1OC 761219436 PYWAYXOTAYWPTE-UHFFFAOYSA-N 449.551 4.009 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)cc2F)CC1 765851406 FREVSPHVTOAQHF-SFHVURJKSA-N 439.554 4.452 10 20 IICD CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 769542292 UCMYXYPLAQQXDH-NRFANRHFSA-N 433.552 4.084 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)CC1 770146706 HQZBNESYESCAFO-UHFFFAOYSA-N 428.536 4.333 10 20 IICD CC[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1O 775498364 JSCDIKKBCFZUDP-KRWDZBQOSA-N 437.371 4.037 10 20 IICD C[C@H](N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl 775567709 KIFIIMKYNRYJAO-QMHKHESXSA-N 428.939 4.489 10 20 IICD Cc1ccc([C@H]2COCCN2Cc2cc(Br)cc(Br)c2O)o1 775700738 OAKZAZNLQNQDNT-CQSZACIVSA-N 431.124 4.392 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 775773371 XBCGUUAFYQPDAF-HXUWFJFHSA-N 447.938 4.153 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 776070464 WUWXFUUENVPHAH-JOCHJYFZSA-N 427.545 4.133 10 20 IICD CN1Cc2ccccc2[C@H](NCc2cc(Br)cc(Br)c2O)C1 776252485 FDCFTJRCFHRKJD-MRXNPFEDSA-N 426.152 4.194 10 20 IICD Cc1cc(NS(=O)(=O)c2c(Br)cc(F)cc2Br)ccc1O 776748716 YFMQHFDHQZMBMR-UHFFFAOYSA-N 439.100 4.166 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](c1ccccc1OC(F)F)C(F)(F)F 778996498 RKCPTDISTUKGNC-LJQANCHMSA-N 445.432 4.206 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 779525875 NIKFIFRLRAKTAD-VXFXUCHBSA-N 437.879 4.441 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N)cc1 783484530 FBVPVBQXLAHNNQ-UUOWRZLLSA-N 445.519 4.169 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 784025909 NTOCOIIYPLHJNR-UHFFFAOYSA-N 432.520 4.369 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1OCC 784109723 ZGSKDXRMWNNJQZ-UHFFFAOYSA-N 425.529 4.228 10 20 IICD COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 786974872 XQCTUWPGKKALRP-NRFANRHFSA-N 434.005 4.422 10 20 IICD Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1 793869529 XAMMEBJBUVOPQC-HOCLYGCPSA-N 434.005 4.440 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](N4CCCCC4=O)C3)cc2Cl)C1 799994068 IHCFLAQBQRRUIR-UYAOXDASSA-N 447.023 4.263 10 20 IICD CCOc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C)cc(OCC)c1OCC 809859239 POONVAHOSLZXDN-UHFFFAOYSA-N 426.517 4.020 10 20 IICD CC[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1O 810237421 RYNBTDBSUHXFRI-SFHVURJKSA-N 428.476 4.192 10 20 IICD Cc1cccc(Br)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 811881104 STHGKMWAOFZTQK-HUUCEWRRSA-N 435.337 4.440 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1 812988103 ZOJUZWRMYXSCCL-RUZDIDTESA-N 449.555 4.079 10 20 IICD CNC(=O)[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CCC2 817055646 JLXAEFXXQSECHS-DOMQTXCISA-N 442.563 4.042 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)OCCCO3)c(C)n1-c1cccc(Br)c1 818400845 KWNGIFCIVUAGIC-UHFFFAOYSA-N 433.346 4.226 10 20 IICD Cc1nc(COc2ccc(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2)no1 822093861 WSGVBDFHFONWKU-UHFFFAOYSA-N 430.508 4.337 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ncc(Cc4cccc(OC)c4)s3)CC2)cc1 915321403 GDLCPKAUQFTFDQ-UHFFFAOYSA-N 438.553 4.105 10 20 IICD O=C(NCc1cc(Br)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916626561 CNEHNQNKKHLVBC-HNNXBMFYSA-N 425.348 4.107 10 20 IICD CN(C)c1ccc(CN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C2CC2)cc1 917074016 NCAYIRRVLFZOHG-UHFFFAOYSA-N 429.948 4.170 10 20 IICD C[C@@H]1CN(Cc2csc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)C[C@@H](C)O1 918028886 OSGADTXSTFEGDB-IAGOWNOFSA-N 443.617 4.015 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c2C)cc1 918594392 SORFSGCRVXGJBY-UHFFFAOYSA-N 427.545 4.232 10 20 IICD COCc1nc(OC)c2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)sc2n1 918658307 MAJFZALOIIOJGR-UHFFFAOYSA-N 442.585 4.272 10 20 IICD O=C(NCCCCOc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1325702087 BYCNAHLZKPFTLY-UHFFFAOYSA-N 433.499 4.415 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2c(F)cc(F)cc2OC)n1 1339326877 GHMMCMPUOGCUMC-UHFFFAOYSA-N 426.466 4.215 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)nn(C)c3C)c2C)cc1F 105374874 FCYMGULYZNZCDK-UHFFFAOYSA-N 425.504 4.251 10 20 IICD Cc1cc(C(=O)Nc2cccnc2-n2cncn2)c(C)n1-c1ccc(Br)cc1 303013275 KQBVZPLEIBNTSJ-UHFFFAOYSA-N 437.301 4.085 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H](C)c4ccsc4)CC3)ccc21 463036164 KAZZRVGTGLZXNV-IBGZPJMESA-N 425.598 4.485 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@H](C)c4ccsc4)CC3)ccc21 463036165 KAZZRVGTGLZXNV-LJQANCHMSA-N 425.598 4.485 10 20 IICD CC(C)c1noc(-c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)n1 523981103 APPKDVWXNHHOFI-UHFFFAOYSA-N 432.505 4.328 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3F)SC2=S)cc1 726626811 GRDSKFMIOQCVRY-RIYZIHGNSA-N 437.315 4.093 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)cc1 726716607 NHXOLJMZEQNRQB-UHFFFAOYSA-N 436.600 4.496 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 727470156 FODWKXYPBVMNKX-SFHVURJKSA-N 425.520 4.246 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1c(F)cccc1F 731036128 FXTKLWIIPJBRCE-UHFFFAOYSA-N 431.483 4.381 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)cc2)CC1 731120849 FNFPSPZVRFXQJU-OAQYLSRUSA-N 444.620 4.369 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3N3CCCCC3)cc2)CC1 731131083 FDLFRTIOSBUZQI-UHFFFAOYSA-N 434.584 4.168 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 733038631 QJGMIGNSMLPAOU-NRFANRHFSA-N 433.474 4.112 10 20 IICD C[C@H](CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1)NC(=O)/C=C/c1cncc(F)c1 733955913 SMVRXHAOQNVQBC-RBGGFZMOSA-N 448.473 4.019 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 739765248 FZCFRUXUBMLPKB-UHFFFAOYSA-N 430.552 4.357 10 20 IICD O=C(Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)[C@@H]1Cc2cc(F)ccc2O1 740640903 GCLZHPDKEOVEIV-QFIPXVFZSA-N 447.374 4.416 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccnc3ccccc23)NC(=O)OC(C)(C)C)cc1 742753603 KMMIJQSFKNYJDH-QFIPXVFZSA-N 434.540 4.297 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801317 PHAJWOJJIDQVNE-LJQANCHMSA-N 448.558 4.475 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCn1c(C)nc2ccccc21 745346492 SPRQKUVUUWBWPM-UHFFFAOYSA-N 431.334 4.045 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 745586771 TVBRGRBKHQMMBJ-HXUWFJFHSA-N 446.389 4.351 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745903923 KASFJBNNDPBAAN-LSDHHAIUSA-N 435.471 4.031 10 20 IICD COc1ccc(-c2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n[nH]2)cc1OC 751312089 UKJBTVKIUVKRBZ-UHFFFAOYSA-N 434.540 4.356 10 20 IICD COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c(OC)c1 752126755 URGWMSJIPFXVRC-GOSISDBHSA-N 425.510 4.172 10 20 IICD Cc1cc(C(=O)N2CCOCC3(CCOCC3)C2)c(C)n1-c1cccc(Br)c1 753380056 OVFOBSOFBPJLEN-UHFFFAOYSA-N 447.373 4.126 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)cn2)sc(C)c1-c1ccccc1 753484438 ZMROZSKLJOMDOT-UHFFFAOYSA-N 438.505 4.399 10 20 IICD C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 759595970 SNTGFVNPVRWIDX-HTZNOQTFSA-N 429.778 4.354 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cc(F)ccc2Br)SC1=S 761176945 PUNIMYCAKZUZMV-UKTHLTGXSA-N 432.336 4.434 10 20 IICD COc1cc(Br)c(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(OC)c1 768482711 FMQBFXKYXAMBBD-NVNXTCNLSA-N 437.340 4.267 10 20 IICD COc1ccc(N2CCC(NC[C@H](CO)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 773070409 PKTBRTUMXWIOHY-GOSISDBHSA-N 438.490 4.003 10 20 IICD CCOC(=O)c1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)nc2ccccc2c1C 775255409 OPQMBLKDUKUFHX-IBGZPJMESA-N 433.552 4.407 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775391325 AURGZLBWYAMETF-FUDKSRODSA-N 437.588 4.083 10 20 IICD COc1ccc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(F)(F)F)cc1 776000644 YTJKDYIOBURCLU-AZUAARDMSA-N 438.446 4.395 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)c1cc2ccccc2[nH]1 777827313 ZFUHVHZEODODJG-GOSISDBHSA-N 427.504 4.393 10 20 IICD CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2)CC1 781342576 GGDUKJQEZQVVJO-UHFFFAOYSA-N 430.552 4.011 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc([N+](=O)[O-])c1C 792536061 VJJAWNGGSSZYEE-UHFFFAOYSA-N 425.407 4.183 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797611136 VDJFIDOWMALDEI-UHFFFAOYSA-N 445.350 4.288 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2Cl)C1 800050096 MZUVCCXVZZZRFS-INIZCTEOSA-N 441.959 4.156 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 802343058 UYJUTNOPSASYMR-SFHVURJKSA-N 429.492 4.045 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1 802610079 PTJPABXBGJWBHJ-UHFFFAOYSA-N 437.584 4.392 10 20 IICD CN(C)S(=O)(=O)C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(F)(F)F 806101636 LRCUJOFVXCZELL-INIZCTEOSA-N 443.451 4.046 10 20 IICD CCc1nc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cs1 806115081 QZHMZFKFCJBYCZ-LSDHHAIUSA-N 449.020 4.089 10 20 IICD COc1cc(Cl)cc(CN(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1O 809766004 UVWCZFHOXHDFSK-UHFFFAOYSA-N 433.980 4.171 10 20 IICD Oc1c(Br)cc(Br)cc1CNC1CCN(CC(F)(F)F)CC1 809793314 CHGWCYNXOZGTBR-UHFFFAOYSA-N 446.105 4.034 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccc(F)cc1F 914478576 XPYWSWJWUBJDAR-MHWRWJLKSA-N 438.546 4.324 10 20 IICD O=C(NCc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915787761 FLPNFBTUFOPOTO-UHFFFAOYSA-N 441.491 4.249 10 20 IICD Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccc(N(C)C)cc1 916159275 BKMVBSLACFATAD-UHFFFAOYSA-N 427.346 4.248 10 20 IICD CCCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920872554 UGJONXAWOWNLLD-MOPGFXCFSA-N 441.572 4.442 10 20 IICD CCOc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCC 920879121 GZDKYIRTZGEGNQ-GOSISDBHSA-N 442.556 4.210 10 20 IICD C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1318630382 STRXYVXLYCDPSB-FGZHOGPDSA-N 438.635 4.345 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 1324187346 WUGCITRYGMANAD-NRFANRHFSA-N 426.948 4.067 10 20 IICD COc1cc(Br)c(OC)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 1347988051 MTTZSKNODYMMIY-UHFFFAOYSA-N 433.346 4.387 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccccc3)C2)cc1 1842697089 VMMYSVRBCVXBPI-UHFFFAOYSA-N 427.548 4.154 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 303583012 RPVYYVPYMIOUBN-UHFFFAOYSA-N 441.425 4.267 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 437006061 GUVFYVMGUJYQCP-QFIPXVFZSA-N 429.520 4.039 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n(C)c2ccccc12 472804216 CRLWMLNVCHLYKV-UHFFFAOYSA-N 433.508 4.173 10 20 IICD Cc1c(CN[C@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)n(C)c2ccccc12 479453807 NDIZFCMCAKRERP-JOCHJYFZSA-N 439.003 4.168 10 20 IICD Cc1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)ccc1NC(=O)C1=S=CC=C1 535489334 WVSFPWYKHBWDIB-UHFFFAOYSA-N 430.533 4.172 10 20 IICD COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Br 726277206 ZZUPVAHFOFVAII-KRWDZBQOSA-N 449.345 4.054 10 20 IICD CC(C)n1ncc2cc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cnc21 726696825 WGHUDIUEMYPNIR-UHFFFAOYSA-N 444.486 4.404 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 727167940 DIXDKRJDJYZDAO-UHFFFAOYSA-N 438.977 4.175 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COc2ccc(Br)cc2)cc1 728839445 OEAMRIHKPZMTLL-UHFFFAOYSA-N 445.279 4.485 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)C2CC2)cc1 730381168 GZYHVKPMUXMOOI-UHFFFAOYSA-N 438.553 4.145 10 20 IICD CC(=O)c1ccc(NC(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 731035417 WMSUAJQTUUFOCU-UHFFFAOYSA-N 437.540 4.305 10 20 IICD COCCN(C(C)=O)c1nc(COC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cs1 733815461 QAJOFPKOAWITOT-UHFFFAOYSA-N 441.553 4.215 10 20 IICD COc1cc(N(C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc(OC)c1OC 741799320 YPNNHXSMAXYVPQ-UHFFFAOYSA-N 430.835 4.042 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)c1 743285824 YDASAIIZZMYGBI-ZHZULCJRSA-N 426.563 4.328 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)c(Br)c1 743344830 VHSYWEDKLXZNPH-UHFFFAOYSA-N 427.339 4.057 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2cccc(F)c2)C1 745903465 GYTPUMHQFYIIPY-WIYYLYMNSA-N 449.473 4.179 10 20 IICD CC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCOCC1 746359476 KWRDXUZDVZVGMY-MUBYSKIDSA-N 438.640 4.051 10 20 IICD Cc1cc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c(C)n1-c1ccccn1 749227638 JQEIFOWOLIDJJG-UHFFFAOYSA-N 425.492 4.066 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 751386452 UZGWUJOMBTVMHE-CJFMBICVSA-N 433.596 4.293 10 20 IICD CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)n2)cc1 751590944 LGDRYPMTVYNFDD-MRXNPFEDSA-N 432.571 4.066 10 20 IICD CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1 751612134 MYTUGGPMJFVPRG-WIYYLYMNSA-N 432.515 4.391 10 20 IICD O=C(NCC1([C@H](O)c2ccccc2)CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 752680484 HCKNPCWRCHPZSX-WIYYLYMNSA-N 445.510 4.070 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4cccs4)n(C4CC4)c3=S)CC2)cc1F 754013303 OGZLDNDQUVQQFX-UHFFFAOYSA-N 445.589 4.405 10 20 IICD CS(=O)(=O)N1CCc2c(NC(=O)N(Cc3ccccc3O)C3CCCCC3)cccc21 758299332 ASGGEDLPJSQGEH-UHFFFAOYSA-N 443.569 4.081 10 20 IICD COc1cc(N2CCN(C(=O)c3cccc(-c4ccccn4)c3C)CC2)cc(OC)c1OC 759241162 MXMSTIAKZNICBG-UHFFFAOYSA-N 447.535 4.045 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 759927479 IAFZMBXYVMHMBH-LEWJYISDSA-N 442.541 4.302 10 20 IICD Cc1cc(CC(=O)N(C)c2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 766601370 IIHKCDGABWDSJS-UHFFFAOYSA-N 430.957 4.357 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1F 771320389 RPXLDKANTDDWJD-UHFFFAOYSA-N 431.527 4.090 10 20 IICD Cc1ccncc1[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 771387053 KJXZVJMEJOZBOE-RQNDZEIBSA-N 431.608 4.310 10 20 IICD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc([N+](=O)[O-])c(OC)c1O 774824179 ZMWSJIYGAKRFHF-UHFFFAOYSA-N 442.299 4.467 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 774923904 OZLFPRUODXVKSN-INIZCTEOSA-N 435.490 4.387 10 20 IICD COc1c([N+](=O)[O-])ccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1O 775069651 FPUIOKIVTZANSH-OAHLLOKOSA-N 425.510 4.328 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](OC)c3ccccc3Cl)CC2)cc1 776205004 HQOSOHMRVFBKGU-VGOFRKELSA-N 431.964 4.347 10 20 IICD CCOc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 783413625 CIBZHHOKCQQGSS-IBGZPJMESA-N 440.584 4.476 10 20 IICD CC(=O)Nc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1Cl 784109725 ZGUVKDWKUOTHQZ-UHFFFAOYSA-N 428.920 4.043 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)c(OC)c3)CC2)cc1F 790543513 UHEPLMVLUXAWKV-UHFFFAOYSA-N 427.398 4.216 10 20 IICD CO[C@H]1CCOc2c(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cccc21 790957438 JHXCPANFPCGGEL-SBUREZEXSA-N 445.519 4.472 10 20 IICD O=C(CCSCc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 791526732 ZXAZXUFOIIPZIG-UHFFFAOYSA-N 438.515 4.482 10 20 IICD O=S1(=O)CCN(c2ccc(CNCCCCc3ccc(Cl)c(Cl)c3)cc2)CC1 792976655 FGUXBXSHIUBTBZ-UHFFFAOYSA-N 441.424 4.341 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@@H](OC)C[C@@H]2C)sc(C)c1-c1ccccc1 799344808 IGFVJNAASDVMFO-MAUKXSAKSA-N 430.570 4.338 10 20 IICD Cc1cc(C(=O)CN2CCC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1 800460945 XRAJROUZZKDUSW-QFIPXVFZSA-N 430.614 4.299 10 20 IICD C[C@H](NC[C@H](O)c1cccc(Br)c1)c1cc(Br)c(F)cc1O 800497708 PZJJVAALJXSSCE-FVMDXXJSSA-N 433.115 4.441 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 800538471 ZHSWHOVHVBXZPL-UHFFFAOYSA-N 441.641 4.103 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccs2)cc1 802696425 ABUKXIKLXKVVFY-LJQANCHMSA-N 425.602 4.374 10 20 IICD CCOC(=O)C(C)(C)c1csc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 806824476 NZRQGMBHMCNFRT-UHFFFAOYSA-N 432.329 4.318 10 20 IICD O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807543774 LWGJYIMDGPHEJS-IRLDBZIGSA-N 432.520 4.357 10 20 IICD Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c(C)n1-c1ccccn1 914847078 NTNXFYZUUGBJDJ-UHFFFAOYSA-N 431.565 4.057 10 20 IICD CC(C)C(=O)Nc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cs1 916046583 UIWLXRGVHCVDIU-UHFFFAOYSA-N 440.569 4.168 10 20 IICD CCCOc1ccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c(C)c1 918052971 IYRNIBPWADIIOU-UHFFFAOYSA-N 440.588 4.126 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2C)c1 919525771 MWMAIFFDNJRNRG-UHFFFAOYSA-N 433.508 4.006 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)CC2)cc1 919776933 YQRVXJKYOUPZCW-UHFFFAOYSA-N 445.445 4.254 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(Br)ccc1F 919895117 BROPJLUXWUZSNL-UHFFFAOYSA-N 432.337 4.373 10 20 IICD CCCCOc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920869894 CYVVQRUPQISYRD-FQEVSTJZSA-N 425.573 4.305 10 20 IICD C[C@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 920871787 GGCDTCULSMWMDR-AWEZNQCLSA-N 441.425 4.486 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 1319734306 WAVILWNBPOXAMT-UHFFFAOYSA-N 449.551 4.160 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290924 GBGPNSMAZYXCCF-DYVFJYSZSA-N 444.919 4.137 10 20 IICD CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737062 IKODVYOYBQOZRS-KXBFYZLASA-N 436.980 4.421 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 72005632 YTWXTWAFLZWAQL-UHFFFAOYSA-N 427.526 4.117 10 20 IICD COc1ccc(N2CCCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)CC2)cc1 301101354 QQWMCFDWIDBUMI-UHFFFAOYSA-N 445.350 4.265 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(C2CC2)[C@H]2CCCc3ccccc32)c1 725772025 PWWFXEZHVSJDRN-SANMLTNESA-N 434.580 4.469 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)SC2=S)cn1 726986562 SQBNVHJIQVPVCR-RIYZIHGNSA-N 437.340 4.267 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)ccc1[N+](=O)[O-] 734739851 HCPSMLRDJYQBLC-UHFFFAOYSA-N 441.437 4.429 10 20 IICD O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCCCSc1nccs1 735054173 PDHJEDVLZRKNQH-XMMPIXPASA-N 447.445 4.092 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(c4ccc(F)cc4C)C3)CC2)cc1 735386446 VHSGXYMWXWIVAE-NRFANRHFSA-N 440.563 4.080 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 735390533 UHLJGBSLFPVXNX-UHFFFAOYSA-N 431.536 4.237 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F 737208316 HUHANFIKEPGING-UHFFFAOYSA-N 441.931 4.327 10 20 IICD CCCCCC[C@@H](C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 741910253 PRWUGUZNUZJMMB-LJQANCHMSA-N 427.568 4.165 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)NC(=O)OC(C)(C)C)cc1 742750762 PKYAVLFJHZWHMF-SFHVURJKSA-N 429.586 4.299 10 20 IICD CCOC(=O)c1ccsc1NC(=O)N(CC)Cc1cc(Br)ccc1O 746741008 CDEWJSXAJCDZMV-UHFFFAOYSA-N 427.320 4.447 10 20 IICD Cc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1C(C)C 749502112 SKGDQEYYMOGUJK-SFHVURJKSA-N 433.556 4.027 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 750984998 UKVNTEMXFIKFKL-YADHBBJMSA-N 429.630 4.141 10 20 IICD CC(C)c1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1-c1ccccc1 753842576 UFLDXIMIARHFAK-UHFFFAOYSA-N 447.583 4.437 10 20 IICD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(N=Nc2ccccc2)cc1 755745177 YTOFVPPVJIDYCG-LRGYGIHKSA-N 429.480 4.031 10 20 IICD CNC(=O)c1ccc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cc1 756397620 WHJYQBYYLBBVHQ-JTQLQIEISA-N 442.151 4.128 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc2c1CN(c1ccccn1)C2 757909043 PABFLHMAYIDPDK-UHFFFAOYSA-N 445.592 4.477 10 20 IICD COc1cc(Cl)cc(CN(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c1O 761196240 ZVDXMUMXKMYUIF-UHFFFAOYSA-N 440.927 4.121 10 20 IICD COC[C@@H](c1cccc(C(F)(F)F)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761363766 SUFUJECMZDKTKW-INIZCTEOSA-N 442.821 4.216 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 761882926 ZZBYAVLLILRUPQ-UHFFFAOYSA-N 439.556 4.004 10 20 IICD C[C@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(N2CCOCC2)c(F)c1 764990956 RIXKEDUBIIHVAM-SJORKVTESA-N 426.536 4.358 10 20 IICD Oc1cc2c(cc1CN1CCN(Cc3ccc(-c4ccccc4F)s3)CC1)[C@H](O)CO2 768440180 DTBDWOSYMHLHBN-JOCHJYFZSA-N 440.540 4.003 10 20 IICD CCc1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C 770102797 VXACCAJNQAWJTO-UHFFFAOYSA-N 448.546 4.135 10 20 IICD COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)OC(C)C 770343230 AJQLWLRPEONWRK-HSZRJFAPSA-N 443.613 4.214 10 20 IICD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 772999110 LIAWSCAVWYHZMP-MGPUTAFESA-N 434.005 4.135 10 20 IICD O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)ccc1F 776744246 RAQXTHAQBXLITA-UHFFFAOYSA-N 444.465 4.307 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N)cc1 783481741 DIHZIGMCTMVMMM-INIZCTEOSA-N 443.507 4.209 10 20 IICD CCOC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783483303 RTUPANGAMVCBTK-KRWDZBQOSA-N 431.492 4.178 10 20 IICD Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)cc(N2CCN(C(C)C)CC2)c1 790995346 NSHZKVMJKDTIKE-UHFFFAOYSA-N 426.580 4.113 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1F 797453349 PQCZELGMWUILEN-UHFFFAOYSA-N 435.547 4.416 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2Cl)C1 800050063 MLSMARUVJOLOST-CYBMUJFWSA-N 431.876 4.143 10 20 IICD CC(C)Oc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636791 NMHKECBJUZOQQX-MRXNPFEDSA-N 444.963 4.013 10 20 IICD Cc1nc(CN2CCC(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)oc1C 805104957 FOEXASFUFHKOCX-UHFFFAOYSA-N 441.359 4.015 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 806670811 JMQIINMFHKTSAN-GFCCVEGCSA-N 432.348 4.145 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 807513338 LOHZMXOGUMLCIU-UHFFFAOYSA-N 435.229 4.449 10 20 IICD COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1cc(Cl)cc(Cl)c1O 807837875 FPQPMNIDNBRHMJ-UHFFFAOYSA-N 426.296 4.386 10 20 IICD COc1cccc([C@H]2[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)CC(=O)N2C2CC2)c1 807840714 ICXVRASEIIJYNX-PXNSSMCTSA-N 449.334 4.076 10 20 IICD Fc1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)ccc1N1CCOCC1 809786775 KPOSHAWKIHXXES-OAQYLSRUSA-N 440.437 4.134 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc[nH]4)n3CCc3ccccc3)CC2)cc1 812054918 QDQOZXOZYGZMQX-UHFFFAOYSA-N 442.567 4.241 10 20 IICD CCCCN(CC)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914109737 FYJXXVQYPXDQDV-RVDMUPIBSA-N 441.416 4.299 10 20 IICD Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 916607019 MMYBFKJAJCTOCM-UHFFFAOYSA-N 447.443 4.475 10 20 IICD Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917692786 OGKLYLXXELGAAE-UHFFFAOYSA-N 444.418 4.411 10 20 IICD CCC(=O)Nc1ccc(C)c(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 917814303 OJAXTDZGEFJPDE-UHFFFAOYSA-N 441.487 4.170 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1C 917902191 CJTHQIKEBBIHOO-UHFFFAOYSA-N 439.584 4.018 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1 917954575 QNZCNUYMFQULOJ-VWLOTQADSA-N 448.611 4.356 10 20 IICD CCCCOc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 919790156 NCLIYYIZUOLMCY-LJQANCHMSA-N 441.572 4.271 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1n[nH]cc1I 1116625812 FSYLTDCBZZOJNZ-CYBMUJFWSA-N 447.276 4.124 10 20 IICD C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)c1ccc(N2CCOCC2)cc1 1337859130 VMQLNQZTHKBMID-AWEZNQCLSA-N 433.430 4.394 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)nc3)C2)cc1 1840972327 SMZMFQWEYLRDPN-UHFFFAOYSA-N 448.954 4.273 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3cccnc3)C2)cc1 1842084647 DDZIVRXFMPCKNG-MDWZMJQESA-N 440.547 4.020 10 20 IICD COc1ccc2ccc(O)c(CN3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)c2c1 108023773 JEJONOXJWHZOPA-MRXNPFEDSA-N 425.916 4.453 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)n(C)c2ccccc12 472790929 RORMGYRGPKTXPI-UHFFFAOYSA-N 443.551 4.110 10 20 IICD Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C 579632043 IQPMPCNEQZMVEW-UHFFFAOYSA-N 440.547 4.035 10 20 IICD CN(C)c1ccc(/C=C2\NC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1F 727654468 MYKPLSNJKNEGNM-GDNBJRDFSA-N 425.407 4.053 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 729061524 GTRPWUDJTJEAAQ-ZDUSSCGKSA-N 443.550 4.133 10 20 IICD COc1cccc(CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)c1O 729859153 KFQOYYQLHNSRRB-UHFFFAOYSA-N 442.471 4.317 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F 731398511 MGROUZLFVSPKSE-UHFFFAOYSA-N 440.441 4.286 10 20 IICD Cc1ccc2c(c1)OCCN2C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 741633662 XNOCPABKSNJINU-AQTBWJFISA-N 444.603 4.464 10 20 IICD Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cnn1C(C)(C)C 742753823 LQQNKUUDIACXNS-FQEVSTJZSA-N 443.592 4.008 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccc(F)c2)NC(=O)OC(C)(C)C)cc1 742754548 PTCBHHHJZWFUNU-ZGQNHIEXSA-N 427.520 4.287 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2ccccc2)nc1O 742802373 XMVKDOOFPCSSMK-QGZVFWFLSA-N 439.462 4.454 10 20 IICD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804716 AXNLYKCFDALNKF-AWEZNQCLSA-N 439.846 4.177 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 743213029 NCBJGILVFZMFGD-UHFFFAOYSA-N 449.534 4.333 10 20 IICD Cc1cccc(O[C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 743554865 MUIUCJUJASBFFG-QRVBRYPASA-N 429.536 4.014 10 20 IICD CCOc1c(Br)cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1OC 743719600 KEMZEPZPOHOZQW-UHFFFAOYSA-N 434.330 4.371 10 20 IICD C[C@@H]1CCCCN1CCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 764353797 KZMYSMYHYLOEFL-OAQYLSRUSA-N 444.689 4.426 10 20 IICD COc1ccc([C@@H](C)[C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 765279483 GSSGDUWVEJOIRI-PMACEKPBSA-N 449.574 4.233 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@@H]1CCc2c(Br)cccc21 765479308 HWEGZRNHKGGKJG-OAHLLOKOSA-N 440.135 4.404 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCc1cccnn1 767882512 QVKDNGXVUOYVQB-IBGZPJMESA-N 429.446 4.471 10 20 IICD Cc1cc(Br)c(F)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 771234426 NWBJBGRRUNCVRV-UHFFFAOYSA-N 440.288 4.194 10 20 IICD CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)ccc1O 775491176 ZGDPFUIGPCLCAC-LJQANCHMSA-N 437.353 4.496 10 20 IICD COc1ccc(N2CCC(NC[C@](O)(c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 777121496 DQDOKIHGXYJKHC-FQEVSTJZSA-N 428.882 4.357 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 779491381 OEPSTRIMOOUOJE-WZUFQYTHSA-N 444.896 4.204 10 20 IICD CCN1CCN(c2ccc(CNCc3cnn(Cc4ccccc4)c3Cl)cc2F)CC1 790534253 OWYFSUXICYRJKQ-UHFFFAOYSA-N 441.982 4.156 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cscc3Br)SC2=S)cc1 794680561 PIDCUZWVGKCNSZ-LFYBBSHMSA-N 425.354 4.015 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1cccc(C(F)(F)F)c1 796168139 SDLZQNQVGLXROH-UHFFFAOYSA-N 431.414 4.262 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3CN3CCCC3=O)cc2Cl)C1 800720421 SPNFMXNCDZUJBW-QUCCMNQESA-N 447.023 4.263 10 20 IICD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 807834925 SBLSYNCCCCBHEL-QGZVFWFLSA-N 437.323 4.019 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 808528106 RICGOTMSQLPXBF-UHFFFAOYSA-N 429.567 4.320 10 20 IICD CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1O 810212881 GDNJTUIQWYGSQF-UGSOOPFHSA-N 430.492 4.463 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 811519911 GEXVGZLPYCXAME-LBPRGKRZSA-N 435.547 4.214 10 20 IICD CCOCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)no1 812316360 GTMVSHMCWMEUDY-CYBMUJFWSA-N 447.333 4.267 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncn(C(C)(C)C)n2)c(C)n1-c1ccc(OC(F)F)cc1 812695338 HZRHGHCHOBNBHU-UHFFFAOYSA-N 446.454 4.082 10 20 IICD Cc1cc(C)c(/C=C2/SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1C 814274845 DENJZSRFAAYFKG-YBFXNURJSA-N 446.619 4.268 10 20 IICD Cn1cc(C(=O)N2CCc3ccccc32)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 814361533 ZIMOWICBKSXYKU-NRFANRHFSA-N 444.535 4.139 10 20 IICD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc(Cl)c(F)cc1O 816599964 GIRSRTAFJGGBJR-UHFFFAOYSA-N 435.746 4.147 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OC)c1OC 915858581 MGIUCHAJBXWWDU-ATVHPVEESA-N 430.551 4.184 10 20 IICD CCOc1ccc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OCC 915888305 JKXGHPSQTNEAFA-UHFFFAOYSA-N 443.613 4.079 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@H]1Cc1ccccc1 916631442 HHGCPCTWKOFDIK-NRFANRHFSA-N 447.501 4.459 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1nc2c(s1)CCCC2 916669214 XJBFTTMAPQTZIF-UHFFFAOYSA-N 440.491 4.199 10 20 IICD CC(C)N(CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(N(C)C)cc1 917075522 YQFBGWVMEBTWCE-UHFFFAOYSA-N 439.419 4.199 10 20 IICD CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(OC)cc1 917117792 VSADECXQDJPRBB-RSXGOPAZSA-N 449.595 4.302 10 20 IICD O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294054 CEXBVAQHIYVYQK-QHCPKHFHSA-N 430.504 4.206 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CC(C)(C)C 919701349 XXXJEOCEDRKECW-GOSISDBHSA-N 427.568 4.021 10 20 IICD Cc1nccn1-c1ncccc1CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 919778764 BSEVLPSVNHWOBP-UHFFFAOYSA-N 428.540 4.025 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 920189854 POZJMUCPANFJCG-UHFFFAOYSA-N 438.915 4.190 10 20 IICD CCOC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl 920873310 URYXVQVBHSCUMK-HNNXBMFYSA-N 431.920 4.236 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CCC(NC(=O)c3cc(C)on3)CC2)cc1 1116442466 YGLJBDBZNNDFNA-UHFFFAOYSA-N 432.568 4.404 10 20 IICD COC(=O)[C@@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)Cc1ccncc1 1253329205 GKKXQIXRSXCWLV-LJQANCHMSA-N 445.523 4.325 10 20 IICD Cc1ccc(CC2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)cc1 1320018231 WSIDOOLIMUUSTA-UHFFFAOYSA-N 439.575 4.260 10 20 IICD CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)C(=O)Nc1ccccc1C 1320915211 ATIXOIOAYPWJHW-HXUWFJFHSA-N 426.580 4.125 10 20 IICD Cc1occc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830735054 KGKRXXSMOBUWJY-LJQANCHMSA-N 446.931 4.200 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccncc3Cl)C2)cc1 1844441450 DDVNUMFIECRXHG-UHFFFAOYSA-N 448.954 4.273 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1coc2ccc3ccccc3c12 45442848 ZJVSSKOPZXQNST-UHFFFAOYSA-N 430.504 4.396 10 20 IICD O=C(Cc1sccc1C(=O)N1CCCc2cccc(O)c21)N1CCCc2cccc(O)c21 494996575 JOGUCGFMSCFUFQ-UHFFFAOYSA-N 448.544 4.274 10 20 IICD COc1ccc(OC)c(NC(=S)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 726478993 VTSUEOCELMKTFE-UHFFFAOYSA-N 426.586 4.045 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(-c2cccc(F)c2)n1 726565630 IHFCIPCLILYBGB-UHFFFAOYSA-N 430.430 4.012 10 20 IICD O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1c1ccc2c(c1)OCO2 727462882 CUVRZYBNQGFCAP-XMMPIXPASA-N 447.466 4.162 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 728835958 PSYMLXJHHBGGEB-UHFFFAOYSA-N 427.426 4.450 10 20 IICD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 730416430 CFVVNLVBDMZXBF-UHFFFAOYSA-N 432.401 4.009 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)cc2)CC1 731119746 KZCMMYXLGHWHTI-OAQYLSRUSA-N 444.620 4.321 10 20 IICD C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 737698629 RCAMVGOCBZYUHQ-CYBMUJFWSA-N 444.418 4.269 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c4[C@H]3C)cc2F)C[C@@H](C)O1 738461055 UFRKCQINWYNNCK-IXDOHACOSA-N 429.511 4.407 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(I)c1 740604531 GGFYJXUQTONYKG-UHFFFAOYSA-N 442.303 4.216 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 740919423 SGVLZEMGUYUHGV-UHFFFAOYSA-N 442.510 4.132 10 20 IICD Cc1ccc([C@@H](NCc2cc3c(cc2O)OCO3)c2cccc(S(C)(=O)=O)c2)c(C)c1 742379345 VXSJNGJAIJVIIE-DEOSSOPVSA-N 439.533 4.020 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC[C@@H]2CCCO2)cc1 742800403 QZHOTAQWQHFLLP-AVRDEDQJSA-N 446.494 4.245 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(F)c(F)cc1I 743229909 LDAIYTPYDKHJSE-UHFFFAOYSA-N 445.251 4.266 10 20 IICD Cc1nc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccc12 743580957 KPRZOGQNKTTXGZ-MRXNPFEDSA-N 441.482 4.008 10 20 IICD O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745261909 ZSZQBOZUFYRJOU-KRWDZBQOSA-N 428.483 4.280 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(-c2cccc(F)c2)no1 745920932 RZWRZBZHDPULKD-KXBFYZLASA-N 440.475 4.033 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)ccc3OC)n2)s1 747856126 FRZKJBWIPRJJQA-UHFFFAOYSA-N 438.552 4.030 10 20 IICD CSc1ccncc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 750116796 RGDLSWOYAPCROZ-GDNBJRDFSA-N 435.621 4.485 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1I 751095848 VTCJYPIXVNQXBX-UHFFFAOYSA-N 437.237 4.052 10 20 IICD C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc(S(=O)(=O)N(C)C)cc1 753550990 LGLJZKLJFHVETB-GOSISDBHSA-N 440.565 4.072 10 20 IICD COc1ccc(N2CCC(NCc3cn(-c4cccc(Cl)c4Cl)nn3)CC2)cc1 754825114 YPZZBFICGPKUAP-UHFFFAOYSA-N 432.355 4.341 10 20 IICD CC(C)[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)C(=O)N1CCCC1 756707232 XBTZYVCQAPGYMM-NHYWBVRUSA-N 448.199 4.215 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)CC2)cc1F 757051908 GCOJXFCQXQEYSE-UHFFFAOYSA-N 447.510 4.073 10 20 IICD CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 757272695 CWVSCVVNGXNPDT-CJFMBICVSA-N 430.548 4.272 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 757898550 FQUDAKYUVONQGY-UHFFFAOYSA-N 449.555 4.319 10 20 IICD COc1cc(N2CCN(C(=O)NCc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC 759244152 ITUFWIWHXGBAJI-UHFFFAOYSA-N 441.572 4.042 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCCCSc1nccs1 762759410 JWNUANJRPVHELV-IXDOHACOSA-N 427.636 4.020 10 20 IICD COc1ccccc1N1CC[C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 765544902 ILEXOUBJGKMMBU-RTBURBONSA-N 429.992 4.362 10 20 IICD CCN(C)c1ccc([C@@H](C)NCCCNC(=O)c2cc(OC)ccc2Br)cc1 765886648 VGTARFLRMBNGOQ-MRXNPFEDSA-N 448.405 4.385 10 20 IICD O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(OC[C@H]2CCOC2)c(F)c1 767673325 YBJFFKKDHQWOCA-LBPRGKRZSA-N 440.543 4.227 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2F)C[C@@H](C)O1 769032382 GQAGFQWIZREEBX-WSTZPKSXSA-N 433.568 4.120 10 20 IICD C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 769683266 CUARRWSDMUCPDW-HZPDHXFCSA-N 445.526 4.323 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(Cl)c2SCC(F)F)c1 769888698 NNBIHPBFBMVNTG-UHFFFAOYSA-N 436.889 4.027 10 20 IICD Cc1ccc(SC[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 770535152 CTLBANLXGVXDAL-KRWDZBQOSA-N 431.577 4.075 10 20 IICD CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)cc3)SC2=S)cc1 771513939 OJTKRXBXRZLOCT-RCCKNPSSSA-N 437.590 4.047 10 20 IICD O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 778411373 RCZBCHFRAWABFJ-URBSLRRNSA-N 448.635 4.090 10 20 IICD Cc1cc2c(cc1NC(=O)CCCN1C(=O)/C(=C\c3cccs3)SC1=S)OCO2 781204695 XMQJNHDFXUMREP-RQZCQDPDSA-N 446.575 4.405 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(C)nc1N1CCCC1 781385430 ABELNQXYRSHJQM-UHFFFAOYSA-N 447.377 4.190 10 20 IICD C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc2ccccc2o1 781825472 DGYSWABZQJSFPT-GFCCVEGCSA-N 442.383 4.429 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O 782540408 VXJYYBYPINKDTP-CABCVRRESA-N 429.355 4.089 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2ccccc2n1CC(F)(F)F 782676342 IMQNZQNUHQLIAE-UHFFFAOYSA-N 435.421 4.109 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C 782774991 XFBSDMHJYUNILH-UHFFFAOYSA-N 432.590 4.265 10 20 IICD O=C(Nc1ccnn1CCc1ccccc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896111 MUTCVHARWHFSKT-UHFFFAOYSA-N 446.551 4.131 10 20 IICD COc1ccc(N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)Cc2cccs2)cc1 782968873 ZNTFRTDARULQGU-UHFFFAOYSA-N 441.578 4.051 10 20 IICD COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C(F)(F)F)c1 783316830 NXTWFQQKKUVNBC-UHFFFAOYSA-N 437.462 4.156 10 20 IICD COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(Br)c1 789131445 YASOLODVKVYZAN-ZSOIEALJSA-N 435.324 4.037 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC1=S 790589659 CXWKXDDYEIMZHY-LICLKQGHSA-N 449.045 4.374 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 791247148 WCFVPVCWYSPAND-ZWKOTPCHSA-N 430.495 4.457 10 20 IICD CC1CCN(c2ccc(CNC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 796272263 WGILGCDLVIHMDT-UHFFFAOYSA-N 449.016 4.447 10 20 IICD Cc1nc(-c2cccc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)c2)oc1C 797741036 YKGUAKVZAFJVTD-UHFFFAOYSA-N 429.860 4.436 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1c(C)noc1C 802527952 HGGFZOLDVWAWBD-UHFFFAOYSA-N 434.544 4.240 10 20 IICD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 802551176 PHLRVHDEIADRQY-UHFFFAOYSA-N 442.563 4.177 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@H]1c1cc[nH]n1 804277906 JSBDMSWHRCTBKR-MUBYSKIDSA-N 446.623 4.206 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc2c(Br)cccc2s1 806741500 VIUYSXUFTWPKRV-UHFFFAOYSA-N 447.358 4.217 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807094250 UFILHUFNGNDIPT-AVRDEDQJSA-N 435.593 4.400 10 20 IICD CC(C)CCOc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1 814285233 GBZNVTYQTBGPJV-SILNSSARSA-N 434.627 4.035 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(N(CC)CCC)nc1 819519088 MYUXSXKUNOUKOT-UHFFFAOYSA-N 440.588 4.320 10 20 IICD Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCc3ccc(O)c(O)c3)cc12 917356498 WGVMQGBDDSXGIL-UHFFFAOYSA-N 427.913 4.433 10 20 IICD COc1ccc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)cc1 918202397 ZPUYNGAVVHTUKB-XVTZWQNCSA-N 441.547 4.398 10 20 IICD Cc1ccccc1C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918214213 RPBYPSDCJFUVES-KRWDZBQOSA-N 435.490 4.281 10 20 IICD COc1ccccc1CN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1 918219004 BJVVMKWRCJWUQD-HDICACEKSA-N 441.547 4.322 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2C)no1 918633783 OJYIFDCEDUGZRZ-CALCHBBNSA-N 440.519 4.073 10 20 IICD CCN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 919912050 XKTMFMPDGAMMSL-DEOSSOPVSA-N 444.579 4.273 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCc1cccnc1 1318363356 CRGQVEVROJCRCE-LGMDPLHJSA-N 432.592 4.301 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C2CCCCC2)c1 1327508822 BMNCKGOTGNWRBN-UHFFFAOYSA-N 436.478 4.174 10 20 IICD Cc1cc(-c2nnc(-c3ccc(S(=O)(=O)NC(C)(C)C)o3)o2)c(C)n1-c1ccccc1 1345625185 YROSJRRYQWOXQK-UHFFFAOYSA-N 440.525 4.481 10 20 IICD Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718086 BZLBWVYMLPIPJQ-QDMKHBRRSA-N 449.334 4.279 10 20 IICD CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 17213351 RZAHFIBCBTVFCM-UHFFFAOYSA-N 443.496 4.067 10 20 IICD Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 108289415 KRKTWVOOWDNZDY-GASCZTMLSA-N 443.544 4.323 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N3CCCCCC3)nc2)cc1 303133352 OUCKEDVXMNLGEI-XMMPIXPASA-N 436.600 4.349 10 20 IICD COc1ccc(N2CCCN(C(=O)COc3ccccc3OCc3ccccc3)CC2)cc1 303310820 QWCZFDZDYZITJI-UHFFFAOYSA-N 446.547 4.392 10 20 IICD COc1cccc(OC)c1OC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 472218039 BDVPWFGPURSBDP-UHFFFAOYSA-N 437.540 4.257 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1 726563223 WFVPZUNKYSTETG-NHCUHLMSSA-N 429.358 4.346 10 20 IICD CCOc1c(OC)cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726608160 PPGZFIRALYPBFP-UHFFFAOYSA-N 436.499 4.463 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1 726855530 MXRSNSUWHMREAT-UHFFFAOYSA-N 433.499 4.082 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)SC2=S)cn1 726986388 PKQQTDMLYJUHTE-ZSOIEALJSA-N 437.340 4.267 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)cc3)SC2=S)cn1 726986494 QOCJJRDPKFVQKD-ZSOIEALJSA-N 426.441 4.437 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)cc1 729328851 WMXLGWYGRAVHRN-UHFFFAOYSA-N 443.547 4.324 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 729593113 HMDPPCSSBFQFNH-HXUWFJFHSA-N 441.881 4.190 10 20 IICD COc1ccc(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(OC)c1OC 731014633 CWMJLFFGOPFUDN-UHFFFAOYSA-N 426.557 4.198 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733851316 UTBKUWYFXHNXCI-GOSISDBHSA-N 435.446 4.138 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H]1CN(c2ccccc2)C(=O)O1 735795036 DUPBFWXFFDOAIK-GOSISDBHSA-N 437.521 4.459 10 20 IICD Oc1cc2c(cc1CNC1(c3ccc(OCc4ccccc4)cc3)CCOCC1)OCO2 742373369 WPGSZEOSSIQAGC-UHFFFAOYSA-N 433.504 4.495 10 20 IICD CCc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)o2)cc1 742565796 GOGFNMPXIDKYHP-OAQYLSRUSA-N 431.536 4.141 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(OCc2noc(C3CC3)n2)cc1 743159615 WDIOULTUZVAQMA-UHFFFAOYSA-N 434.496 4.432 10 20 IICD COc1ccc(O[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 743687252 PCZBEVCMYKWTFY-INIZCTEOSA-N 449.498 4.032 10 20 IICD Cc1cccn2cc(CCNC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)nc12 746774984 AXODBMFSEXRLFQ-UHFFFAOYSA-N 431.540 4.256 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 746833909 KKOOEYCJVFQICR-UHFFFAOYSA-N 431.467 4.401 10 20 IICD C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1ccc(OCC(=O)NC2CC2)cc1 756432350 QOFVKICLMBFHLU-UONOGXRCSA-N 433.346 4.224 10 20 IICD COc1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1O 761213982 JZJWWAJGYLLUMV-HXUWFJFHSA-N 427.932 4.430 10 20 IICD C[C@@H](c1ccc(OCC2CC2)c(F)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761951030 UJDHNMVZYCCXMU-ZDUSSCGKSA-N 432.879 4.499 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 765284473 BTTICDWTBQHBSP-ROUUACIJSA-N 433.593 4.478 10 20 IICD Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cccc(Br)c1O 765732008 ONTFYOPAGIFSQK-UHFFFAOYSA-N 448.342 4.377 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1 765853650 CKIRGMPZUVAPOP-VXGBXAGGSA-N 425.298 4.294 10 20 IICD FC(F)Oc1ccc(N2CCC(Nc3nc(C(F)(F)F)nc4[nH]cnc34)CC2)cc1 767213151 YETXZFDOLVTFDB-UHFFFAOYSA-N 428.365 4.054 10 20 IICD C[C@H](c1ccco1)N(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1 769722319 MBLQUBOPFBHHKZ-CYBMUJFWSA-N 432.523 4.213 10 20 IICD COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 772168659 CXAZMKVCXPUTKU-OAQYLSRUSA-N 426.517 4.207 10 20 IICD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 772475357 ROMRRDKRNBMFGA-UHFFFAOYSA-N 445.567 4.077 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC(Oc3cccc(Br)c3)CC2)c1O 775063666 XSSVLMCZGAVRKI-UHFFFAOYSA-N 437.290 4.115 10 20 IICD Cc1cc(Br)cn2c(CNCc3cccc(Br)c3O)cnc12 775150692 ACIOJWAENISICE-UHFFFAOYSA-N 425.124 4.163 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cccc3c2CCCC3)nc1-c1ccccc1 775209074 RDSCKBNTAJGEEA-UHFFFAOYSA-N 427.551 4.448 10 20 IICD CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C 780495929 FOZGNFOQLQDADW-NBGIEHNGSA-N 447.620 4.200 10 20 IICD Cn1nc(C(F)(F)F)c(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl 782153611 AYZGZNUDILFYPE-NSHDSACASA-N 438.828 4.452 10 20 IICD COC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 783483226 PKPVPDNIJBWNOQ-INIZCTEOSA-N 432.480 4.180 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(N4CCOC4=O)c3)ccc21 794099580 HEYUHYANCRPWSC-UHFFFAOYSA-N 425.460 4.253 10 20 IICD O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(OCC(F)(F)F)cc1 797736678 AEGKSUBMJFDTKW-UHFFFAOYSA-N 432.782 4.105 10 20 IICD COc1cccc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)c1OCc1ccccc1F 800865928 XMZXTHVGVPWNIY-JOCHJYFZSA-N 439.483 4.177 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 804353714 PAZXSNJHXCGXEE-UHFFFAOYSA-N 426.538 4.208 10 20 IICD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)[C@H]2C1 809194962 GUDHAIFPHVENOS-OFAXGOBFSA-N 427.976 4.053 10 20 IICD Cc1cc(F)ccc1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 813590191 JOULNDGSFGCHNU-UHFFFAOYSA-N 443.538 4.324 10 20 IICD CN(C)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 814178046 ZYPTVRCNWAHMHK-QGZVFWFLSA-N 435.259 4.496 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2C)c1 826541995 HWIYVNHWBAKXOH-OAHLLOKOSA-N 430.570 4.093 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c([N+](=O)[O-])c1 915221638 COTMAZMFSNVSGA-UHFFFAOYSA-N 425.875 4.181 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C1CCCC1)C1CC1 917191934 VJVCGHAQNSSLDD-UHFFFAOYSA-N 427.570 4.367 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1cccnc1)C1CC1 918257974 PPBJAQPBTFQSOC-PDGQHHTCSA-N 443.619 4.316 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 918624882 IYYGYXRSZHZQBM-UHFFFAOYSA-N 429.977 4.175 10 20 IICD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 919823650 UPZADFOPQSDKJT-IBGZPJMESA-N 441.597 4.492 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCC(N)=O 1115821754 ZTPHRZSPWABCKW-YBFXNURJSA-N 442.562 4.089 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(Cc2ccc(Cl)cc2)n1 1115885820 DVWHGNXALIJWOC-UHFFFAOYSA-N 427.957 4.154 10 20 IICD Cc1csc([C@H](N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)n1 1342338942 VAYYDZQQJZQLTF-LHSJRXKWSA-N 445.544 4.295 10 20 IICD CC(=O)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1791541305 VHTMHKDSMFPVPV-ZDUSSCGKSA-N 444.915 4.114 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cncc(Br)c1 103299470 CSPBLLKKXOBOGC-UHFFFAOYSA-N 430.736 4.422 10 20 IICD Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)NCc2c(C)c3ccccc3n2C)s1 673315078 QSNAYOQYSWOCBM-UHFFFAOYSA-N 435.549 4.295 10 20 IICD Cc1ccc(CN(Cc2nc3ccccc3c(=O)n2C)c2ccc3c(c2)OCCO3)s1 727150499 RZUKFIKDDYUMDX-UHFFFAOYSA-N 433.533 4.281 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OC)cc3Br)CC2)cc1 727225283 XNVZWZXWCYTZCI-UHFFFAOYSA-N 434.334 4.257 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)s3)sc2C)s1 727249493 YCBPIJHSHPMHQW-UHFFFAOYSA-N 448.016 4.332 10 20 IICD O=[N+]([O-])c1ccc(N2CCN(Cc3c(O)ccc4ccncc34)CC2)c(C(F)(F)F)c1 727429085 SHMOPVMCYRAMEZ-UHFFFAOYSA-N 432.402 4.190 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)CC2)cc1 727604925 YMAGLUONGKVNIX-JOCHJYFZSA-N 447.938 4.240 10 20 IICD COc1ccc(CCNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1OC 727734201 KGINUMVBFBWNCK-UHFFFAOYSA-N 426.488 4.232 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1 731131954 PMGOPBOYWVKCEH-UHFFFAOYSA-N 437.437 4.336 10 20 IICD O=C(COc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1)N1CCCC1 742379079 LUFPBPIWEPTTSX-UHFFFAOYSA-N 438.528 4.198 10 20 IICD C[C@@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 742993335 RYHGQOMEWMUMKC-OAHLLOKOSA-N 439.503 4.147 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N([C@@H]2CCc3ccccc3C2)C1=O 743284355 LLFIHTFZZRZRMV-KKJJZKEWSA-N 441.574 4.471 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)cc1 743286016 ZJEAZLSIMXXFOP-BJLUOBIUSA-N 425.575 4.471 10 20 IICD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 743338825 JKUZTFBPIKQHMQ-GOSISDBHSA-N 428.504 4.337 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 743808334 VMHHDGDMZWGXFR-UHFFFAOYSA-N 437.334 4.327 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 743905796 IQGZBZZVAFOENX-INIZCTEOSA-N 435.480 4.021 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 745891568 DFLBITHXMMEEPL-CYBMUJFWSA-N 425.298 4.293 10 20 IICD CN1CCCc2cc(CNC(=O)CC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)ccc21 748299733 HABQOELXKAEFTR-VCSGRIEYSA-N 427.589 4.253 10 20 IICD COc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 751136309 HMJLGGJIBBFYLE-CQSZACIVSA-N 446.352 4.078 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2nccn2CCCc2ccccc2)C2CC2)cc1 751809218 DRGMZLWYGUMTOY-UHFFFAOYSA-N 431.584 4.456 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)NCCCSc2nccs2)c1C 753212397 RTIHBJCMWFJWLU-UHFFFAOYSA-N 444.376 4.305 10 20 IICD C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)c(F)cc1O 756512423 XZROZPYOWLHZHF-LIRRHRJNSA-N 435.337 4.178 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1Cl 758493784 OMVMUUNXPPJGCK-UHFFFAOYSA-N 428.838 4.134 10 20 IICD COc1cc(N2CCN([C@@H](C)c3ccccc3Br)CC2)cc(OC)c1OC 759873632 XICOEODYVMGXGV-HNNXBMFYSA-N 435.362 4.358 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1I 765118594 MWOLYDLLHAKKSF-AWEZNQCLSA-N 440.300 4.118 10 20 IICD C[C@@H](CCc1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765278274 XWMMDJLJKJFDFM-IBGZPJMESA-N 437.538 4.192 10 20 IICD COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773761292 AIXBNQKWAJTCJB-AWEZNQCLSA-N 441.505 4.131 10 20 IICD N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(Cl)c3ccccc3c2O)N1)OCCCO4 774547537 OAQOLRRJPODAPF-FQEVSTJZSA-N 435.871 4.207 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccccc3OCc3ccccc3)nc12 775205772 KJUDAZURHUZJCU-QGZVFWFLSA-N 446.507 4.041 10 20 IICD COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1 775371198 UZQMKIMEBNFASN-RDTXWAMCSA-N 425.510 4.084 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775395108 RZIQNIXEXXZIDR-IRFCIJBXSA-N 425.602 4.428 10 20 IICD CCCC(=O)NC[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 775668118 RGMOGYRFKFXHOO-GFCCVEGCSA-N 448.199 4.046 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 775668120 RGMOGYRFKFXHOO-LBPRGKRZSA-N 448.199 4.046 10 20 IICD COc1cc(NC(=O)CN(C)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 781960142 FIAWWNWUNNQRHS-UHFFFAOYSA-N 436.508 4.366 10 20 IICD CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 790044857 GDFAOMXKZVMDRS-UHFFFAOYSA-N 437.370 4.118 10 20 IICD COCCCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 792040395 RXFYKGXEQIWNHU-QHCPKHFHSA-N 443.563 4.144 10 20 IICD CSc1ccccc1[C@H](C)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 799339593 RJPPDPQANWLTOB-KSZLIROESA-N 445.604 4.128 10 20 IICD COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2cccc(OC)c2)cc1 799928766 ULZSEHXLHFGBGB-UHFFFAOYSA-N 441.494 4.467 10 20 IICD CC(C)c1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 800637000 SAWMWCLXDLCIJN-CQSZACIVSA-N 434.993 4.411 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc1 802297940 HBZYPLWUAJHQPQ-VQTJNVASSA-N 437.588 4.365 10 20 IICD Cc1[nH]c2ccc(CNC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2c1C 803328840 VXWLQDKJQPWPQM-UHFFFAOYSA-N 433.552 4.468 10 20 IICD COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2=O)cc1O 804188873 SKGPKZAYNNKASO-QKKBWIMNSA-N 443.931 4.084 10 20 IICD CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cc1F 805024961 LXRJIXIFAXVIAL-QFIPXVFZSA-N 429.511 4.085 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(OC)c1 914084151 VHCATKKGRKCKNI-ATVHPVEESA-N 448.591 4.385 10 20 IICD CCC[C@H](C)N(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 915184058 MBZAETJPNJJBQZ-XBUHWIKASA-N 441.416 4.297 10 20 IICD Cc1cc(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 915622550 RFOPVMUMPJYYON-HSZRJFAPSA-N 429.992 4.050 10 20 IICD CCOc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916025971 SYIWFNFDLIEOFA-UHFFFAOYSA-N 439.503 4.427 10 20 IICD CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 916678033 CIVIPNFITCVNNE-IAGOWNOFSA-N 442.535 4.356 10 20 IICD C[C@H](NC(=O)N(C)CCCOc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920871655 MUZVZJWFJUNDJV-SFHVURJKSA-N 431.964 4.348 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCNC(=O)c2cccc(O)c2)c1 1319840765 RROPSMBUQZSJMY-UHFFFAOYSA-N 425.916 4.003 10 20 IICD C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)c1ccccc1 1788428924 HXAGCSOHLUSCDV-QGZVFWFLSA-N 445.519 4.434 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 206857180 BUKQPDITDZNQID-XMHGGMMESA-N 427.547 4.420 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 302980371 CXCLFFYOWJHVKC-FGZHOGPDSA-N 443.385 4.078 10 20 IICD O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 303214450 SMKLSZPNXGLLNY-UHFFFAOYSA-N 436.474 4.043 10 20 IICD Cc1nc(SCC(=O)N2CCOc3cc(N(C)C)ccc32)c2c(C)c(C)sc2n1 525730334 INLXQSHUDFUBHG-UHFFFAOYSA-N 428.583 4.200 10 20 IICD COc1ccc(N2CCC(NC(=O)c3nccnc3-c3nc4ccccc4s3)CC2)cc1 726560808 PYLGSNRHDUUIQZ-UHFFFAOYSA-N 445.548 4.161 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)CC2)cc1 726561796 RYUGZZDFCIUFKH-NRFANRHFSA-N 448.350 4.280 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H](c1ccccc1)[C@H]1CCCO1 726708639 FKIFGJVEKISZPZ-FGZHOGPDSA-N 445.510 4.476 10 20 IICD O=C(Nc1cc(C(F)(F)F)ccc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O 728138631 UFBJAJMYPJYLQX-UHFFFAOYSA-N 436.361 4.311 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C3CCCCC3)cc2)CC1 731015445 XPBXVBLSNIYOND-HSZRJFAPSA-N 434.646 4.311 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C 734405533 PMMHPDSGNANCPB-KRWDZBQOSA-N 434.627 4.042 10 20 IICD CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(NC(=O)/C=C\c2cncc(F)c2)cc1 735444502 XZYMBGMILQQPTL-INWPEIIHSA-N 434.446 4.473 10 20 IICD O=C(c1csc(Cc2ccc(F)cc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735516719 XNRKQRLGBAKZHV-LJQANCHMSA-N 426.513 4.400 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 735569301 AJZWVBIWETXBFC-UHFFFAOYSA-N 428.964 4.441 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 737118020 XKAPIXYQILNZLF-UHFFFAOYSA-N 427.854 4.412 10 20 IICD COc1cccc(Oc2ccc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)cn2)c1 740905408 ISBYZIVXKCVJKB-UHFFFAOYSA-N 430.508 4.258 10 20 IICD Cc1cccc(Oc2ccccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 741097330 OHSQOUDFDBWZDF-UHFFFAOYSA-N 427.504 4.418 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1 741407922 SLXHXDFIMNKRNG-UHFFFAOYSA-N 440.569 4.008 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 742041269 LPFTYONXZAUVLS-QFIPXVFZSA-N 445.604 4.051 10 20 IICD CC(C)CCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 745691160 IDDBOCRJKYYARQ-FQEVSTJZSA-N 438.572 4.135 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 745904078 LEXSCHGWAYJHAR-AVRDEDQJSA-N 445.510 4.348 10 20 IICD Cc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)n1-c1cccc(C(C)C)c1 749216697 SQFDLZGJYQXRNA-UHFFFAOYSA-N 425.554 4.258 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cc(Cl)ccc1F 751930050 FSZBQHMWQDOZPY-NSHDSACASA-N 433.892 4.293 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H](C1CCCC1)C(F)(F)F)c2[N+](=O)[O-] 752473844 NXKGDGOHRIWWKI-FQEVSTJZSA-N 446.381 4.221 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1F 753737841 FCCSSHNGIVHDPB-UHFFFAOYSA-N 430.483 4.136 10 20 IICD COc1ccc(CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(OC)c1 753965906 ZDJIICVERLVNHU-HDICACEKSA-N 444.547 4.096 10 20 IICD C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1O 756688603 PBMKMLSZFOWISH-AWEZNQCLSA-N 443.396 4.451 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC=C(C(F)(F)F)CC1 757602804 HGABLWSWBPJAFY-KAMYIIQDSA-N 446.541 4.451 10 20 IICD CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 760167820 LEYODRPBLPAQCU-PMPSAXMXSA-N 432.458 4.214 10 20 IICD Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 760811103 XBMCORUNOJLRCE-UHFFFAOYSA-N 434.515 4.479 10 20 IICD COCCn1cc2c(n1)[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1O)CCC2 760887971 PFPFHSXZOCXWHF-BZNIZROVSA-N 428.758 4.379 10 20 IICD C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O 761094891 ZOLQQKJECRSIFJ-NRFANRHFSA-N 428.330 4.017 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ncc(Br)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 761884824 XHNYKBWAMNPYBG-VXGBXAGGSA-N 439.285 4.117 10 20 IICD C[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1Cl 766217422 ZZDSPEQMKDFQRS-KRWDZBQOSA-N 428.939 4.395 10 20 IICD Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)n1 767675929 PISFEVKPNJFUSE-HNNXBMFYSA-N 448.541 4.474 10 20 IICD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCC(O)CC2)c(F)c1 768094839 CVGKPRQBISRZNV-KRWDZBQOSA-N 433.549 4.356 10 20 IICD CCCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 769208588 KNNKSBMWESYJMJ-UHFFFAOYSA-N 439.575 4.179 10 20 IICD Cc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1N(C)C(=O)/C=C/c1cncc(F)c1 769731317 RDHKSKNAGJRZOG-XVYDYJIPSA-N 448.473 4.416 10 20 IICD CCC[C@@]1(COC)CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 774691895 FMOBUQFAWATANK-NRFANRHFSA-N 443.510 4.033 10 20 IICD C[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(N2CCOCC2)cc1 776010154 ZTRRZFCLUXPNRG-DJJJIMSYSA-N 443.416 4.465 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 779332985 RIUIXIJYYAURGL-QRQCRPRQSA-N 449.954 4.016 10 20 IICD COc1ccc(CCN(Cc2ccsc2)C(=O)/C=C\c2ccc(O)c(O)c2)cc1OC 779527225 DGPHMVFUZLKJOV-YVMONPNESA-N 439.533 4.461 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)c2)CC1 783297359 GIFAZGBOAGYUDZ-SFHVURJKSA-N 442.991 4.018 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(CSC)c1 785192011 IZOZHAYQYCNMKN-UHFFFAOYSA-N 437.359 4.005 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 789369740 KKIWNKMLDSNWMB-LNLFQRSKSA-N 426.586 4.100 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(N(C)C(C)C)nc3)SC2=S)c1 790107726 JOWZXIINJHTYGY-ZDLGFXPLSA-N 429.567 4.349 10 20 IICD CN(c1ccc(CNC(=O)N2CCSC[C@H]2c2cnn(C)c2)cc1)C1CCCCC1 790263356 PZWHJTBNJAYXTF-QFIPXVFZSA-N 427.618 4.189 10 20 IICD CC(C)Cc1ccccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 790488217 NDRJZQQWGWGLKN-UHFFFAOYSA-N 447.558 4.071 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3OC)C2=O)cc1 792569016 QYRAPICLHZUICV-RQZCQDPDSA-N 449.937 4.306 10 20 IICD CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O 806157507 GNFJEBXQBBQIQE-INIZCTEOSA-N 433.313 4.122 10 20 IICD CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 807002780 PPUUETMZGRZABK-GOSISDBHSA-N 444.535 4.094 10 20 IICD COc1cc(OC)cc(Oc2cccc(CNCc3ccc([N+](=O)[O-])c(OC)c3O)c2)c1 809689859 WYXJDBPIRZIHFB-UHFFFAOYSA-N 440.452 4.408 10 20 IICD C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 823801537 ILKWQDBYLBAZNE-ZDUSSCGKSA-N 432.407 4.343 10 20 IICD Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C 913193338 IFIVRXMCPFTGGO-UHFFFAOYSA-N 439.537 4.460 10 20 IICD CCN(CC)Cc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 916400515 CIPZJDXZQZHPNF-UHFFFAOYSA-N 426.630 4.081 10 20 IICD Cc1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C2CC2)o1 916632459 VMJIZFLSKIJWKQ-UHFFFAOYSA-N 437.462 4.318 10 20 IICD O=C(NCCc1ccc(N2CCCCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916634981 LLAVXKLPUVXAKO-DEOSSOPVSA-N 437.584 4.316 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 918126509 FOFXKNFNACQGQC-UHFFFAOYSA-N 447.377 4.123 10 20 IICD COc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 1117110848 XZFXEAHVLHMYNI-UHFFFAOYSA-N 429.586 4.082 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(C(C)(C)C)n3)c2C)cc1 1317765854 CEDFGHMJDDKEMR-UHFFFAOYSA-N 426.542 4.271 10 20 IICD CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(Br)c1OC 22347761 ZJLKGABDZQVSGC-PTNGSMBKSA-N 425.348 4.313 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1NS(C)(=O)=O 60157410 JHFWDMVRVFYMIO-UHFFFAOYSA-N 429.586 4.065 10 20 IICD Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCC1 108837109 HLLVXGRXCNTUJS-UHFFFAOYSA-N 441.597 4.412 10 20 IICD CCOc1cccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)c1O 236991531 LHUDNUWKZNSTBX-UHFFFAOYSA-N 431.580 4.403 10 20 IICD Cc1cc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)ccc1NC(=O)C1=S=CC=C1 533906718 VZRRTJSTHKEHBH-UHFFFAOYSA-N 436.924 4.303 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(c2ccccc2)CCOCC1 726567357 ICLGBMLHNOYLFK-UHFFFAOYSA-N 430.495 4.121 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 727168875 ZCKSHALKSBPFLX-SFHVURJKSA-N 446.494 4.285 10 20 IICD COc1cc(Br)cc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1O 727468889 NCSWSNPQLYBXKS-UHFFFAOYSA-N 428.710 4.268 10 20 IICD CN(CCCNC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 728448831 NLEOUQMRRBHGRO-UHFFFAOYSA-N 444.560 4.300 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)c2C)cc1 728915230 NGOGJBNTQQNIRG-HXUWFJFHSA-N 447.583 4.093 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c5c(cccc35)CC4)cc2)CC1 731131070 DGSIAXCJNRSGQX-UHFFFAOYSA-N 427.548 4.430 10 20 IICD CCN1CCN(C(=O)CC2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)CC1 731209847 ZFNXXMOWTHSWSW-UHFFFAOYSA-N 435.568 4.058 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(-c2ccc(Br)s2)no1 734058564 RPMWSUHLYFDXJP-UHFFFAOYSA-N 449.374 4.029 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 734406086 OFBYBGCVVBDLCG-HXUWFJFHSA-N 434.367 4.289 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 734470401 CFPPBFCKFLQDMG-CQSZACIVSA-N 438.597 4.145 10 20 IICD Cc1cc(C(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccco1 741735101 VVRUACKLUHZOBI-OAQYLSRUSA-N 435.568 4.286 10 20 IICD CSc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742755045 UVVCUTOCZRKBRP-FQEVSTJZSA-N 429.586 4.470 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 743807241 FICWQZKVCWGOQD-UHFFFAOYSA-N 434.290 4.300 10 20 IICD Cc1cc(C(=O)COC(=O)Cc2ccn(C(C)C)n2)c(C)n1-c1ccc(OC(F)F)cc1 745322639 CDYYSXSSTGUTLK-UHFFFAOYSA-N 445.466 4.442 10 20 IICD C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1cccc(F)c1 746313769 NFTJUXFTTUVSFQ-CRAIPNDOSA-N 434.458 4.421 10 20 IICD CCN(Cc1ccccc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 748714764 LTJPDQMFUFTCJO-UHFFFAOYSA-N 429.564 4.480 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 756693872 SIZQUUNDKSLRAA-CABCVRRESA-N 431.499 4.193 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 759709734 YHUMMZMCIUWWRS-OAQYLSRUSA-N 432.528 4.164 10 20 IICD CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 762567629 AIDCOTLVVBLOAC-CABCVRRESA-N 440.612 4.001 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c(C)nn(CC(F)(F)F)c1C 764450521 MYPDAQNKELVRLI-UHFFFAOYSA-N 448.283 4.122 10 20 IICD COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OCC(=O)N(C)C 765381898 KYTGOQPJENUFRN-GOSISDBHSA-N 443.563 4.142 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 765677050 DNOSCWONFFTGIH-AZGAKELHSA-N 432.612 4.483 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)ccc1-c1ccccc1 765927548 SSLRJPMXMWUXEW-UHFFFAOYSA-N 439.309 4.385 10 20 IICD CC(C)N(Cc1cccc(F)c1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769720645 SQTQPKWPRNQWCR-UHFFFAOYSA-N 448.541 4.444 10 20 IICD CC(C)(C)c1cnc(SCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)s1 769864658 DZNXONRLZAZWKQ-HNNXBMFYSA-N 440.587 4.016 10 20 IICD Cc1ccc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 771894247 XIHNCSYCVYWLTD-UHFFFAOYSA-N 431.374 4.185 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1)c1ccc(N(C)C)cc1 773854699 WTVUORDWVWQLAJ-SFHVURJKSA-N 447.583 4.111 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)n1 773858078 OISUWLUGJPJLIH-HNNXBMFYSA-N 440.594 4.485 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 775188200 DFEFYOBKPISVDG-XMMPIXPASA-N 447.966 4.462 10 20 IICD O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N(Cc1ccco1)Cc1ccccc1O 775482036 HMDASXYXTJVSQV-UHFFFAOYSA-N 438.408 4.097 10 20 IICD CSc1ccc(C)c(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 776043658 YURKVPPFIUIKME-UHFFFAOYSA-N 449.523 4.042 10 20 IICD C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 777633266 OPZBVNFRQCDIPX-GJZGRUSLSA-N 428.492 4.069 10 20 IICD C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1 782895713 DOXJKZWBXVPBGL-LJQANCHMSA-N 446.551 4.498 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cc(Br)ccc2F)C2CCCCC2)cc1 784061906 GSDJYBVVYXGXHT-UHFFFAOYSA-N 434.309 4.475 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1cccc2cc[nH]c12 786111040 IMQHNNQZPZNEAY-UHFFFAOYSA-N 432.446 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 789983428 UKDVIUIDWAMTEB-UHFFFAOYSA-N 439.394 4.224 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 801545512 QSHGSDXRXQVUMS-KRWDZBQOSA-N 445.357 4.337 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 806880173 OZHIZNOJLXUEPX-UHFFFAOYSA-N 425.282 4.077 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 808355366 YECLZXHZVGCINW-FQEVSTJZSA-N 444.579 4.429 10 20 IICD O=C(NCc1cccc(Br)c1O)NC[C@H]1CCCCN(Cc2ccccc2)C1 811971169 BWPOIQHFNQJBLO-GOSISDBHSA-N 446.389 4.256 10 20 IICD Cn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OC(F)(F)O4)C2=O)c(C(F)F)n1 812220113 ZWYHQBSIADZTLA-WCIBSUBMSA-N 431.392 4.085 10 20 IICD CN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 814178045 ZYPTVRCNWAHMHK-KRWDZBQOSA-N 435.259 4.496 10 20 IICD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 915316409 WHHPXLLAPHYQGJ-UHFFFAOYSA-N 444.601 4.029 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 916745241 FRAIHZRMADYVCD-XMMPIXPASA-N 433.596 4.117 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1cccc(Br)c1 917239224 SGAOOMGUEDQULC-FPLPWBNLSA-N 442.313 4.029 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc2)C1 918118290 XZYYUJRQKZURBO-KNQAVFIVSA-N 440.975 4.088 10 20 IICD CCCOc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918205921 XCEJVVQBOZIPQF-ROUUACIJSA-N 429.536 4.228 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1nc2cc(Cl)ccc2s1 920422218 GGADQALGYYBAFJ-UHFFFAOYSA-N 448.951 4.049 10 20 IICD C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(N2CCOCC2)cc1 920888562 QAJYDUVLDAPGCK-IBGZPJMESA-N 426.520 4.353 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCCSC3)C2)cc1 1847021998 OQRHIJHNUCKWMN-OAQYLSRUSA-N 437.609 4.054 10 20 IICD Cc1cc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)n1-c1cccc(F)c1 21983811 BLTPFFRUPXEYJV-UHFFFAOYSA-N 441.466 4.012 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3cccc(C)c3)CC2)cc1 255946469 ZXJIWGWPBLKCNS-UHFFFAOYSA-N 429.520 4.218 10 20 IICD Cc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c(C)n1-c1ccc(C#N)cc1 303201576 OJXUCCNNPFFKMR-UHFFFAOYSA-N 428.414 4.232 10 20 IICD CSc1ccsc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 730639425 WDQVYIIJUJQSJN-UHFFFAOYSA-N 437.498 4.041 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1coc3ccccc13)c2[N+](=O)[O-] 733944488 DNTYKISJGQUBLL-UHFFFAOYSA-N 426.384 4.046 10 20 IICD COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 734067190 WWCFFEALRROOPJ-NRFANRHFSA-N 437.565 4.061 10 20 IICD CN1CCCc2cc(CNC(=O)c3nn(-c4ccc(F)cc4)cc3Br)ccc21 735435550 XRKSYZSQFFYWGS-UHFFFAOYSA-N 443.320 4.086 10 20 IICD CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 741703306 XTGHAZFQCMTOFO-QHCPKHFHSA-N 448.954 4.316 10 20 IICD CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nn1 745518816 NNACYASZSIQYCK-UHFFFAOYSA-N 448.483 4.104 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 745904079 LEXSCHGWAYJHAR-GCJKJVERSA-N 445.510 4.348 10 20 IICD COc1ccc(N(CC(=O)Nc2ccccc2I)CC(C)C)cc1 746170776 GFDMHPWIRHIEFR-UHFFFAOYSA-N 438.309 4.401 10 20 IICD COc1ccc(C[C@H](CO)CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1O 746225740 ZICJJOVFIIXGKD-SFHVURJKSA-N 442.943 4.043 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Cl)cc(Br)c3)c2)CC1 746851635 YSUDDNTXDMOVPJ-UHFFFAOYSA-N 436.737 4.057 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@H]3c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 748825806 ZDRICPWWMXKSKP-JKSBSHDWSA-N 445.966 4.156 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CC[C@H]([C@@H]3CCOC3)C2)sc(C)c1-c1ccccc1 750261367 KYDAXFUZWUKARG-RBUKOAKNSA-N 442.581 4.197 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3nccn3CCc3ccccc3)cc2)CC1 751608919 IBSJITLARYPEJH-UHFFFAOYSA-N 431.584 4.362 10 20 IICD C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 752806449 ZZKZGRBZFWGJPX-DLBZAZTESA-N 440.540 4.064 10 20 IICD C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(Cl)c1O 756544170 SUVUGPJCQDHALM-ONGXEEELSA-N 436.680 4.177 10 20 IICD CCSc1cccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 759984752 ZODUOSHKDHCWKB-UHFFFAOYSA-N 431.558 4.179 10 20 IICD COc1ccccc1[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccn1 760862137 IVRXIMBEGBEFBR-NLFFAJNJSA-N 447.535 4.276 10 20 IICD Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ccc(N(C)C)cc2)CC1 760867626 FMARGGHXQDBIRJ-UHFFFAOYSA-N 430.390 4.218 10 20 IICD C[C@@H](c1ccccc1)N1CC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O 761635420 KXWFKFPKZVFBTR-QFBILLFUSA-N 429.467 4.282 10 20 IICD C[C@H](NC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)cc1 765335497 WTGYVXMYHNEVKA-SFHVURJKSA-N 427.976 4.132 10 20 IICD Cc1c([C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nnn1-c1ccccc1 766238516 ULOFDNHRJRDELL-WMZOPIPTSA-N 427.499 4.497 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 768384960 INWDZDBTILYJIX-QHCPKHFHSA-N 429.605 4.135 10 20 IICD C[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]1c1ccccc1 769922674 KFMFJIZVDHEFEC-VBKZILBWSA-N 428.535 4.088 10 20 IICD C[C@H](OC(=O)CCCC(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 771123794 CDEIHEGBVXKDFA-LBPRGKRZSA-N 433.382 4.065 10 20 IICD C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(N(C)C)cc1 773154530 RTRPLQZUEGRZMG-NSHDSACASA-N 440.857 4.028 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 779160543 FIOOLNJXRGJEEV-PKOBYXMFSA-N 432.565 4.320 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](OC)c3ccccc3Cl)CC2)cc1 779341312 OOLVZFGKZSFSFC-ZHRRBRCNSA-N 431.964 4.393 10 20 IICD C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 779498264 CPADRRTUHDYDKP-TYZQSYOASA-N 434.467 4.309 10 20 IICD CCOc1ccc(OC)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783486978 RYXFUBWESXWNPC-KRWDZBQOSA-N 433.508 4.409 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3cc(F)ccc3Br)CC2)cc1F 784682052 BQPUENVRTMALEA-UHFFFAOYSA-N 439.300 4.017 10 20 IICD CCc1c(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cnn1C(CC)CC 790594715 RZPKCUHXVOCIIR-UHFFFAOYSA-N 429.584 4.018 10 20 IICD COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCc3ccc(OC)cc3O)s2)cc1 792938422 GZPBEIVSHSVIQM-AWEZNQCLSA-N 427.526 4.402 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1OC 799183175 FASRWVCSPWRZLI-UHFFFAOYSA-N 444.490 4.152 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 799364216 AYGZQCZPVYUIPA-NMMYMHLASA-N 429.630 4.119 10 20 IICD COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(C)c(OC)c1 800628144 UOAYEULPFBBZGA-KRWDZBQOSA-N 433.508 4.327 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)OC 802609830 LYYJXBKOXALNQF-UHFFFAOYSA-N 426.513 4.070 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl 806169982 UEIWMLMINJBSMB-JKSUJKDBSA-N 447.929 4.161 10 20 IICD COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 807056974 MTEYISSVJKPINN-FQEVSTJZSA-N 428.448 4.344 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 807268303 BNWVRHHVHVMPFC-SFHVURJKSA-N 431.602 4.227 10 20 IICD COc1cc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C 808924067 INFVUVSBFFOBNO-UHFFFAOYSA-N 429.948 4.148 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H](C1CC1)C(F)(F)F 809315231 KNFUHCBSZFFCHX-TZIYXEQSSA-N 434.530 4.187 10 20 IICD C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Br)c1O 813779345 OGIONLRTMRGPBO-CYBMUJFWSA-N 444.370 4.037 10 20 IICD CC(C)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 914736628 ZVQORRCNFQXULF-UHFFFAOYSA-N 428.444 4.078 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CC2)cc1 917208666 LIVPWGBVVJXMMQ-QGZVFWFLSA-N 433.955 4.047 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1NC(C)=O 921205692 FAEWLQGPQTVOGY-UHFFFAOYSA-N 443.550 4.067 10 20 IICD Cc1cc(C(=O)NCCc2nc(C(C)C)no2)c(C)n1-c1ccccc1Br 1318349342 KZUGNWQOMJJPKU-UHFFFAOYSA-N 431.334 4.336 10 20 IICD CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1806332943 SYWYXECESRIMPQ-RDGATRHJSA-N 430.552 4.219 10 20 IICD CO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1822454871 PSYGRFXWGPKRTM-GCJKJVERSA-N 449.555 4.158 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(NC(=O)c2ccco2)n1 10962631 HTIVDJJZHBVXMZ-UHFFFAOYSA-N 438.553 4.180 10 20 IICD CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 572682399 CUUXUNKGVASTBB-FQEVSTJZSA-N 446.532 4.080 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)n(C)c2ccccc12 685740752 PRGDTCVUXNUQFF-UHFFFAOYSA-N 429.524 4.051 10 20 IICD CC(=O)N(C)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726699894 VPWMQQHUUJWNEL-UHFFFAOYSA-N 432.471 4.061 10 20 IICD CN(Cc1ccccc1)C[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 726796456 ABVNDVWGGLJYMA-PKTZIBPZSA-N 437.609 4.314 10 20 IICD CCOc1ccc(Br)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 728122420 NPWPQKVQEDTLDF-UHFFFAOYSA-N 448.361 4.348 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(-c3ccccc3Cl)nn2)cc1 728837664 WNFDLILCJOJYFD-UHFFFAOYSA-N 437.853 4.191 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)cc2F)CC1 730193039 BKYXJTKSNJABLX-QGZVFWFLSA-N 433.955 4.013 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1OCc1cccs1 730614192 OBXDIYADVPAEKZ-UHFFFAOYSA-N 438.549 4.209 10 20 IICD Cc1ncsc1CN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 731173773 SYWLNAPCZPAPKY-ZROIWOOFSA-N 437.637 4.153 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1ccc(F)c(Cl)c1 731185455 XLCVOHJALSWOCO-UHFFFAOYSA-N 427.911 4.289 10 20 IICD Cc1nc(CN2CCC(CNC(=O)c3sccc3-n3c(C)ccc3C)CC2)oc1C 732174565 FQEBOPINLVPBBL-UHFFFAOYSA-N 426.586 4.402 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 732250155 XNUDLXKCQSBNAY-RHSMWYFYSA-N 435.927 4.218 10 20 IICD COc1ccc(OCc2nc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cs2)cc1 733325626 OEMRGDRGUZUZQB-GOSISDBHSA-N 439.581 4.418 10 20 IICD CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1F 740800972 LHCWJJBCJPFEBV-UHFFFAOYSA-N 433.549 4.145 10 20 IICD CS(=O)(=O)Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)oc2ccccc12 743431720 ZZNXWPYHQQFDBF-UHFFFAOYSA-N 439.489 4.119 10 20 IICD CN(C)C(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 743924951 BBXUGCPAIVKWBD-UHFFFAOYSA-N 443.507 4.101 10 20 IICD CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 745649200 ZLLYLSDOEMVMQC-OAQYLSRUSA-N 427.564 4.258 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 746362610 XCOCOFPYDUFTJC-KEJUVULBSA-N 431.579 4.245 10 20 IICD COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c1 749009243 CHOWQVNUDFWXSB-UHFFFAOYSA-N 426.466 4.215 10 20 IICD Cc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(C)n1-c1ccc(F)cc1 750757080 UQFNHHZVUADTRP-UHFFFAOYSA-N 444.510 4.313 10 20 IICD COCCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(OC)c(OC)c1 751476304 YPJLMAWPXSDKPW-UHFFFAOYSA-N 437.418 4.426 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C3CC3)CC2)cc1F 753733182 WLDPPDCLQDKEBD-UHFFFAOYSA-N 447.510 4.298 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)cc1F 753739630 IPPXTDKOJWJFOB-UHFFFAOYSA-N 447.510 4.357 10 20 IICD COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F 753861609 SVQOKACOYJFHGN-AWEZNQCLSA-N 425.426 4.002 10 20 IICD C[C@H]1CN(c2ccc(CNCc3ccc(NC(=O)OC(C)(C)C)nc3)cc2F)C[C@@H](C)O1 756104003 YKRUDJMJDMNQKB-CALCHBBNSA-N 444.551 4.471 10 20 IICD COC1CCN(C2(CN[C@@H](C)c3cc(Br)c(F)cc3O)CCCC2)CC1 756551974 LKKNQNHLBWOYPP-AWEZNQCLSA-N 429.374 4.368 10 20 IICD C[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)c(F)cc1O 756636877 XGQUAVZWDZGGEC-CQSZACIVSA-N 437.353 4.101 10 20 IICD CCn1c(/C(Cl)=C\c2cnc(Cl)c(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 760261431 BSPRVTYKIFLQOR-OQLLNIDSSA-N 439.368 4.400 10 20 IICD O=C1CCc2cc(C(=O)CCC(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2N1 768255517 VAILOGQCYLRDIY-UHFFFAOYSA-N 432.476 4.062 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768518758 FDLHYYSXWBTSPM-SFHVURJKSA-N 449.473 4.134 10 20 IICD COc1ccccc1[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)OC(C)C 770343233 AJQLWLRPEONWRK-QHCPKHFHSA-N 443.613 4.214 10 20 IICD C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OCc2cccnc2)cc1 774968691 GIDPZWSMEAHOSI-FQEVSTJZSA-N 432.568 4.036 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(Oc2cccnc2)cc1 777826723 RJIRIYXMEUKLMJ-UHFFFAOYSA-N 426.856 4.048 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1F 780360040 NTQYTUDALAGMMP-UHFFFAOYSA-N 442.535 4.142 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Br)cc1F 783220509 FKOFQBUFGXVKFO-HOCLYGCPSA-N 434.353 4.141 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21)c1ccc(N)cc1 783487883 YTKQOIFXQZISQG-WMZHIEFXSA-N 440.547 4.379 10 20 IICD O=C(NCCc1ccc(F)c(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 786744396 PGSXPLCACIGFFJ-UHFFFAOYSA-N 425.426 4.077 10 20 IICD O=C(NCCCSc1nccs1)c1sc(N2CCOCC2)nc1-c1ccccc1 799630503 JUZDHJMGCYBTOC-UHFFFAOYSA-N 446.623 4.015 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](c4ccnn4C)C3)cc2Cl)C1 801062218 UZDASRUEMXIQED-PKOBYXMFSA-N 429.996 4.399 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(C(=O)Nc4ccccc4)C3)c2C)cc1 801157098 RDMMEEXNZKKTPL-HXUWFJFHSA-N 432.524 4.139 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1OCc1ccccc1 802609627 GDXQUNRRLVAFOU-UHFFFAOYSA-N 433.508 4.134 10 20 IICD COc1cc(C)c(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(C)c1C 806767889 OAPQFKLEHZOXDK-UHFFFAOYSA-N 443.544 4.000 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 808093883 XPHWNIOMFAJWFO-INIZCTEOSA-N 442.339 4.106 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)cc([N+](=O)[O-])c1Br 813684348 OHKSABSXFWQWBK-UHFFFAOYSA-N 438.036 4.439 10 20 IICD NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 915304428 SVLYCRKZMBGKGP-HSZRJFAPSA-N 442.523 4.478 10 20 IICD CN(C)c1nc(CNCc2ccc(N3CCSCC3)cc2)c(Cl)n1-c1ccccc1 917431737 MOPDWJOUQOEUFJ-UHFFFAOYSA-N 442.032 4.435 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(-c2ccccc2)cc1OC 917619295 IYSHXGZGPAOTEM-XDHOZWIPSA-N 443.546 4.437 10 20 IICD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1 917850043 TWTRTLPYCTZIPC-UHFFFAOYSA-N 443.594 4.215 10 20 IICD Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(C)n(-c3ccccc3Br)c1C)C2 918048468 VICGNNUXXLRFNM-QGZVFWFLSA-N 439.357 4.242 10 20 IICD O=C(NCc1ccc(COCc2ccccc2)cc1)NCc1ccc(N2CCOCC2)cc1 919790472 ITJZSHNLFFYRSE-UHFFFAOYSA-N 445.563 4.239 10 20 IICD CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)o2)cc1 919968320 CPODEYCSCDNTCH-UHFFFAOYSA-N 432.520 4.288 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](c1ccccc1)c1cnn(C)c1 1323779626 ZYVSTZYSROZPLL-HXUWFJFHSA-N 443.345 4.209 10 20 IICD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)s1 1845398159 GLHYQAKDDKISKM-UHFFFAOYSA-N 449.576 4.295 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S 16878709 JJSAPMSIUBEJKO-UHFFFAOYSA-N 449.624 4.266 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 69491329 DJZZEVTXQIENJY-GDNBJRDFSA-N 434.520 4.389 10 20 IICD C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 237333966 LDJUPQXGFCAEFL-HNNXBMFYSA-N 439.453 4.188 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 437024768 ZPIBOEJXYFKMRA-UHFFFAOYSA-N 427.589 4.123 10 20 IICD Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NCc2c(C)c3ccccc3n2C)cs1 472243676 RMCXZIZTZXAYGK-HKUYNNGSSA-N 443.592 4.006 10 20 IICD O=C1/C(=C/c2ccc(OCCN3CCCC3)cc2)SC(=S)N1CCc1cccnc1 727864419 VSQJPCGASKFPJV-PGMHBOJBSA-N 439.606 4.000 10 20 IICD COc1ccc2c(c1)CCCN(C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)C2 728597306 NZBLUMTUQGBKJM-QZTJIDSGSA-N 441.547 4.106 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)cc2)CC1 731120848 FNFPSPZVRFXQJU-NRFANRHFSA-N 444.620 4.369 10 20 IICD CCc1cc(=NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc(-c2ccncc2)[nH]1 731662818 VDBGWCGQMREUNM-UHFFFAOYSA-N 425.483 4.205 10 20 IICD CC(C)(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccs1 733943452 UOGJJHBWJGENHP-UHFFFAOYSA-N 434.473 4.139 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 737117768 ROEJPARLKBNZFP-UHFFFAOYSA-N 434.565 4.037 10 20 IICD CS(=O)(=O)c1cccc(OCCN(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 738311654 GVFHYIDBTCBZHR-UHFFFAOYSA-N 445.562 4.008 10 20 IICD CCn1c2ccccc2c2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 741096706 CILQHSFMGHOLOD-UHFFFAOYSA-N 438.531 4.446 10 20 IICD C[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752422 GRFPCIWNZXLYGF-VGSWGCGISA-N 443.563 4.453 10 20 IICD O=C(CCCc1nc2ccccc2[nH]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799640 MALYSRVOQHTAJX-INIZCTEOSA-N 428.483 4.272 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(S(=O)(=O)Cc2ccccc2)c1 743719334 YJPGSXVGQVIUCY-UHFFFAOYSA-N 435.545 4.175 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 743956445 UXMQLKFSPRYSSN-UHFFFAOYSA-N 446.503 4.327 10 20 IICD COc1ccc(N2CCN(Cn3nc(C4CC4)n(-c4ccccc4)c3=S)CC2)cc1F 754011429 GZUABQBMYIANGT-UHFFFAOYSA-N 439.560 4.208 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)ccc2O)cc1 756462669 YIKXYCOTRGJMFC-CQSZACIVSA-N 441.391 4.034 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(Br)cc3O)cc2F)CC1 756554001 LHJDZKKZLUXFJB-HNNXBMFYSA-N 436.369 4.287 10 20 IICD COc1ccc(N(C)CC(=O)NCc2cccc(COCc3ccco3)c2)cc1Cl 757855446 BBUAZRODCHHBHH-UHFFFAOYSA-N 428.916 4.411 10 20 IICD C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 765076433 PJOFSESXDKMXNB-QGZVFWFLSA-N 435.490 4.073 10 20 IICD O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1cccc(Br)c1O 765765485 SNQPFJNWXSUXCA-UHFFFAOYSA-N 440.293 4.081 10 20 IICD COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 767306438 ULNPLZOGJNVSCJ-YVHKJVDXSA-N 445.535 4.225 10 20 IICD CCNC(=O)COc1ccc(CN(Cc2ccccc2O)C2CCCCC2)cc1OC 768134238 QOIWAYBRDMXUTB-UHFFFAOYSA-N 426.557 4.251 10 20 IICD COC(=O)COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 771523309 FDWCKLJJQDMBCP-UHFFFAOYSA-N 444.871 4.425 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)N(C)C)cc1OC 772949929 ZNXBXKBFRGMVNW-HTAPYJJXSA-N 448.007 4.147 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(N(C)C)cc1 773237270 OCRHPHJSSPDXQT-KURKYZTESA-N 428.552 4.066 10 20 IICD COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 773816257 FITNJFSIDPJFNF-IAGOWNOFSA-N 437.500 4.024 10 20 IICD C[C@@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(N2CCOCC2)cc1 775255043 NPIZSQZKUSDBKK-NFBKMPQASA-N 429.564 4.343 10 20 IICD CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Br)ccc1O 775491376 IVXFQYWEICGLJA-UGSOOPFHSA-N 441.391 4.207 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3cccnc3)c3cc4ccccc4o3)cc2)C1 779392877 OOIQBZVHAYPRPJ-ATIYNZHBSA-N 440.547 4.409 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F 779538561 WOBIYXBTBCFTSU-IZKUIKQZSA-N 431.414 4.333 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nn1[C@H](C)C1CC1 784692279 RQDZRNBAIRIYDK-GOSISDBHSA-N 437.588 4.186 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2ccc3ccccc3c2=O)cc1 791129173 LLOILPZEWUHMDI-UHFFFAOYSA-N 441.531 4.310 10 20 IICD COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(O)c1 794379660 UTKKTRDDUQOLRV-ZEQKJWHPSA-N 444.531 4.197 10 20 IICD C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 794842826 SVGLPQJZSNUFLV-AUUYWEPGSA-N 444.881 4.459 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cscc3Br)cc2F)C[C@@H](C)O1 795360171 LNLXAPSPQOIHEB-TXEJJXNPSA-N 427.339 4.193 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(Cc3cccs3)C3CC3)cc2Cl)C1 807956342 MGUVRNQSEQZIFB-INIZCTEOSA-N 446.016 4.445 10 20 IICD CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 808489220 INPAUWNFOSGIIV-SFQUDFHCSA-N 444.443 4.335 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 813035072 IVDHQUSPCQWRFN-IBGZPJMESA-N 445.454 4.101 10 20 IICD C[C@H](NC(=N)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 849069507 OYBWYCASYRJQKM-GOEBONIOSA-N 448.398 4.070 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1C 914764097 KGXQGJDENPQBNJ-UHFFFAOYSA-N 430.552 4.042 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1cccc(Cl)c1Cl 919922825 QWCYSSKXBPDOBK-UHFFFAOYSA-N 438.355 4.050 10 20 IICD CC(C)(C)Oc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 1322872842 VXIFDLXJXUNTKK-UHFFFAOYSA-N 443.563 4.006 10 20 IICD Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1337785416 LYXWPOOAYLQSMV-GHTZIAJQSA-N 447.558 4.294 10 20 IICD Cc1ccccc1NC1=NC(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)S1 16441047 QUUBDKPRLBMHFY-RCCKNPSSSA-N 430.533 4.462 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(SCC(N)=O)s3)c2C)c1 24980420 UQMJESYCMXPZOH-UHFFFAOYSA-N 446.623 4.115 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1COc1ccccc1 27580825 INABOAYPQHBYQN-UHFFFAOYSA-N 432.520 4.147 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1SC(F)F 108216069 ZSHTUWQKQYUGED-UHFFFAOYSA-N 447.429 4.182 10 20 IICD CCCC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1 303496585 QSZMVLLROFGRPP-OAQYLSRUSA-N 437.584 4.333 10 20 IICD Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCOc4cc(N(C)C)ccc43)c2C)cc1 437011842 YEQUMIDNIIEETP-UHFFFAOYSA-N 432.568 4.281 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1c(COc2ccccc2)nc2ccccc21 437012613 MIWJIASUZPOVIK-UHFFFAOYSA-N 442.519 4.107 10 20 IICD CC1=CC(NC(=O)c2ccccc2Cl)=S=C1C(=O)Nc1ccc(-c2ncco2)cc1 500384898 CFNGUTRDWPUKPD-UHFFFAOYSA-N 437.908 4.359 10 20 IICD COc1ccc(N2CCC(NC(=O)COc3ccc(Oc4ccccn4)cc3)CC2)cc1 726563137 WPPYNDWTABGKOX-UHFFFAOYSA-N 433.508 4.047 10 20 IICD COc1cc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc(OC)c1 726565153 CUQCXBWXJQTZPQ-UHFFFAOYSA-N 434.483 4.023 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@H](c2ccccc2F)C1 727604465 MDFAWIIXRQWNJW-NRFANRHFSA-N 449.473 4.179 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(NC(=O)C(F)(F)F)cc3)ccc21 728471561 ANMNRSOGNUWUDU-UHFFFAOYSA-N 447.457 4.335 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 729535093 JVTBTGCNGHSFLJ-GKVSMKOHSA-N 434.536 4.115 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 731282684 VPGJRTUKEPQZOS-OAQYLSRUSA-N 431.964 4.041 10 20 IICD CCN(CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccc(C(F)(F)F)cc1 734067838 SXBQSHYLAIJREJ-LJQANCHMSA-N 439.478 4.302 10 20 IICD Cc1nc(-c2cnn(C)c2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 734321176 LZTMZLOBNKACDX-UHFFFAOYSA-N 437.491 4.123 10 20 IICD CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 734430337 ZGLWETOFRUPQKO-JTHBVZDNSA-N 425.960 4.166 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccco1)N1CCCC1 742714358 IPOKFCLJYGQMRP-KRWDZBQOSA-N 436.350 4.116 10 20 IICD C[C@@H]1CCCN(CCCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 743550254 YMHKQAMPEZDYKD-MOPGFXCFSA-N 438.563 4.068 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 743554850 MPARJPLZRGPCSC-IECBHUPTSA-N 441.547 4.031 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(F)c(COCCOC)c1 743807922 LCUDRYKXGVGHPW-UHFFFAOYSA-N 440.309 4.119 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 743808624 AHJSRIRCQRJGKX-KRWDZBQOSA-N 445.357 4.056 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 743890756 XIBKGNHPVOTLHU-UHFFFAOYSA-N 447.539 4.021 10 20 IICD Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 745691744 MZBHAYUYTZLAON-VJTSUQJLSA-N 448.611 4.174 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 746018352 DGUOOAVDUXUPOP-GGAORHGYSA-N 449.517 4.153 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 746730473 SOYJBHXKBKHYPA-UHFFFAOYSA-N 441.988 4.460 10 20 IICD CN1CCc2cc(/C=C(/Cl)c3nnc(C(=O)NCc4ccc(F)cc4)s3)ccc21 751520479 BCBPMZACVDRNEP-GZTJUZNOSA-N 428.920 4.336 10 20 IICD CC(=O)c1cccc(OCCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 754549048 IHORCQBCNUWRAV-UHFFFAOYSA-N 427.456 4.462 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccnc(Oc4ccccc4)c3)cc2)CC1 754939038 SJUVEMMJBGBBAR-UHFFFAOYSA-N 444.535 4.365 10 20 IICD Cc1ccc(OCc2nc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)cs2)cc1 764412798 VCFPQFZGWHHTRA-LZYBPNLTSA-N 429.548 4.420 10 20 IICD CC(=O)OCCc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 764698116 HMCAELJFDUVPFD-IBGZPJMESA-N 447.482 4.184 10 20 IICD COc1ccc([C@@H](CCC(C)C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 765980363 ZCMWNAZNEXLIJK-XMMPIXPASA-N 430.614 4.197 10 20 IICD C[C@@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccncc1 769148192 YBJGZYCUKWVRSM-UWJYYQICSA-N 426.561 4.023 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)NCc4ccc(C)cc4)no3)ccc21 771366640 XCJKEEBRYOJIRR-UHFFFAOYSA-N 432.524 4.122 10 20 IICD CCN(CCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1)CC1CC1 771421004 JCPALVYEAXWHHR-UHFFFAOYSA-N 444.689 4.283 10 20 IICD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773844860 CZMBPIXEJRQGTM-GOSISDBHSA-N 447.583 4.360 10 20 IICD CC[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cc(Br)ccc1O 775541029 SKYKHFNXYLAHNQ-RBUKOAKNSA-N 432.362 4.168 10 20 IICD CC(C)c1nc([C@H]2COCCN2C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 780827238 JWKXVMKGRHTEHH-OAQYLSRUSA-N 441.576 4.245 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C4SCCCS4)cc3)c2)CC1 781045064 BVJGOOIQVHEYJT-UHFFFAOYSA-N 441.622 4.476 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC 782897603 YZPNFJDOACNCBW-UHFFFAOYSA-N 426.513 4.100 10 20 IICD COc1cc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1F 783485687 KGVAAJSWUKFXMI-CQSZACIVSA-N 425.435 4.289 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H](c1ccccc1)c1nc[nH]n1 785320240 ZPVMPNZZDQNRFD-HXUWFJFHSA-N 425.452 4.064 10 20 IICD C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788932534 OKGMPHHGSUGCCD-ZWKOTPCHSA-N 427.976 4.207 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)cc(OC)c1OC 790592082 UJCYEWGASFAVLR-PDGQHHTCSA-N 433.526 4.295 10 20 IICD C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Br)cn1 793409169 BXVMGGHLICKPNU-WMLDXEAASA-N 434.334 4.002 10 20 IICD CSc1nnc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1 799978236 ZNJHRPPENYXPOU-LBPRGKRZSA-N 426.011 4.149 10 20 IICD Cc1cccnc1-c1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C[C@@H]1CCOC1 802763248 UQPLBCHVGZJERI-QFIPXVFZSA-N 446.599 4.312 10 20 IICD CN(Cc1ccccc1O)c1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2)n1C 809864090 YUTZNTKDIPQVSW-DEOSSOPVSA-N 439.563 4.457 10 20 IICD C[C@@H](NC(=O)N(C)CCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 812879972 XZCMIVUNKYPEHW-QGZVFWFLSA-N 446.389 4.231 10 20 IICD COC(=O)c1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 914293372 DUXAYTAKLYXVIW-FOWTUZBSSA-N 446.575 4.155 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 916503103 RLVWNLWWGDZCCR-HXUWFJFHSA-N 427.976 4.355 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)s1 917219083 LGVCHKCLYNLMEY-UHFFFAOYSA-N 435.596 4.234 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 917697631 FGHQTDXMRNDDRF-UHFFFAOYSA-N 439.515 4.378 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)s1 917873985 YQCYAUNAOIDYDN-UHFFFAOYSA-N 448.469 4.478 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCC1CCCC1 918506384 DHMQIQLRLQZBOY-DHDCSXOGSA-N 440.384 4.384 10 20 IICD CCCc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c12 919969164 PNEJTEFTMWXXAD-UHFFFAOYSA-N 448.567 4.191 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1 920921993 DYLWMPVQDCKASN-UHFFFAOYSA-N 445.563 4.109 10 20 IICD CN1CCN(c2ccc(CNCc3ccccc3CN(C)Cc3ccco3)cc2F)CC1 1318846539 ADICOAAFSCDCEG-UHFFFAOYSA-N 436.575 4.092 10 20 IICD CCC(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821907422 ZWRCQMONUSSMMX-OAQYLSRUSA-N 447.539 4.102 10 20 IICD Fc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1N1CCOCC1 237808156 RCFFUDHRZSSFPJ-UHFFFAOYSA-N 443.526 4.200 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 303327858 SKWQUQQHGYNXCY-QGZVFWFLSA-N 434.627 4.076 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccccc4Br)C3)ccc21 726249451 GNBMHCCPLDXJGF-OAQYLSRUSA-N 444.373 4.115 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 727176174 HEIIXUKMAWFVAN-VGOFMYFVSA-N 431.396 4.377 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCc2c(Br)cccc21 727842562 ZFRFKHJTDNSVQC-HXUWFJFHSA-N 446.414 4.489 10 20 IICD O=C1/C(=C/c2c[nH]nc2-c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(F)cc1 728157200 MGPJJGBJVXATIJ-IUXPMGMMSA-N 425.466 4.350 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc(NC(=O)CSC)cc3)ccc21 728518469 SZMIRFLGAUEJAO-UHFFFAOYSA-N 426.538 4.425 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 728985622 ZDHIFJUDFQXRMJ-AWEZNQCLSA-N 440.569 4.116 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1Br 730567264 ROUHFQXAQIHPOJ-JTQLQIEISA-N 440.225 4.407 10 20 IICD CN(c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1)C1CCCCC1 731618308 MXVMVTSHVWQBTO-UHFFFAOYSA-N 434.515 4.071 10 20 IICD COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2 733786992 GDMBTIPKMOKQPT-IBGZPJMESA-N 445.357 4.272 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 736376228 QHWJKUAJJNCVMB-KKSFZXQISA-N 434.005 4.469 10 20 IICD Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 741734186 AGAQXBDQEWDOMC-KRWDZBQOSA-N 446.389 4.053 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCSc2ccccc21 741906546 KQBZOYZCULHZRL-SFHVURJKSA-N 436.499 4.438 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804405 YALHIOPCNJRMFD-JKSUJKDBSA-N 434.458 4.421 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 743336504 KPDRTWHALMFSEE-VWKPWSFCSA-N 428.529 4.480 10 20 IICD O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](NCc2ccc(N3CCSCC3)cc2)C1 751597694 YFEUXWUSAFZIJO-IFMALSPDSA-N 449.620 4.327 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccccc1F 751937618 SFWPGBRBOSFDCO-FQEVSTJZSA-N 427.501 4.275 10 20 IICD C[C@H](Sc1ccccn1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 754240471 OZVZZMPGXBOOBN-LPHOPBHVSA-N 444.601 4.010 10 20 IICD COC1CCC(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 754294320 YVFZFRXEAOIPIS-HFCFLWKCSA-N 425.520 4.151 10 20 IICD C[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(Cl)c1O 756608887 QYIBQXAQCCXFON-JLTOFOAXSA-N 439.781 4.096 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c([nH]c5ccccc45)C3)cc2F)C[C@H](C)O1 759285178 DOLJFRYNZKRFMN-IRXDYDNUSA-N 436.531 4.189 10 20 IICD COc1ccc(CN2CCCN(C(=O)CSc3ncc(C(C)(C)C)s3)CC2)cc1 759717222 ATWCDBUEPLEEKG-UHFFFAOYSA-N 433.643 4.276 10 20 IICD O=C1/C(=C\c2cccc(-n3cccn3)c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 760217540 WXSUCATUQCBVKZ-RCCKNPSSSA-N 449.557 4.087 10 20 IICD COCCCN(C(=O)/C=C\c1cccnc1)c1cccc(NC(=O)/C=C\c2cccnc2)c1 760616996 SGOUAFOOBYRCLP-MIMPSMLTSA-N 442.519 4.211 10 20 IICD Cc1ccc([C@@H]2NC(=O)N([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)cc1C 761634304 CAHJRVMZTXVVKW-QUCCMNQESA-N 429.467 4.167 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 762978080 IQJPKQNIWAHHIY-UHFFFAOYSA-N 442.566 4.187 10 20 IICD Cc1cc(C(=O)OCCNC(=O)c2ccccc2C(F)(F)F)c(C)n1-c1ccccn1 769769051 AXOLJDLJUUUYHW-UHFFFAOYSA-N 431.414 4.095 10 20 IICD Cc1cc(C)cc(C2=CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)c1 770264389 VUSRDLIKZOMERM-QHCPKHFHSA-N 446.595 4.004 10 20 IICD CCCN(C(=O)c1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 771544326 NDPAOZSBSGIZCC-UHFFFAOYSA-N 438.572 4.310 10 20 IICD CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccc(N4CCC[C@@H](C(N)=O)C4)cc1)(C2)C3 772316789 CQPWBLPNFDZCQM-GQJKKZBQSA-N 437.628 4.391 10 20 IICD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 780050991 PXPUURRCJKKMNS-KRWDZBQOSA-N 449.517 4.345 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)cc2C1 780572096 BUSRNNUJAPDHPJ-UHFFFAOYSA-N 441.547 4.203 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(Br)n1 782897601 YYNQQACCNOEARE-UHFFFAOYSA-N 446.345 4.158 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 790415760 LSWJBQRYJJUKLZ-UHFFFAOYSA-N 447.694 4.018 10 20 IICD CCc1c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1C(CC)CC 792205944 CIQDJJPIDUDBHR-UHFFFAOYSA-N 439.604 4.394 10 20 IICD CN(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c(C(F)(F)F)c1 792929503 CZAUJJBEMVQPIH-UHFFFAOYSA-N 425.470 4.161 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1cccc(Cl)c1 799636565 SMKSFONIFYZBOE-UHFFFAOYSA-N 435.958 4.275 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 801549794 ANGBKCXXZHRPFG-UHFFFAOYSA-N 440.565 4.043 10 20 IICD Cn1ncc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1-c1ccccc1 806993348 VRPXHULHCGEYJP-UHFFFAOYSA-N 432.524 4.093 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 807675071 UJMOUEMRQUMYRG-FOIQADDNSA-N 435.490 4.462 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CC12CCC2 813785872 SUZULNAPTBTMJV-LJQANCHMSA-N 433.568 4.074 10 20 IICD C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 857758794 SETPFRMAYHBLNY-LEWJYISDSA-N 431.580 4.374 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 914455098 KIGMEOHBQOWRJT-LJQANCHMSA-N 435.499 4.067 10 20 IICD COCc1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914741397 JUONVFLDCFSLIS-PDGQHHTCSA-N 446.619 4.192 10 20 IICD CN(CCCc1ccccc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 916055047 QWUJGHFGICBBSC-UHFFFAOYSA-N 428.444 4.075 10 20 IICD O=C(COc1cccc2ccccc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456484 GLEQBLKADXXIIZ-UHFFFAOYSA-N 444.453 4.390 10 20 IICD CC(C)NC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c([N+](=O)[O-])c1 917086681 MFDUPMOKYCAGEI-HOTGVXAUSA-N 444.507 4.098 10 20 IICD C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(N5CCC[C@@H](C(N)=O)C5)cc4)c23)C1 917391127 MMJZVEPHMITYSJ-NVXWUHKLSA-N 435.597 4.130 10 20 IICD CCOc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918219175 GMIINMHYOAZEIR-QHCPKHFHSA-N 441.547 4.232 10 20 IICD CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918219597 LQZCJOZQKFLBRY-UHFFFAOYSA-N 439.453 4.147 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4ncnn4c3C(C)C)c2C)cc1 919271170 NYKRBUPEPUNRKQ-UHFFFAOYSA-N 431.496 4.003 10 20 IICD C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971624 UIPZXHHWWNLWJV-KRWDZBQOSA-N 428.548 4.168 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccccc2)ccc1Cl 1116592254 REDPSRBWBBWKFM-FQEVSTJZSA-N 439.895 4.322 10 20 IICD C[C@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1255191976 KGTPINFUAORYQL-KRWDZBQOSA-N 426.561 4.338 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCNc2nccc(C(F)(F)F)n2)c1 1318693412 UAMGJBJNTMZVSF-UHFFFAOYSA-N 437.853 4.398 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(O)(Cc4ccccc4F)CC3)cc2)CC1 1321359419 UTZUCQHWIGUDII-UHFFFAOYSA-N 439.575 4.341 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCC(=O)N1CCCC1 1321544628 HKADYSKPKGAEHG-LJQANCHMSA-N 448.489 4.104 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 301687542 QPJQPAXDNMRYBW-XMMPIXPASA-N 430.504 4.076 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)ccc21 490173347 HFUAVWVAEUVWML-UHFFFAOYSA-N 442.563 4.415 10 20 IICD CC(C)COC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccco1 725868553 WRNDFUUNNOQERM-OPYAIIAOSA-N 447.551 4.245 10 20 IICD CCOc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726694509 MNBPANZIWXUOGV-UHFFFAOYSA-N 435.471 4.486 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccccc3N3C[C@H](C)O[C@H](C)C3)CC2)cc1 726695405 KDGVDQXUPXRCNG-KDURUIRLSA-N 438.572 4.099 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OCC(F)F 726849818 XVFZBCCQFBZBJA-UHFFFAOYSA-N 437.462 4.061 10 20 IICD Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 727214833 LLDOYRBDTDCVLE-CQSZACIVSA-N 431.419 4.094 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)c(F)c2)cc1 727465035 ZWPGSLRFTVHEKQ-XMMPIXPASA-N 433.483 4.442 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2c(c1)C[C@H](C)O2 728439274 GOBBTLYMDYJLRT-HCZVKUGISA-N 426.563 4.490 10 20 IICD CCCN(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C1CC1 728838296 XPBIQUWRNFACEH-GDNBJRDFSA-N 439.400 4.051 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 729174305 CQQMOEVGNXLZEV-UQBPGWFLSA-N 433.596 4.243 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cc(F)c(F)cc1F)c2[N+](=O)[O-] 729657265 NLMWGTBREQKLHO-UHFFFAOYSA-N 426.306 4.040 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@@H](OC3CCCC3)c3ccccc3)cc2F)CC1 730192885 OQBODMBEEFVERL-VWLOTQADSA-N 439.575 4.284 10 20 IICD C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 730481468 JSPSBIQCDWCMDO-YJBOKZPZSA-N 448.394 4.190 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCN1CCN(c2ccccc2)CC1 731864760 CSRVMAULIMRKOI-UHFFFAOYSA-N 434.628 4.238 10 20 IICD Cc1cc(Br)ccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 732468614 XZMZBAFDVNJYIV-LJQANCHMSA-N 433.346 4.354 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3csc(N(C(C)=O)C4CC4)n3)ccc21 734187508 GBYFNWIAOTYOLQ-UHFFFAOYSA-N 441.553 4.233 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 737118683 ZMVPYAVTAKOPCK-UHFFFAOYSA-N 444.535 4.461 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cccc(-c4csc(C)n4)c3)cc2F)CC1 742645308 OXJQQEPVDROZPU-UHFFFAOYSA-N 438.572 4.330 10 20 IICD CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 742922022 QGYIJJVEECFOLN-WDGDVPDHSA-N 426.654 4.084 10 20 IICD COCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cc1 743286018 ZJEAZLSIMXXFOP-BWCLHNGZSA-N 425.575 4.471 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCn1c(C)nc2ccccc21 745299392 HXTJXSASMQLRDK-UHFFFAOYSA-N 445.361 4.435 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 747417529 TUKKCQZNARFRJE-CJFMBICVSA-N 435.568 4.187 10 20 IICD O=C(Nc1cnc2ccccc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748021773 GHHHMEQVDYBEPO-UHFFFAOYSA-N 425.491 4.055 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)nc1-c1ccccc1 749737683 JQEFHYZXUINZNG-UHFFFAOYSA-N 432.571 4.282 10 20 IICD Cc1nnc2n1C[C@H](C(=O)OCC(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2 750673426 CVCXZVIUSGGJRF-HXUWFJFHSA-N 434.540 4.106 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1ccc(F)c(Cl)c1 751302799 RKBDOQMSVMUMND-UHFFFAOYSA-N 447.861 4.330 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 751307649 YPHVQHHBULHICA-NLFFAJNJSA-N 435.612 4.491 10 20 IICD CCN(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H](C)c1ccc(F)cc1 751932709 XNADJXHHSIIMQG-HNNXBMFYSA-N 441.528 4.222 10 20 IICD C[C@@H]1CN(c2ccc(CNCc3ccc(NC(=O)OC(C)(C)C)nc3)cc2F)C[C@@H](C)O1 756104008 YKRUDJMJDMNQKB-IAGOWNOFSA-N 444.551 4.471 10 20 IICD C[C@H](NCC1(N2CCCCC2)CCOCC1)c1cc(Br)cc(Cl)c1O 756707870 XJMGDLDVYDSTIY-AWEZNQCLSA-N 431.802 4.494 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O 760027588 AJNFMCRPCOLGSG-NSHDSACASA-N 432.767 4.371 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(F)ccc1OC(F)F 760092616 NTKYLPCNISQEAJ-UHFFFAOYSA-N 435.446 4.015 10 20 IICD COc1cc(Cl)cc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)c1O 761198929 WWVNGOCYRBQMGY-SNVBAGLBSA-N 428.710 4.439 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 761575549 KRUKQJFLXWJUKW-QRQCRPRQSA-N 435.503 4.048 10 20 IICD C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 764990951 RIXKEDUBIIHVAM-IAGOWNOFSA-N 426.536 4.358 10 20 IICD COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)cc1 765904050 IVBMZQSUQDMACH-OAQYLSRUSA-N 448.454 4.253 10 20 IICD C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCCCCC2)cc1 766512900 NVINAGAGLWFLJV-NRFANRHFSA-N 428.665 4.344 10 20 IICD O=[N+]([O-])c1cc(CN[C@H](CO)c2ccc(Br)cc2)ccc1N1CCCCC1 767426819 RTBXPEVNYWDEKS-GOSISDBHSA-N 434.334 4.171 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Oc2cnccn2)c1 771066193 PKCBGGOHDOPCKV-IBGZPJMESA-N 438.915 4.022 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)C2CC2)cc1 774154199 GEFZCQFRBGBILD-UHFFFAOYSA-N 443.547 4.461 10 20 IICD Cc1cc(Br)cc(CN2CCC(C(=O)NCCc3cccs3)CC2)c1O 775664905 DQHNGMOXSADVJR-UHFFFAOYSA-N 437.403 4.096 10 20 IICD CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)O2 777279060 OPJZGCMBPDBVGL-SSSUMRQXSA-N 436.512 4.479 10 20 IICD O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 779516036 WFJUICHNQDGQDF-WZUFQYTHSA-N 447.466 4.479 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(C(F)(F)F)n1)c1ccc(N)cc1 786424190 MDDHIMQZTBYWNN-CQSZACIVSA-N 428.414 4.416 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 788933504 WMEMYWAAROPEIO-FQEVSTJZSA-N 436.581 4.122 10 20 IICD CC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)sc2C1 789747831 MGSOFTGWTALWRK-INIZCTEOSA-N 428.602 4.100 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 793784557 QICCYHCXDWFYTB-KRWDZBQOSA-N 426.410 4.080 10 20 IICD COc1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(O)c1 794390978 SCUALVGHXKDSAZ-UHFFFAOYSA-N 431.467 4.252 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 796505976 UUAZIIAQAVLFAO-UHFFFAOYSA-N 438.977 4.243 10 20 IICD CC(C)N(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 800719354 JTIQKPNIMXNAFU-GOSISDBHSA-N 449.039 4.365 10 20 IICD CCSc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 804587856 DNQKYRIDBLAKGI-GOSISDBHSA-N 427.614 4.479 10 20 IICD CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)s1 806228228 YRZKPPLRWOPEJW-MRXNPFEDSA-N 432.929 4.496 10 20 IICD COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 806458472 YMZBXXGNSKGLJC-XMSQKQJNSA-N 441.547 4.354 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 807270322 QTGZUTGZXKYSOG-LJQANCHMSA-N 443.613 4.373 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 807513040 QJWIQURGUXCQGH-UHFFFAOYSA-N 439.629 4.209 10 20 IICD Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)C2 808077484 RHGUPFKEZXTRGK-OAQYLSRUSA-N 434.584 4.002 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@@H]1CCc2nncn2C1 814317260 DYRUYUVVUSCTLP-DNVCBOLYSA-N 443.473 4.152 10 20 IICD C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1OCCc2sccc21 815834900 DYUPSGQDXALJLT-XXHMAFKTSA-N 434.989 4.138 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1OC 914577279 LVWJSXYXWALUNW-UHFFFAOYSA-N 426.466 4.215 10 20 IICD OCC1CCN(c2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)CC1 917575872 FCSVQFHAPYEWDM-UHFFFAOYSA-N 434.403 4.144 10 20 IICD COC(=O)[C@H](CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)Cc1ccc(O)cc1 1251823571 CQEMSIAOGUIEKE-SFHVURJKSA-N 440.927 4.215 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(Cc2cscn2)no1 1320478201 KTJITGZOMVBLTH-JYRVWZFOSA-N 434.593 4.012 10 20 IICD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCC2)cc1 1339301142 SOOTUCMGDMAFPT-JOCHJYFZSA-N 436.556 4.378 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCCSC3)C2)cc1 1847021994 OQRHIJHNUCKWMN-NRFANRHFSA-N 437.609 4.054 10 20 IICD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cc(F)ccc1F 23512941 FZXMLZBAXFVDGW-UHFFFAOYSA-N 440.785 4.433 10 20 IICD Cc1cc(C(=O)N[C@H](C)c2nnc3ccccn23)c(C)n1-c1cccc(Br)c1 71996567 NJPCHSUPRIGNJC-CQSZACIVSA-N 438.329 4.390 10 20 IICD CCc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c3c2CCC3)cc1 303729598 UUYSVPFAMAOWQW-QFIPXVFZSA-N 445.563 4.450 10 20 IICD Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc2)cc1 437009217 FWHHZKHICOKSFO-QHCPKHFHSA-N 443.547 4.348 10 20 IICD CC(=O)Nc1ccc(NC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726493265 DQRJJURCONQGCK-UHFFFAOYSA-N 434.512 4.202 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 726561686 LLQWJSOMWIAEQJ-UHFFFAOYSA-N 438.509 4.126 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Nc2ncccn2)c1 726567905 RTADJTKGBVZIHD-UHFFFAOYSA-N 439.466 4.220 10 20 IICD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)N(C)Cc4ccccc4O)cc32)c1 727591773 WBJPSEFOZNLFGU-UHFFFAOYSA-N 445.519 4.197 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4)nn3)c2C)c1 727876317 ZLQQUVFRYVKMEL-UHFFFAOYSA-N 432.524 4.141 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 728985043 VEXZXQMOFFMVRX-OAGGEKHMSA-N 427.501 4.282 10 20 IICD O=C(Cc1ccccc1C(F)(F)F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 729322206 CGSRWYZMYMANDZ-UHFFFAOYSA-N 446.391 4.420 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)CCC2CCCC2)cc1 732115390 YZCAYWIBFITBTN-UHFFFAOYSA-N 437.584 4.381 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1F 734217526 ZRJXORVYDVRRQH-UHFFFAOYSA-N 437.437 4.114 10 20 IICD CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735687988 WOHRWUSSUBORTO-OXQOHEQNSA-N 439.547 4.397 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)ccc1F 737379142 DVVYSHGTBQZCPS-UHFFFAOYSA-N 431.923 4.423 10 20 IICD C[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(N2CCOCC2)cc1 737519879 GZFHVVPBSJHNOI-MRXNPFEDSA-N 444.457 4.219 10 20 IICD C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 737697844 LPNKLWKQHXEWOY-ZDUSSCGKSA-N 444.418 4.269 10 20 IICD COc1cccc(-c2n[nH]cc2CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742385229 TYLWAXNWTNTPRH-SFHVURJKSA-N 428.483 4.445 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(Cn2cccn2)c1 743091019 XXINHBXNUJGLGV-UHFFFAOYSA-N 429.318 4.454 10 20 IICD CN(C)c1ccc(CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 746865862 FNIABEQDVOXENA-UHFFFAOYSA-N 447.510 4.047 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](Cc3ccccc3OC)C(C)C)CC2)cc1 747953564 PSSYRUIQTSZHFJ-HSZRJFAPSA-N 425.573 4.239 10 20 IICD C[C@H](O)c1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 748554374 MAPBWCXPPMZJEU-QCUKBLKESA-N 446.619 4.099 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](c1ccccc1)N1CCOCC1 749129206 WMIFHXODNZGTPY-YADARESESA-N 445.554 4.308 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 750862053 NMCRVJWYVWYTLG-UHFFFAOYSA-N 430.570 4.009 10 20 IICD COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 753831819 STDMREBVJLUAQY-UHFFFAOYSA-N 437.945 4.356 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(Br)c(Cl)c3)SC2=S)CC1 754830718 CTZPQHIRMYQROM-NTEUORMPSA-N 431.808 4.398 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(Br)cc1O 756479574 NIEDCCMESLUAJK-SNVBAGLBSA-N 428.124 4.207 10 20 IICD CN(Cc1cc(Cl)cn1C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 757712201 KTXANIQIEHBEFP-OAHLLOKOSA-N 426.895 4.090 10 20 IICD COc1cc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(O)c(C(C)(C)C)c1 758954659 MSINNTBXZYWRIX-UHFFFAOYSA-N 444.572 4.046 10 20 IICD COc1cc(N2CCN(C(=O)CCSc3ccc(C)c(C)c3)CC2)cc(OC)c1OC 759220150 FFCTUYOVZLLMOB-UHFFFAOYSA-N 444.597 4.160 10 20 IICD Cc1c(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cnn1-c1ccccn1 764525555 UFDWTTLYAXSETK-UHFFFAOYSA-N 449.920 4.293 10 20 IICD C[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 765683646 JWJAGRIYGRDJQV-SJORKVTESA-N 431.374 4.342 10 20 IICD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 765841470 QPCBTJFUNRGWLV-CQSZACIVSA-N 447.251 4.080 10 20 IICD CN(C)CCCC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 766789998 XHGGDZHIBUFYSM-UHFFFAOYSA-N 438.563 4.020 10 20 IICD COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccccc1-c1ccccc1 767421675 ABIJIPULHGMDCA-UHFFFAOYSA-N 427.551 4.079 10 20 IICD O=C(CCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2c(c1)OCCO2 768253192 HXNYMQWKUNJNFK-UHFFFAOYSA-N 435.476 4.338 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 770662990 NVYIHHRTHABIDK-UHFFFAOYSA-N 442.361 4.042 10 20 IICD CCC(=O)[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 773538608 OJTDIYRYHJVYJS-SUCHYCSPSA-N 436.624 4.090 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-c2cncnc2)cc1F 773822923 FXYIOAISASGDCZ-KRWDZBQOSA-N 442.441 4.283 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cc(F)c(Cl)cc1Cl 774956892 NIZWFEHTGWJQJQ-GFCCVEGCSA-N 438.330 4.009 10 20 IICD COc1c([N+](=O)[O-])ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1O 775013748 BFUCYYDCWSGBFO-IBGZPJMESA-N 436.443 4.329 10 20 IICD COC(=O)c1c(CC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)[nH]c(C(C)=O)c1C 777823097 PNUWEAVKPXLFPV-QGZVFWFLSA-N 448.519 4.350 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1 777874513 CMRXXYQEZMBARP-SFQUDFHCSA-N 440.546 4.147 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cncc(Cl)c1Cl)c2[N+](=O)[O-] 778078430 JXUOJFXEVYFHEQ-UHFFFAOYSA-N 442.214 4.324 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)CC1 781046001 VWTZOYDNXADHTA-UHFFFAOYSA-N 436.737 4.023 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-n2cccn2)c1)c1ccc(N)cc1 783483540 ZVKMJEPIZKURSW-SFHVURJKSA-N 425.492 4.187 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 785542988 HDHXNZUHARHOHZ-UHFFFAOYSA-N 434.564 4.256 10 20 IICD COc1cccc(CN(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)c1O 785992750 UBCDCZLCGOHPLJ-QGZVFWFLSA-N 436.346 4.353 10 20 IICD Cc1cc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)ccc1NC(=O)C1=S=CC=C1 789767534 MOZGRWRUBLXGNJ-UHFFFAOYSA-N 442.541 4.021 10 20 IICD C[C@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(N(C)C)cc1 790912336 BPNFRTBFZPETGS-JTQLQIEISA-N 427.140 4.164 10 20 IICD CC(=O)N1CCN(Cc2ccccc2NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 793148956 DDJRIWOFESSWBZ-UHFFFAOYSA-N 434.506 4.048 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(Br)c(F)cc1O 798940062 QKZFPZYHGGWRHJ-CWTRNNRKSA-N 437.309 4.385 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 806249463 VZARCPMWWZZOHG-XMMPIXPASA-N 445.563 4.325 10 20 IICD Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C 807680055 ZASIANZATAZWNV-NZQKXSOJSA-N 438.568 4.112 10 20 IICD CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1c(C)noc1C 807952455 IHKNCDMGOSDULY-LIRRHRJNSA-N 446.979 4.065 10 20 IICD Cc1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1S(=O)(=O)N(C)C 809679692 FSZHJKRENOGQOC-UHFFFAOYSA-N 426.538 4.142 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811703651 YKENVJLEEGRHBY-CQSZACIVSA-N 443.949 4.185 10 20 IICD CC(C)(C)NC(=O)NC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772814 FPOGOINIUSVINM-RIYZIHGNSA-N 433.580 4.229 10 20 IICD COC(=O)c1c(NC(=O)CN2CCCC2=O)sc(C)c1-c1ccc(Cl)cc1Cl 914526817 GZXOFFVRWHKKIU-UHFFFAOYSA-N 441.336 4.378 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc5cnccc45)n3)ccc2N1 917873079 VKDOEHNMSIAOLH-UHFFFAOYSA-N 436.518 4.044 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc3cnccc23)nc1-c1cccc([N+](=O)[O-])c1 917923992 DCMIARYWOLAFCU-UHFFFAOYSA-N 426.479 4.376 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 918002715 IXVQQSOLNXVHSS-INIZCTEOSA-N 443.498 4.423 10 20 IICD Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1NC(=O)c1ccccc1F 918372217 XSGICCQCGRKEKT-UHFFFAOYSA-N 433.483 4.475 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(COCC2CC2)c1 920873706 PTPGYLIQTGUPMJ-UHFFFAOYSA-N 427.520 4.035 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCc2csc(CS(C)(=O)=O)n2)c1 1318817664 DAQMOJLVRRPBDJ-UHFFFAOYSA-N 438.958 4.106 10 20 IICD COc1cc(F)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 1323853460 GUMDEYJWGBKSLH-UHFFFAOYSA-N 427.398 4.011 10 20 IICD C/C=C/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831364742 NSQHEQHMIJWRKW-XTAONSPJSA-N 432.948 4.117 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 19355482 XVNDUAOTKZJDEC-UHFFFAOYSA-N 441.626 4.082 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(C)n1-c1cccc(Br)c1 110843222 YVVIVVFOZCWDNW-MRXNPFEDSA-N 433.346 4.082 10 20 IICD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 248108831 JLOAAKPCTMCGMW-AOYPEHQESA-N 447.579 4.224 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)c(I)c1 437019479 BKMVCMMZEMZCHJ-UHFFFAOYSA-N 442.684 4.050 10 20 IICD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C2=S=CC=C2)o1 543076326 ARIJXXBKAUYZSL-LJQANCHMSA-N 432.549 4.110 10 20 IICD O=C(Nc1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1)C1=S=CC=C1 545083560 ZBCIEWMWSLAGTN-UHFFFAOYSA-N 447.516 4.178 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 725868766 YLTLLXFFBXCVMV-VQIMIIECSA-N 437.437 4.036 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cc1 727946571 JYSHYUCNFKFJDT-LJQANCHMSA-N 436.600 4.148 10 20 IICD Cc1cc(C(=O)CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(C)n1-c1cccc(F)c1 728915121 MZMBNYFBLSTILW-GOSISDBHSA-N 439.575 4.386 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 728978981 XABBLJNYPCFLHL-LBPRGKRZSA-N 444.329 4.457 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1 728980090 VHJATJFLKAJJCZ-MRXNPFEDSA-N 437.492 4.488 10 20 IICD CC(C)COc1ccc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 730131080 OAGUZXGAIHFHPN-HSZRJFAPSA-N 426.557 4.360 10 20 IICD CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O 732813698 NIOPRMZXYSNVGK-GOSISDBHSA-N 433.434 4.136 10 20 IICD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)NCc1ccc(N(C)C)cc1C 734687021 CCPAWNURKLPCHN-UHFFFAOYSA-N 441.963 4.485 10 20 IICD C[C@@H]1CSCCN1C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 737709031 CWYATGKXEAZRAY-NXTQRVMMSA-N 444.666 4.441 10 20 IICD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)c(Cl)c1 742655153 ZXFGABFIWMFOCY-UHFFFAOYSA-N 430.904 4.410 10 20 IICD Cc1cccc(-n2ncc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2C)c1 742800837 UPBFVAKOWYAZSS-SFHVURJKSA-N 440.494 4.489 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c2c1C(=O)CC(C)(C)C2 742806302 RHDPJAHEELMOKX-HNNXBMFYSA-N 445.510 4.478 10 20 IICD O=C1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CN1Cc1ccccc1Cl 743429460 PHDGJMJPZUBISD-IBGZPJMESA-N 438.911 4.216 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Cc1cccs1 743555187 RSRFUOJSPDXHNT-OAHLLOKOSA-N 441.519 4.282 10 20 IICD C[C@@H](c1ccccn1)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 743655528 STDOXXABEGDEQF-DLRWLJPMSA-N 431.608 4.344 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 745583063 ATCNDQLJDCBXNK-MRXNPFEDSA-N 446.389 4.133 10 20 IICD COc1ccc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1 747579647 CQAKNGHZGHIPDX-UHFFFAOYSA-N 437.565 4.260 10 20 IICD C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1c(F)cccc1F 751059584 BCTIUJKLZGEOKA-NSHDSACASA-N 438.477 4.024 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(Br)cnc1Cl 751308453 XSPRBTLKQDROEM-UHFFFAOYSA-N 428.677 4.460 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccccn4)ccc3Cl)cc2)C1 754880060 BNGUYMIKGBPQJW-IBGZPJMESA-N 448.954 4.034 10 20 IICD C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)cc(Cl)c1O 756895695 XCOBDTZYFMOTKW-JTQLQIEISA-N 438.709 4.380 10 20 IICD Cc1ccc(Cc2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)cn1 761774594 LUNJFQUTPKWPCN-LFIBNONCSA-N 442.591 4.259 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCOc2ncccc2Cl)cc1 761780091 FEIAPAGDGPMZGZ-UHFFFAOYSA-N 428.920 4.185 10 20 IICD Cc1nn(-c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)c(C)c1Br 763278423 AWVCZVVJRAZNNV-GFCCVEGCSA-N 444.329 4.024 10 20 IICD COc1ccccc1N1CC[C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 765544899 ILEXOUBJGKMMBU-OALUTQOASA-N 429.992 4.362 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CC(=O)Nc3cccc(Br)c3)CC2)cc1 765639180 VFQVPSLUEWESNK-MRXNPFEDSA-N 446.389 4.433 10 20 IICD C[C@H](c1nccs1)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 768253809 UJDYOZIAJDTHSX-QGZVFWFLSA-N 448.552 4.402 10 20 IICD CCC1(CC)CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[S@]1=O 769268508 LTBMPNQAIBIRQG-SSEXGKCCSA-N 426.542 4.190 10 20 IICD C[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc(Cl)c(Cl)cc1O 774174130 PACRVRPSCLKEMB-PBHICJAKSA-N 436.383 4.247 10 20 IICD C[C@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 775255743 PJRSDDQYLOKSIV-AWEZNQCLSA-N 441.881 4.485 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)c(C)n1-c1cccc(Cl)c1 779693461 NLZIGHDNKOTBIK-LJQANCHMSA-N 428.920 4.468 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)cc2F)CC1 781422856 YSLCSYPFQUEVLK-KTIWRFAQSA-N 437.603 4.177 10 20 IICD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782896991 WIKVNYLNPQDGQV-UHFFFAOYSA-N 443.931 4.304 10 20 IICD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782897036 SRITYIVZXPLEIG-UHFFFAOYSA-N 446.551 4.495 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 783315956 JLHXWTCCTNBFNZ-UHFFFAOYSA-N 425.426 4.286 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1cccs1)Cc1cccs1 788932988 NYNMCYVWHILHNT-UHFFFAOYSA-N 439.606 4.255 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl 791250450 QVEBYIZMAWRAAA-INIZCTEOSA-N 432.948 4.496 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)cc1 794859494 VDCKYGQINJPMJF-ZHZULCJRSA-N 439.537 4.464 10 20 IICD CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2cccc(OC)c2O)c1 796391187 GHFVHACCIXRPHT-UHFFFAOYSA-N 442.537 4.237 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCNC(=O)c1ccc(Br)cc1 801548851 SWLIZNYKRNBBFX-UHFFFAOYSA-N 433.346 4.104 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 802302067 MOETUTSBPGLYTA-NRFANRHFSA-N 445.510 4.173 10 20 IICD Cc1cc(CC(=O)NCc2ccc(C[S@@](C)=O)cc2)c(C)n1-c1ccc(Cl)cc1 804862983 UBRFUKSFQDYMNJ-GDLZYMKVSA-N 428.985 4.485 10 20 IICD COc1cc([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC 804916257 DBTNZTHWOPLFMF-JTQLQIEISA-N 429.300 4.285 10 20 IICD COc1cc(N2CCN(C(=O)c3sc4cc(F)ccc4c3C)CC2)cc(OC)c1OC 805197868 IQOLYBYSMYRREC-UHFFFAOYSA-N 444.528 4.337 10 20 IICD CC[C@@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cccc(Cl)c1O 806127618 HRQJHARBQVFCHM-UXHICEINSA-N 434.964 4.177 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)cc1 815156133 VPJTUIDOPMYBSB-UUOWRZLLSA-N 425.548 4.145 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1NC(=O)C1CC1 815715655 OYBKXRQYRGNJQX-INIZCTEOSA-N 429.467 4.035 10 20 IICD CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3CCc3ccccc3)cc2)CC1 877844459 UUZVTHLFWFAEHY-SANMLTNESA-N 426.564 4.248 10 20 IICD Cc1ccc2ncc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(=O)n2c1 912876227 MJCQPMILQRERIX-UHFFFAOYSA-N 441.447 4.214 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1C 915185247 ZWDDMKYWDBZTIQ-UHFFFAOYSA-N 434.539 4.335 10 20 IICD CCOC(=O)COc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 915344017 SXJPIMLCOIRBMT-UHFFFAOYSA-N 425.529 4.283 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 918131027 SKXHDIQVDQYFMF-UHFFFAOYSA-N 431.540 4.132 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 920027616 QLJHNWIWBQVXDU-LPHOPBHVSA-N 447.501 4.217 10 20 IICD Cc1cccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793765197 ZMFGVDHNEZLTLQ-VILGAWFOSA-N 442.563 4.363 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Oc2ccccc2)cc1 9975502 YZLAQYASJWXKEG-UHFFFAOYSA-N 432.520 4.353 10 20 IICD CN(C)c1ccc(CN(C)c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1 15116776 IUHJXNYJCFPMPN-UHFFFAOYSA-N 437.853 4.002 10 20 IICD CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1OC 28020732 HPEFSGARLRWTDR-RDGATRHJSA-N 437.584 4.157 10 20 IICD CCCOc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1OCCC 472773657 FYRFWPARHFLJIK-UHFFFAOYSA-N 437.540 4.319 10 20 IICD O=C(CCCn1cnc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566718 BCGNSYXPEBIVDO-UHFFFAOYSA-N 428.483 4.203 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC[C@H]1Cc1ccccc1 726706726 QIIAQIXDYKTMEX-NRFANRHFSA-N 425.548 4.094 10 20 IICD CN(c1ccc(CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cc1)C1CCCCC1 729527441 NQBNRHUKXAEWIA-SANMLTNESA-N 435.612 4.270 10 20 IICD CC(C)COc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 730106862 MVYZLTFGXRXNIA-UHFFFAOYSA-N 449.574 4.267 10 20 IICD O=C(Nc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1)c1ccco1 735927644 WWWKVGFIXPZZRV-UHFFFAOYSA-N 446.459 4.438 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 738808246 KXRCOANUBCIGDX-INIZCTEOSA-N 436.474 4.152 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)CC2)cc1 741085219 NCWNMRDFCUPNRR-LJQANCHMSA-N 438.355 4.004 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2)C1 741913353 HQWYDWTWNGAQOX-GQWLDOHISA-N 446.378 4.115 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1SCCc2sccc21 742552734 VHGLLHGTCVKTNP-SFHVURJKSA-N 442.528 4.250 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)OC(C)(C)C 742574467 SQHYRQSXGUWCTE-UHFFFAOYSA-N 425.529 4.109 10 20 IICD Cc1ccc2oc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)cc2n1 742751039 QLUARPVFTOZNOB-LJQANCHMSA-N 438.528 4.198 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2cc3ccccc3[nH]2)CC1 744280219 GZZVRMBSSJQTCG-UHFFFAOYSA-N 436.531 4.233 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccc(O)cc3)CC3CC3)cc2F)C[C@H](C)O1 745649764 XLWLOWPTGBMXBC-ROUUACIJSA-N 441.547 4.267 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1ccccc1F 746132663 CHSRHQBIYRBJEG-KDURUIRLSA-N 445.554 4.105 10 20 IICD Cc1cc(CC(=O)Nc2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 746388439 WXMHIRHDFMVVOR-UHFFFAOYSA-N 430.957 4.473 10 20 IICD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 747977470 CWPGUJRSJGXOFP-NRFANRHFSA-N 439.556 4.300 10 20 IICD CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(Cc2ccc(N)cc2)n1 751930680 HNODWDUMKBJUIL-UHFFFAOYSA-N 427.482 4.369 10 20 IICD C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)cc(F)c1O 756572090 IWCWRYIUENAFBL-OAHLLOKOSA-N 443.494 4.276 10 20 IICD O=C(Nc1cncc(Br)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 757912741 OKCDYEWMTPLZBF-ZDUSSCGKSA-N 441.276 4.236 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1 761466087 MKFNVUUJZOWCAV-CJNGLKHVSA-N 433.451 4.427 10 20 IICD CC(C)(C)OC(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1 763988784 RJXPRDNLWBUFBR-UHFFFAOYSA-N 447.482 4.078 10 20 IICD COc1cc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(OC)c1OC 765128474 VUEAICWAHAWHGU-ULQDDVLXSA-N 432.536 4.316 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccccc2)CCCC1 773629006 PJOIZOCYAOOZRT-LJQANCHMSA-N 439.575 4.487 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1)c1ccc(N(C)C)cc1 773853878 AATHSHLWWFOIEW-QGZVFWFLSA-N 435.499 4.287 10 20 IICD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 782752137 RQPMNIXFJIXTBW-UHFFFAOYSA-N 438.572 4.440 10 20 IICD CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 783483517 ZJSAPMKBWKIXJT-GOSISDBHSA-N 444.535 4.140 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)n2)c1 783946202 PJEIRMVJLFZGPG-UHFFFAOYSA-N 441.437 4.163 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)C2CCCCC2)cc1 784061213 NOPLMKVRLRUYQQ-UHFFFAOYSA-N 448.567 4.086 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nn1[C@@H](C)C1CC1 784692282 RQDZRNBAIRIYDK-SFHVURJKSA-N 437.588 4.186 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 786873568 BJCNTNQWGMNHEP-UHFFFAOYSA-N 444.456 4.053 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2c(C)cc(C)cc2O)c1 788775289 HKIYPHXQBQMFEU-OAHLLOKOSA-N 435.362 4.251 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 788938938 GFYYJFVUSLWNCO-MRXNPFEDSA-N 435.490 4.387 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)c2c[nH]c3ccccc23)cc1 790069892 FSXOSNGOSSNVQG-SFHVURJKSA-N 433.483 4.346 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(OC(F)F)c(F)c1 790478262 MRNQNSBCMCHCCM-UHFFFAOYSA-N 444.412 4.080 10 20 IICD Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 791903312 FBZATWSZXKKRQA-HNNXBMFYSA-N 441.532 4.372 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1 792157630 OTSXVCZCFLMINS-GOSISDBHSA-N 435.490 4.179 10 20 IICD CC[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4CCCO[C@H](CC)C4)c23)CCCO1 799162961 DCBIVVZWOVEHCY-OYRHEFFESA-N 442.600 4.253 10 20 IICD O=C(c1ccccc1Cl)c1cc(Cl)ccc1NCC(=O)N1CCC2(CC1)OCCO2 799966702 AZMHAPFCBCGAJC-UHFFFAOYSA-N 449.334 4.002 10 20 IICD COc1ccc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3C)CC2)cc1F 800769975 OTEOFDRSNCJKMI-UHFFFAOYSA-N 436.318 4.263 10 20 IICD Cc1cc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2[nH]c(C)c(C)c2c1 803319382 JOOHRYBUDGZEAJ-UHFFFAOYSA-N 434.584 4.213 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2cc(Cl)cc(C)c2O)N2CCOCC2)cc1OC 808672208 GNGJACLAVACSQC-UZLBHIALSA-N 434.964 4.095 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc(OC)c1OC(C)=O 814292960 CIFCDAXOYSSQPT-GMJJPOKASA-N 435.567 4.409 10 20 IICD CC(=O)c1cc(CN(C)Cc2ccccc2C(F)(F)F)c(O)c(CN2CCOCC2)c1 887563281 VJYZTSUNPDNBOS-UHFFFAOYSA-N 436.474 4.078 10 20 IICD Cc1cc(C(=O)COC(=O)c2scnc2Cl)c(C)n1-c1ccc2c(c1)OCCO2 919416218 RBXQTHMOBMUVOX-UHFFFAOYSA-N 432.885 4.015 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(F)(F)F 919920037 JDDAGOJECCWACO-MRXNPFEDSA-N 435.490 4.475 10 20 IICD Cc1ccccc1C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCOCC1 920026443 YUUKPHWUTMUBHL-PMACEKPBSA-N 440.559 4.112 10 20 IICD Cc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10906457 NEKUPDAEYIEMOR-UHFFFAOYSA-N 443.547 4.356 10 20 IICD CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 104916061 DZSLWVPZWRIJPQ-UHFFFAOYSA-N 437.515 4.020 10 20 IICD Cn1cc(-c2ncc(/C=C3\CCn4c3nc3scc(-c5ccccc5)c3c4=O)cn2)cn1 480044885 YQYFJFANPAJBIW-RQZCQDPDSA-N 438.516 4.260 10 20 IICD O=C(NCCCNCc1cc(Cl)cc(Cl)c1O)c1cccc(Br)c1 725850681 IOJMXKDVUACWKR-UHFFFAOYSA-N 432.145 4.371 10 20 IICD Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)N2CCCC2)cc1 726245005 GCYKTXKLGBVIDY-OFVILXPXSA-N 436.600 4.029 10 20 IICD CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCc1ccc(N(C)C)c(F)c1 726248841 CSSGNNGVRPXXOF-UHFFFAOYSA-N 428.483 4.460 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726272312 HVIUNFAWEWUWPU-AZUAARDMSA-N 432.609 4.320 10 20 IICD COc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1OCc1cccnc1 726463731 XOJVKQVRDVCPPR-UHFFFAOYSA-N 436.581 4.482 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1SC(F)F 726564890 VGHJOFVETAJRLQ-UHFFFAOYSA-N 429.439 4.397 10 20 IICD CC(C)(C)SCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 727401817 VAWWOCDQOMUCDL-OWBHPGMISA-N 428.670 4.377 10 20 IICD CCCCOc1ccccc1NCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC 727827909 OHGIYOMBZKMECK-UHFFFAOYSA-N 444.601 4.488 10 20 IICD Cc1ccc(C(=O)N2CCC(NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)cc1 731121571 XZPKDJFYBATXHU-UHFFFAOYSA-N 448.611 4.335 10 20 IICD CC(C)c1nn(C)c(Cl)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 741563978 PPRARSOXVZMQLA-UHFFFAOYSA-N 426.895 4.197 10 20 IICD Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2C)cc1 742798755 QICLOVYBONBICR-GOSISDBHSA-N 440.494 4.489 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 743141784 BMHXLRDQCVRNOL-UHFFFAOYSA-N 439.581 4.090 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)cc1F 743599216 RPIOPZHIBAPOGO-OAHLLOKOSA-N 441.507 4.291 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 743718142 IQCHGCMBROGPQX-VWLOTQADSA-N 442.515 4.143 10 20 IICD CCCNC(=O)Nc1ccc(CC(=O)N(CC)Cc2cc(Br)ccc2O)cc1 743809285 PBDNHMAPSNULSH-UHFFFAOYSA-N 448.361 4.277 10 20 IICD CCS[C@H]1CCCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 748039600 NYGPRHPCDBGMDE-HNNXBMFYSA-N 440.612 4.002 10 20 IICD O=C1CCCCN1Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 750308204 HQWYFJKRIKNJMI-QFIPXVFZSA-N 437.540 4.118 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 756454949 GRYZTVFMGJRJHC-CABCVRRESA-N 433.346 4.118 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 759511397 KOUYSPHHHNGZEG-UHFFFAOYSA-N 449.457 4.388 10 20 IICD O=C(Nc1cnccc1-c1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 760203825 JTYWYCSHUHUICI-UHFFFAOYSA-N 427.460 4.215 10 20 IICD C[C@H](Cc1ccccc1C(F)(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762314728 FTKYQQPVVNHLMP-GFCCVEGCSA-N 426.822 4.460 10 20 IICD CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCC(CO)CC2)cc1 768099947 XQNAOXOTAZTEKN-FQEVSTJZSA-N 429.586 4.464 10 20 IICD Cc1nn2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cnc2c1Cl 776083302 OSGYSAKQLFCEFE-UHFFFAOYSA-N 440.337 4.269 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(NC(=O)OC)cc3)sc2C)cc1 777665367 GPYIKKQMCNEKET-UHFFFAOYSA-N 447.538 4.496 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F 779538438 WOBIYXBTBCFTSU-FYJQUHEMSA-N 431.414 4.333 10 20 IICD CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 783015631 DCESHQPZRUONDE-HOTGVXAUSA-N 427.504 4.097 10 20 IICD COc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c(O)c1 794378534 XTYSIDDOHAANSH-UHFFFAOYSA-N 437.443 4.014 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 797626174 FGBLDEHFOFWZRK-OAHLLOKOSA-N 441.528 4.144 10 20 IICD C[C@@H]1C[C@@H]1c1ccc(/C=C2/SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)o1 814275548 ZPCCTIOFACOOKJ-GZSQHQNZSA-N 448.591 4.059 10 20 IICD CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C 913096083 ADCPQTKRPRBFNI-HNNXBMFYSA-N 441.487 4.168 10 20 IICD CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 917452544 ZGXCWCNORALIJF-UHFFFAOYSA-N 436.474 4.372 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917710588 KJOPXNZGBAKVBK-HOTGVXAUSA-N 439.535 4.003 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(-c4ccccc4F)o3)cc2)C1 917832886 JEDLIAMXMIQYBC-LJQANCHMSA-N 449.526 4.036 10 20 IICD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918123362 VGFJNNLGDICOAC-QGZVFWFLSA-N 449.382 4.037 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCOc3ccccc3)cc2F)C[C@@H](C)O1 918223278 ZCRSIFMQTWSTBQ-KDURUIRLSA-N 429.536 4.050 10 20 IICD CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918324712 SGZMCUSLSAIBHZ-UHFFFAOYSA-N 434.005 4.416 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1 918434816 SZALDSDHXDGNQU-UHFFFAOYSA-N 432.524 4.283 10 20 IICD C[C@@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(N2CCOCC2)cc1 920871911 KXRDKIUMEMULHO-LJQANCHMSA-N 432.524 4.380 10 20 IICD C[C@H](NC(=O)Nc1cccnc1OCc1ccccc1)c1ccc(N2CCOCC2)cc1 920872140 PZWOXDHWBHOXPM-IBGZPJMESA-N 432.524 4.380 10 20 IICD C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 921076483 DYMULEUQPYZUEZ-SFHVURJKSA-N 427.564 4.342 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(CSc4nccn4C)c3)CC2)cc1 1319732803 IWNYLDLARPADHT-UHFFFAOYSA-N 436.581 4.074 10 20 IICD C[C@@H](CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)N(C)C(=O)OC(C)(C)C 1321757477 XJQNBIKBNNIWOR-KRWDZBQOSA-N 431.533 4.343 10 20 IICD CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673991 KXFFBSFKAIPYFO-UHFFFAOYSA-N 446.551 4.350 10 20 IICD CNC(=O)Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 108456873 WGIMDENQWHSXBD-UHFFFAOYSA-N 440.341 4.397 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)cc1 195547137 HSHLQFUBVLBQLX-UHFFFAOYSA-N 430.499 4.318 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 206262629 ZKXFOQLSAJQXBU-LDADJPATSA-N 429.519 4.373 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)c(CN(C)CCO)c3)ccc21 670382075 ZSOGSBSINKXGOJ-UHFFFAOYSA-N 443.975 4.234 10 20 IICD COc1ccc(N2CCC(NC(=O)CSCc3ccc(Br)cc3)CC2)cc1 726562738 MOIDUJARTCTDCQ-UHFFFAOYSA-N 449.414 4.476 10 20 IICD COC(=O)Nc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726694488 DNNMZCMVROTCII-UHFFFAOYSA-N 434.443 4.257 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccccc3OC(F)F)n2)c1 727242132 SBCKDUSLGMHLIV-UHFFFAOYSA-N 427.410 4.121 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(CN4CCCCC4)c3)cc2)CC1 731132226 VLFZYSAGJTWEPN-UHFFFAOYSA-N 448.611 4.164 10 20 IICD O=C(CCC[S@](=O)c1ccc(Br)cc1)NCc1ccc(N2CCCC2)cc1 731868862 AFLQPTZXIHFBER-MHZLTWQESA-N 449.414 4.254 10 20 IICD Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 732887372 IVDLANLUDCYKBD-XUZZJYLKSA-N 436.600 4.283 10 20 IICD CC(C)OC(=O)NCc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 735181985 NWCKOSUGGMRKLN-UHFFFAOYSA-N 442.585 4.196 10 20 IICD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 735393582 OKPOLLNEWYDLHT-UHFFFAOYSA-N 443.547 4.211 10 20 IICD CCN(CC)c1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1F 739454982 DSJUJJVLXMKSRQ-BOPFTXTBSA-N 428.460 4.042 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)ccc21 740828030 CYCNIWKQTIOAMP-HRAATJIYSA-N 443.588 4.280 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1C 743046350 CDEVPALRRDDDQD-UHFFFAOYSA-N 430.477 4.463 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1NC(=O)CC(C)C 743314483 QKXUCKMAHLNLTE-UHFFFAOYSA-N 441.547 4.010 10 20 IICD CO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1cccc(Cl)c1 743555330 VXXZWLFQTXXZGB-ZMPRRUGASA-N 449.954 4.280 10 20 IICD CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cc(Br)ccc1O 744426689 ULOXDJNGGJVZDU-UHFFFAOYSA-N 432.362 4.216 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(F)c(F)cc3Br)CC2)cc1 749776046 AERLPMLFTKLXJB-UHFFFAOYSA-N 425.273 4.088 10 20 IICD CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 750610455 CRFFLUGOECFPDK-UHFFFAOYSA-N 427.520 4.337 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1 752834579 IVBZAESXEPXCLZ-UGKGYDQZSA-N 435.572 4.147 10 20 IICD Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)Cc4ccc(O)c(O)c4)cc3)o2)cc1 753644459 OAMATKKKCAJZPG-MRXNPFEDSA-N 429.476 4.484 10 20 IICD COc1ccc(N2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1F 753861783 VFNPDNVJBFPMBQ-UHFFFAOYSA-N 426.319 4.292 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 753905264 MXTJGCREKCPTMY-QGZVFWFLSA-N 447.576 4.166 10 20 IICD COc1cc(CN2CC[C@H](N[C@H](C)c3cc(Br)ccc3O)C2)cc(OC)c1 756645761 JQMYWASCSNBPLN-PBHICJAKSA-N 435.362 4.097 10 20 IICD CCCCCOc1ccc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 759240914 DXDHYAZXQJXDEX-UHFFFAOYSA-N 442.556 4.244 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(F)c2I)c1 760003793 MYSQKAYDLASSRJ-VIFPVBQESA-N 430.217 4.027 10 20 IICD CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc21 760311223 LXFWIFFJJDPCPG-UHFFFAOYSA-N 433.942 4.494 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3csc(-c4ccco4)n3)cc2F)C[C@H](C)O1 763590723 RSFWNBYEGFFVSO-GJZGRUSLSA-N 444.532 4.155 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccn(-c2ccc(F)cc2F)n1 768253613 LQWQKHLAEHQXAX-UHFFFAOYSA-N 436.256 4.281 10 20 IICD COc1ccc(-c2cc(C(=O)NCc3ccc(O)c(O)c3)c3ccccc3n2)cc1OC 768914487 XJOZLQCZFNCHIS-UHFFFAOYSA-N 430.460 4.260 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccccc1O)c1ccccc1Br 769355521 BCWDVJIRJGEOTL-UHFFFAOYSA-N 425.282 4.337 10 20 IICD Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccccc2)n1 772269139 LEHYIMVWXOMIRA-QGZVFWFLSA-N 426.467 4.087 10 20 IICD CSc1cc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)ccn1 772490525 VVTRRYOCVVEYQW-PTNGSMBKSA-N 449.648 4.163 10 20 IICD COc1ccc(CC[C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC 774870044 QTINPTKQKFYHGP-SFHVURJKSA-N 430.501 4.314 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3cccc4cccnc34)cc2F)C[C@@H](C)O1 776283751 VMVFFZHXLJPMRV-CALCHBBNSA-N 439.556 4.396 10 20 IICD C[C@](O)(CCNCc1cc(Br)cc(Br)c1O)c1ccccc1 779226486 SHQCFQOYXUJUFL-KRWDZBQOSA-N 429.152 4.305 10 20 IICD COc1ccc(N2CCCN(C(=O)c3sc(NC(=O)OC(C)(C)C)nc3C)CC2)cc1 782246562 JERYZPLXIDSQDM-UHFFFAOYSA-N 446.573 4.160 10 20 IICD COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl 782429061 BNLAFPXTKOGEIY-UHFFFAOYSA-N 441.915 4.175 10 20 IICD CSCc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 782558085 KAPCXVCACNFITD-CALCHBBNSA-N 431.577 4.302 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F 784649899 JDJVRQBZWNHENR-UHFFFAOYSA-N 445.510 4.339 10 20 IICD CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cc(Br)cc(C)c2O)cn1 792191143 WWCGQMMJZDVILK-OAQYLSRUSA-N 444.373 4.415 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 797647460 HRXFEGSGUUWMOQ-QLJPJBMISA-N 434.361 4.233 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(C(F)(F)F)cc1 803662567 YARHMXSMPVWBHM-IBGZPJMESA-N 439.453 4.040 10 20 IICD Cc1cccc(C(NC(=O)C(=O)NCCCSc2nccs2)c2cccc(C)c2)c1 806278848 XLQSLIQJRXIIDE-UHFFFAOYSA-N 439.606 4.264 10 20 IICD C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](c1ccccc1)N(C)C 806685042 NWOLPOKQXRUVQC-VGOFRKELSA-N 446.542 4.247 10 20 IICD CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 806685400 SIYYSFCAFIJFHD-UHFFFAOYSA-N 448.470 4.049 10 20 IICD CN(C(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccccc1 814359801 SOWLYKCKGNUQPK-FQEVSTJZSA-N 432.524 4.213 10 20 IICD COc1cc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)c(O)c(C(C)(C)C)c1 818286543 SYMZYWYAWMGNDV-UHFFFAOYSA-N 442.585 4.128 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 914578251 PCTJGBQBRURZDM-UHFFFAOYSA-N 430.960 4.351 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 915328071 JXWMGTVGMKDEBK-UHFFFAOYSA-N 446.617 4.274 10 20 IICD O=C(NCc1ccc(F)cc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 916371282 AYTJZNQADGKJRV-QGZVFWFLSA-N 426.410 4.441 10 20 IICD COc1ccccc1[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCCC1 918057057 BXZOBHNQSCKGHG-DEOSSOPVSA-N 436.600 4.272 10 20 IICD Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c(C)n1-c1ccccn1 918362793 XLWZGOXASJRFER-UHFFFAOYSA-N 425.492 4.066 10 20 IICD COCCOc1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 918423441 MJNBJKIJNVQCNK-UHFFFAOYSA-N 432.480 4.382 10 20 IICD COc1ccccc1Nc1ncccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920888746 ZPOGYFDMRTUIGJ-GOSISDBHSA-N 432.524 4.161 10 20 IICD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 1116291779 VNXDFYQOKBIMOE-UHFFFAOYSA-N 426.973 4.224 10 20 IICD CC(C)(C)c1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)C2 1251310863 GNPNGYCAXOTHSD-UHFFFAOYSA-N 439.575 4.352 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)nc4)C3=O)cc2F)CC1 1318195798 ZJINLRPURUXEOK-GZTJUZNOSA-N 448.976 4.032 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2ccc(Cl)cn2)cc1 1318473969 VSHFURYSGBKXPQ-UHFFFAOYSA-N 441.890 4.433 10 20 IICD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1801752101 LDGLITAMEGPMNM-FZDIXFNVSA-N 442.943 4.197 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c(C)n1C 10732388 DWIAWZRGAYQIAX-UHFFFAOYSA-N 435.863 4.110 10 20 IICD Cc1nc(COc2ccc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)cc2)no1 11752941 IVTRQMOEMFFJEQ-UHFFFAOYSA-N 445.475 4.404 10 20 IICD CCc1ccc([C@@H](NCc2cccc(OC)c2O)c2cccc(S(C)(=O)=O)c2)cc1 236970304 XVAODUSYLRVCOE-HSZRJFAPSA-N 425.550 4.246 10 20 IICD COc1ccc(NC(=O)c2nnc(CN(c3ccc(OC)c(F)c3)C(C)C)s2)cc1 725815807 BDODJMGHPFJFKZ-UHFFFAOYSA-N 430.505 4.362 10 20 IICD CN(CCCNC(=S)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 726486662 RTARRNWMLACWAQ-UHFFFAOYSA-N 428.671 4.091 10 20 IICD FC(F)Oc1ccc(N2CCC(Nc3cc(-c4ccccc4)nc4ncnn34)CC2)cc1 726594740 PDOXDFLWNBXQTL-UHFFFAOYSA-N 436.466 4.474 10 20 IICD CC(=O)c1ccc(OCCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726625921 QLLRPJFJQIDGIG-UHFFFAOYSA-N 446.494 4.435 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)c1 728311928 CFGKWZZSGRICPG-DJKKODMXSA-N 441.509 4.434 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)cc1 728311949 DJBWKIUSWJTPOV-UDWIEESQSA-N 439.537 4.464 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)c1 729061315 APCHDEPAJRICKM-SFHVURJKSA-N 432.520 4.392 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)cc2)CC1 731015638 YYUIZXQMCZXZBC-SFHVURJKSA-N 443.588 4.439 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1F 731347010 HQQLANINCXZQJM-KRWDZBQOSA-N 431.577 4.357 10 20 IICD Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 738978749 WZTFRCFOFCTSPP-AZUAARDMSA-N 425.548 4.183 10 20 IICD CCOc1ccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c(O)c1 742383074 SMIPLZQAEIDFJT-HSZRJFAPSA-N 429.513 4.213 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(OC3CCC3)cc2)c1 742636329 IXRHWZAZRCFOGJ-UHFFFAOYSA-N 429.520 4.362 10 20 IICD CCc1ccc([C@@H](COC)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 743635125 NWLNVADXHWCSBX-LJQANCHMSA-N 437.487 4.099 10 20 IICD C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C(=O)N1c1ccccc1 743954976 NEDSSRVSUOPIMX-HTAPYJJXSA-N 441.491 4.351 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(c2nc3ccccc3s2)CC1 745785070 HBUXVXRSLLAJQP-UHFFFAOYSA-N 436.581 4.349 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 746012051 VCJBDQHCDZAFMY-UHFFFAOYSA-N 431.580 4.289 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)CSc3nc4cc(F)c(F)cc4[nH]3)cc2)C[C@@H](C)O1 747365453 RFGUZCBBTZXYFC-CHWSQXEVSA-N 432.496 4.186 10 20 IICD O=[N+]([O-])c1cccc([C@H](O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 749663254 OFXHVNWYHKYLQV-TZIWHRDSSA-N 425.510 4.463 10 20 IICD CC(C)Oc1c(F)cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1F 752893519 WRGCOHPVNGFIQF-UHFFFAOYSA-N 433.499 4.282 10 20 IICD COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1 753923461 HXRFRISQWOYXFJ-UHFFFAOYSA-N 432.401 4.009 10 20 IICD COc1ccc(O)c([C@H](C)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 756431649 OESOIZOPKOJDKL-SFHVURJKSA-N 436.531 4.112 10 20 IICD C[C@@H](NC[C@@]1(N(C)C)CCSC1)c1cc(Br)cc(Br)c1O 756635061 DHNHCWZZWRQVAB-BMIGLBTASA-N 438.229 4.005 10 20 IICD C[C@H](NC[C@H](CO)Cc1ccco1)c1cc(Br)cc(Br)c1O 756662280 ZSOGJUPLGGXOOK-WDEREUQCSA-N 433.140 4.012 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)cc1)C1CCCCC1 760097548 JNNINKIKJMVMAM-UHFFFAOYSA-N 449.473 4.451 10 20 IICD C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1 765287126 NNJYXQPMWUQAPD-LJQANCHMSA-N 444.019 4.076 10 20 IICD Cc1nc(COc2cccc(C(=O)NCc3cccc(Br)c3O)c2)cs1 765731013 FOXJLUYROGXHRO-UHFFFAOYSA-N 433.327 4.429 10 20 IICD COc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1C1CC1 766607573 ZPFHLZVYAIALBV-UHFFFAOYSA-N 429.520 4.317 10 20 IICD COc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)c2ccccc2C1=O 767921658 KNQJGLHJUVZCIW-NKFKGCMQSA-N 440.499 4.259 10 20 IICD CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1 769885433 KQRRDGVDPFIOKN-KRWDZBQOSA-N 438.959 4.416 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 770598642 GSHLJUTYOYVPFC-UHFFFAOYSA-N 426.517 4.298 10 20 IICD CCOc1ccc(Oc2cc(CNCc3ccc(N4CCN(C)CC4)cc3)ccn2)cc1 771825210 ZZLBLEBSUCPHMY-UHFFFAOYSA-N 432.568 4.314 10 20 IICD CN1CCN(c2ccc(CN[C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)cc2)CC1 771833017 QXIXRFLIUWUPAO-AREMUKBSSA-N 443.570 4.458 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCNC(=O)c2ccccc2F)cc1 772070852 NWYLKJOLDNLJAX-UHFFFAOYSA-N 433.487 4.467 10 20 IICD CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(Cl)c1 772071605 ZLYTWNZSNRXWMG-UHFFFAOYSA-N 447.878 4.461 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 772487494 HTOCYBKLURUSHL-ICSRJNTNSA-N 432.609 4.462 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCCSc1nccs1 774242291 UFOQSLCHWZTCEL-DOMZBBRYSA-N 444.420 4.463 10 20 IICD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 783244334 JTUVTXSSSIIDLL-UHFFFAOYSA-N 429.480 4.310 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(N(C)C)cc1 785603305 TVTYXWSESWILGZ-KRWDZBQOSA-N 435.499 4.178 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(/C)c3cccc(C(F)(F)F)c3)cc2)CC1 786257605 RGGNKFLSQPEKLE-VKAVYKQESA-N 445.485 4.094 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2Cl)C1 800571388 JBLYWWDYPYCQIF-GOSISDBHSA-N 442.003 4.467 10 20 IICD CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1C 800635877 AGKVWADXSOIRQI-JKSUJKDBSA-N 445.995 4.307 10 20 IICD Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636814 OEYBFLPEFCFXFA-ZDUSSCGKSA-N 435.355 4.188 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 801550128 OSHGMVWLZZEAGG-UHFFFAOYSA-N 439.537 4.178 10 20 IICD CC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 804990037 SYKUXDYYOVYPMS-DYESRHJHSA-N 427.545 4.052 10 20 IICD C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(N2CCCCC2=O)cc1 811974846 WIYDMMRZJZDJOX-AWEZNQCLSA-N 446.345 4.232 10 20 IICD CCC(=O)N[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 914674472 MEXSSSPDNWKROA-GFCCVEGCSA-N 425.312 4.042 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 914845878 WOGIHIZEYSYJFA-UHFFFAOYSA-N 434.539 4.417 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C\c3ccc(N4CCOCC4)cc3)nc(O)c2c1C 916153673 UDLKZUKTPNKYRS-RVDMUPIBSA-N 445.928 4.065 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 917310143 UDEQFVRUXPIONP-UHFFFAOYSA-N 430.913 4.119 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c12 917710667 CNQUTVJUBMAKHV-KBPBESRZSA-N 438.503 4.091 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2cccnc12 917871428 PBHXMJZHFFZTHJ-UHFFFAOYSA-N 439.518 4.103 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 919713236 SJVATXZYAPSQDF-SFHVURJKSA-N 432.351 4.263 10 20 IICD CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(F)c1 919954139 FNERNDLFHLUWLD-UHFFFAOYSA-N 448.501 4.413 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 920345048 TXFZAFKMSVQOND-UHFFFAOYSA-N 430.552 4.312 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1C 920748579 BVWAIESJAAANDX-HSZRJFAPSA-N 445.563 4.241 10 20 IICD C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 920872024 MXQNJUDXWVRHPU-GOSISDBHSA-N 436.556 4.078 10 20 IICD Cc1cc(-c2nnc(CS(=O)(=O)NC3CCC(C)CC3)o2)c(C)n1-c1ccccc1 1117164934 KBEKGFWNFLTXCP-UHFFFAOYSA-N 428.558 4.142 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCc1ccc(C)c(F)c1 29449729 MDIZVJGKTHTYFB-UHFFFAOYSA-N 441.528 4.197 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2C)cc1 109190524 IHQIJNVJOBEMRT-LJQANCHMSA-N 433.552 4.430 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)ccc21 482368720 VJDLJTZNXZXBTO-SANMLTNESA-N 449.595 4.480 10 20 IICD Cc1ccnc(-c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)cc2)n1 536185877 REGJMNVIJFMUJG-UHFFFAOYSA-N 428.517 4.229 10 20 IICD O=C1/C(=C\c2ccccc2OCc2ccccn2)SC(=S)N1CCc1ccccn1 726197515 SZODUMKQSCOBOV-RCCKNPSSSA-N 433.558 4.500 10 20 IICD CN(CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Cc1ccccc1 726610310 KZOLFLKPLYUPCS-UHFFFAOYSA-N 446.542 4.078 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c(F)c1 727245012 ADYZHUGIKITBJG-UHFFFAOYSA-N 426.466 4.215 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(NC(=O)c4cc(C)oc4C)CC3)c2C)cc1 727402640 IWQAPLAGMRLZAX-UHFFFAOYSA-N 449.551 4.347 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 728548864 IKQANTTYFRZRPW-UHFFFAOYSA-N 446.551 4.075 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2F)CC1 730135331 VDGARADZYNRSSX-QFIPXVFZSA-N 442.554 4.023 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 731048041 DMRITKIXEAJMHO-UHFFFAOYSA-N 430.593 4.075 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2nc(-c3ccoc3)no2)c(C)n1-c1cccc(F)c1 740285967 QPYUQQCXGYHPCL-UHFFFAOYSA-N 437.427 4.235 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@H]1CCc2ccccc2C1 743283777 DYMYDZBNHPMDGU-MZYRPWKCSA-N 436.537 4.165 10 20 IICD CN(Cc1ccccc1O)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 743313574 VYUBVGSZUHTLST-UHFFFAOYSA-N 426.314 4.101 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC 743871233 XYMMLZHJUHLGIA-CABCVRRESA-N 435.362 4.251 10 20 IICD COc1ccc([C@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)cc1 745903836 IWZFIDFLGKEXDG-RBUKOAKNSA-N 445.510 4.465 10 20 IICD COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 746479283 NPHIXSLDCXPHFV-ILBGXUMGSA-N 445.519 4.409 10 20 IICD Cc1cc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 746804254 WTZZNSGIHVXUMX-UHFFFAOYSA-N 430.957 4.473 10 20 IICD O=C1CCCCN1Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 750308203 HQWYFJKRIKNJMI-JOCHJYFZSA-N 437.540 4.118 10 20 IICD Cc1sc(NC(=O)[C@H]2CCCCS2(=O)=O)c(C(=O)OC(C)C)c1-c1ccccc1 753486748 JLNTXIMJNFCAIU-MRXNPFEDSA-N 435.567 4.195 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 755983330 MLHDUTLKFKVGNP-UHFFFAOYSA-N 428.304 4.086 10 20 IICD COc1ccccc1N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1=O 757286064 KLMWQZMJXPOANR-HXUWFJFHSA-N 437.540 4.051 10 20 IICD Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc(-c4sc(C)nc4C)cs3)cc2F)c1 757552835 ZEPHGKRPSZNEIV-UHFFFAOYSA-N 449.558 4.317 10 20 IICD Cn1c(=O)oc2c(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cccc21 757801642 TZCWRTRNXAWKET-UHFFFAOYSA-N 430.420 4.342 10 20 IICD COc1ccc(Oc2cc(CNC(=O)NCCCSc3nccs3)ccn2)cc1 759551174 SVBBWLQYEQMERO-UHFFFAOYSA-N 430.555 4.321 10 20 IICD C[C@H]1CN(Cc2ccc(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 764767313 IJZIHXGXHNSMEO-HBMCJLEFSA-N 441.591 4.122 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCC4(CC3)C(=O)Nc3ccccc34)cc2F)C[C@H](C)O1 765124523 BCOJKMZWVPOKGC-ICLJKQINSA-N 437.559 4.362 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(N4CCCC4=O)cc3)cc2F)C[C@@H](C)O1 765125425 DQUYTUSFNWXIFY-OTWHNJEPSA-N 425.548 4.417 10 20 IICD C[C@H](NC(=O)N1Cc2ccc(Br)cc2C1)c1ccc(N2CCOCC2)cc1 765240277 IYDREKHBMQLHQS-HNNXBMFYSA-N 430.346 4.072 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)c2C)cc1 769377296 XZRZTINDKGNAJQ-UHFFFAOYSA-N 446.507 4.333 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)cc1F 773288275 XDEHJECMQICICC-QFIPXVFZSA-N 427.499 4.133 10 20 IICD CC(=O)N1CCN(Cc2ccc(NC(=O)c3sccc3-n3c(C)ccc3C)cc2)CC1 777496737 VEKDCKUMSXOKIC-UHFFFAOYSA-N 436.581 4.072 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC(Oc4cncc(Cl)n4)CC3)c2C)cc1 779154007 NWJRQMXUBRRICC-UHFFFAOYSA-N 440.931 4.230 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C(F)(F)F)CC[C@@H]3C)cc2F)C[C@@H](C)O1 779979524 BPLOLVMGYLBVAI-LJIGWXMPSA-N 431.474 4.312 10 20 IICD COC(=O)COc1cccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 783217786 YWIPNUVZOOPISN-UHFFFAOYSA-N 432.436 4.231 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccccc3C(F)(F)F)cc2)CC1 786261356 BJDRDXHBMRMCFB-KRWDZBQOSA-N 447.501 4.184 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1nc(-c2ccco2)oc1C 791245670 DGGDQJNTTIVHTA-UHFFFAOYSA-N 439.512 4.174 10 20 IICD C[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC(=O)OC(C)(C)C 792377840 XUADTWQTWUTBOF-OAHLLOKOSA-N 425.489 4.070 10 20 IICD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 802552575 IBPIXAUKAJTLMX-UHFFFAOYSA-N 448.489 4.433 10 20 IICD COc1cc(OC)cc(Oc2cccc(CNC(=O)NCc3cc(OC)ccc3O)c2)c1 806810546 NLMKQKLFTMBXCB-UHFFFAOYSA-N 438.480 4.210 10 20 IICD CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)ccc2s1 808113882 KGGSHVLJFHMMTJ-UHFFFAOYSA-N 429.878 4.377 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)Cc2ccccc2O1 813584456 DFTMAOZAKJRXOL-MRXNPFEDSA-N 449.473 4.035 10 20 IICD COc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OC(C)=O)c(OC)c3)SC2=S)c1 814276974 PGALTOBKEVUXQL-ZDLGFXPLSA-N 445.518 4.044 10 20 IICD CSC[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 817060771 MTBDXHHEBMUHQF-LUYJPIOASA-N 440.681 4.331 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1cn2ccccc2n1 913359792 DDZMYPTYULDGPT-LFIBNONCSA-N 443.575 4.121 10 20 IICD Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)COc1ccc(Br)cc1 916633198 PHAXXUCZHHQNQH-GOSISDBHSA-N 432.314 4.190 10 20 IICD CCOC(=O)N(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 919777640 OORCPFZMOQECAQ-FQEVSTJZSA-N 427.501 4.198 10 20 IICD O=C(NCCCCOc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1323351536 BTDZDSYCMBYEAN-GOSISDBHSA-N 433.499 4.415 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C(=O)c2cc(Br)ccc21 16878145 FPXNPKIBHIWGHL-UHFFFAOYSA-N 442.357 4.058 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 303047603 URKCEYUTRBUEBT-SFTDATJTSA-N 445.563 4.274 10 20 IICD CCOc1ccc(C2(CNC(=O)NCc3c(C)c4ccccc4n3C)CCOCC2)cc1 471726190 LSTRKCIXUVLNAM-UHFFFAOYSA-N 435.568 4.433 10 20 IICD C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOCC2)cc1 726244645 DZPNWRMXZZPXGO-MOPGFXCFSA-N 442.991 4.063 10 20 IICD CSc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 727244938 NUESBHSLBULDNJ-UHFFFAOYSA-N 437.543 4.430 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1 728746506 URKLKCUWQKSFRW-UHFFFAOYSA-N 439.453 4.416 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 729036972 MWABCSUJWXRMEX-CYBMUJFWSA-N 439.434 4.139 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1F 731363338 DHKLQWPRKGVHMP-LJQANCHMSA-N 427.442 4.224 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NC3(c4ccc(Cl)cc4)CC3)cc2F)CC1 732704560 YQDGZZYPGFMRDD-UHFFFAOYSA-N 430.955 4.110 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2csc(-c3ccoc3)n2)cc1 737820943 MRAQHTONMSPPNP-OAQYLSRUSA-N 425.554 4.219 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)ccc21 739798062 WAFHGWAMSJQNHT-UHFFFAOYSA-N 443.588 4.470 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)cc1 742751423 UOIKJPMFBBOKHN-FQEVSTJZSA-N 431.964 4.331 10 20 IICD C[C@H](c1ccncc1)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 743722949 DKBIDMDTOJIHPR-CPZHOGDASA-N 431.608 4.344 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(Cn2cccn2)c1 745701375 DXQRRGGPWFJQLV-UHFFFAOYSA-N 443.345 4.131 10 20 IICD CCOc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 745906014 UYSDMEBMKFZLCQ-GOSISDBHSA-N 433.499 4.497 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C 749653707 KDGAIPJPQFSUHV-UHFFFAOYSA-N 435.568 4.331 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 753555668 HXBXYJGDMZNNDS-UHFFFAOYSA-N 434.544 4.027 10 20 IICD Cc1cc(-c2csc(NC(=O)[C@H]3CCCCS3(=O)=O)n2)c(C)n1-c1ccc(F)cc1 753614332 VQQRLDRRFYTMEZ-LJQANCHMSA-N 447.557 4.263 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc4ccccc4o3)sc2C)s1 753978435 OWGBQNCAEYJEFW-UHFFFAOYSA-N 447.563 4.363 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2cc(Br)cc(F)c2O)cc1 756359255 OTHALFNRDZWQFB-MGPUTAFESA-N 437.353 4.326 10 20 IICD C[C@@H](NCCc1cn2c(n1)CCCC2)c1cc(Br)cc(Br)c1O 756401377 HUBRZNZDGOJWEF-LLVKDONJSA-N 443.183 4.343 10 20 IICD COc1ccc([C@@H](N[C@H](C)c2ccc(F)cc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622406 WUYPUTMPEFADBY-IQMFZBJNSA-N 429.513 4.384 10 20 IICD C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756713884 WFPKOEOAXXDUIF-BJOHPYRUSA-N 433.115 4.441 10 20 IICD COc1cc(N2CCN(Cc3ccccc3OCc3cccnc3)CC2)cc(OC)c1OC 761220210 WMVOLTWIUHXAGB-UHFFFAOYSA-N 449.551 4.009 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 763347546 YMUXPKSIAPZFLD-INIZCTEOSA-N 440.525 4.025 10 20 IICD CCC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCc2sccc2C1 765658859 QNRKRBQQQAZCNZ-UTKZUKDTSA-N 445.604 4.128 10 20 IICD Cc1ccc2c(c1)CCCN2C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769647867 SSXQIQSXMFQDGD-UHFFFAOYSA-N 428.535 4.156 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)c1 772444823 JAGRLZWXWGNYIS-UHFFFAOYSA-N 445.317 4.194 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1 772697868 QLBRIWJFEMRAHP-IBGZPJMESA-N 435.572 4.399 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2cncc(Br)c12 773656897 CFQHJEIKFXRQTH-UHFFFAOYSA-N 442.313 4.080 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCC(=O)N4C)SC2=S)cc1F 773902622 YUWKHFOTSYMYGF-VCHYOVAHSA-N 428.510 4.149 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2nn(C)c3ccccc23)cc1 776178623 ZBIGIRRWMLJUCZ-UHFFFAOYSA-N 431.540 4.187 10 20 IICD CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1 782094837 PLWABRSPLATJQW-QGZVFWFLSA-N 444.963 4.151 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 783326237 HHDBLPWGDHQZDC-UHFFFAOYSA-N 447.539 4.019 10 20 IICD C[C@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(N2CCOCC2)cc1 788740611 BVJLWGHDYYBABV-INIZCTEOSA-N 439.462 4.480 10 20 IICD CC1=C(Br)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 797444521 DBWVUQWTLUKCHH-UHFFFAOYSA-N 444.320 4.341 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)c2nccs2)c(C)n1-c1ccc(Br)cc1 801220894 SVFAVUYGKZOXPC-UHFFFAOYSA-N 448.342 4.133 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1F 806772921 WZVAEWIRUUKOQR-GIWBLDEGSA-N 425.548 4.386 10 20 IICD Cc1cc(Br)cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O 814177861 RQONHHHKTNHQGV-HNNXBMFYSA-N 433.115 4.188 10 20 IICD CCOc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(C)C1=O 814269906 MLYPEQRQCRCNMR-BJMVGYQFSA-N 437.178 4.441 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C[C@H]1C 831877335 HKTMRYOMJJMLRE-CQSZACIVSA-N 427.551 4.217 10 20 IICD Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c12 844271160 VKFATUCMGQVPGG-NRFANRHFSA-N 447.583 4.042 10 20 IICD COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@@H]2c2cc(OC)c(OC)cc2O)cc1 877851982 QYIJIWXYJFXTIQ-VWLOTQADSA-N 448.519 4.252 10 20 IICD CCOc1ccc(OC(C)(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917710524 JQAQXFVZJZUKTC-ROUUACIJSA-N 444.547 4.312 10 20 IICD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917712298 WRWKQUVAXYMIMK-ZDUSSCGKSA-N 427.303 4.053 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc4cccnc34)n2)cc1 917846948 JMRQPEPEPGEXPW-UHFFFAOYSA-N 439.518 4.254 10 20 IICD Cc1cc(CCNC(=O)NCc2cccc(N3CCOC3=O)c2)c(C)n1-c1ccccc1 919654129 BTCLRFHIDHQFML-UHFFFAOYSA-N 432.524 4.093 10 20 IICD O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 920493996 HWXKMOPMUHLPRU-UHFFFAOYSA-N 433.508 4.458 10 20 IICD COc1cc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OCCC(C)C 1318339130 KRASECDIOUQOGN-UHFFFAOYSA-N 429.580 4.301 10 20 IICD C/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1 1823440630 UJQPXSXFPBYGOO-WRFKIARRSA-N 434.565 4.353 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 10963519 XEOVDUKWDOAEED-LJQANCHMSA-N 443.613 4.026 10 20 IICD COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc(Cl)c1OC 13351790 JTMNAEYTVIAIAQ-UVTDQMKNSA-N 429.947 4.203 10 20 IICD C[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(N2CCOCC2)cc1 109180557 ASISQQCCYFHMHS-SFHVURJKSA-N 434.536 4.404 10 20 IICD Cc1c(CNC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n(C)c2ccccc12 472223899 PUGBYJIVNGBLQW-UHFFFAOYSA-N 438.959 4.198 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccnc(OCC(F)(F)F)c3)ccc21 484622523 KLALKSPLKOXYFN-UHFFFAOYSA-N 435.446 4.171 10 20 IICD CCC[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)C(=O)N1CCc2sccc2C1 727226088 ZAOSBUYIRMYOBH-OAQYLSRUSA-N 442.629 4.147 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 727251320 RNWRGVZZLPKNDM-UHFFFAOYSA-N 443.865 4.320 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)c1 729879009 JKKMAKGITKCRHQ-SFHVURJKSA-N 448.519 4.413 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@H](C)Oc3cc(C)ccc3Cl)cc2F)CC1 730193038 BKYXJTKSNJABLX-KRWDZBQOSA-N 433.955 4.013 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1F 731363854 CFYLJNTZAHEFFT-JOCHJYFZSA-N 426.580 4.036 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1 731687667 OFKSBFRPGIKRRB-QFBILLFUSA-N 431.964 4.469 10 20 IICD CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c2ccccc21 732028028 KXONCIBKIVROCR-JXAWBTAJSA-N 443.619 4.213 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 732250157 XNUDLXKCQSBNAY-YOEHRIQHSA-N 435.927 4.218 10 20 IICD CC1CCN(C(=O)c2ccc(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nc2)CC1 732920909 FUTOJOUUMPUUBS-OALUTQOASA-N 440.563 4.319 10 20 IICD Cc1cc(OC(F)F)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 733922293 VJXSBRICOFNFRU-VXGBXAGGSA-N 428.476 4.341 10 20 IICD COc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(Cl)c1 742750383 MLZGYSXIERFAKS-FQEVSTJZSA-N 447.963 4.410 10 20 IICD COc1ccc(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 742799718 MYVMGHDAWQCPIF-QGZVFWFLSA-N 434.483 4.023 10 20 IICD CCNc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] 743834988 CHOYAGQKGYSOAU-OAHLLOKOSA-N 434.443 4.027 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F 743890402 ZYJJZTLCHFPIRE-UHFFFAOYSA-N 435.446 4.015 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(CC(F)(F)F)cc3)cc2)CC1 743906736 USNSDTTWWGJBCE-UHFFFAOYSA-N 433.474 4.283 10 20 IICD Cc1ccc([C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 745665141 QLLMCKLWESERHS-CABCVRRESA-N 431.444 4.037 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccccc2F)C1 745903600 HSKIWZAJTFWDDX-IIBYNOLFSA-N 449.473 4.179 10 20 IICD CN(C[C@H]1OCCc2ccccc21)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905851 RQXCVSKYFNYDHP-XMSQKQJNSA-N 445.510 4.212 10 20 IICD CC(C)Oc1cc(Br)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 746582856 MTLPXFRDOAMONR-UHFFFAOYSA-N 447.373 4.345 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4c(cnn4C)c3)c2C)c1 747732187 BAIPDNNMEAKGOW-UHFFFAOYSA-N 434.521 4.137 10 20 IICD Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 749407620 VBZVGCLQNQJXAD-UHFFFAOYSA-N 445.585 4.139 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nc(-c3cnn(C)c3)oc2C)cc1 752625727 FXFICTDVZQEPGD-UHFFFAOYSA-N 445.523 4.305 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)CC2)cc1F 753729617 CJWLDGNSEPOTHB-UHFFFAOYSA-N 443.519 4.452 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 755606414 HWOPKOFIEFMCGL-UHFFFAOYSA-N 439.556 4.324 10 20 IICD CCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756514347 FUZDLLSUVUCILI-IIBYNOLFSA-N 426.517 4.359 10 20 IICD C[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCS1 757642237 AVOGYHIJXBAYHT-MLJWKTOOSA-N 426.654 4.084 10 20 IICD COc1ccc(OC)c(CCCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 759617714 GCEIXHMSVFBJGG-UHFFFAOYSA-N 425.573 4.468 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4ccc(C)o4)n3)CC2)cc(OC)c1OC 759888019 YVCTZSQEIKIOPU-UHFFFAOYSA-N 429.542 4.060 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 762229454 WZTRZTPRUBHCJA-UHFFFAOYSA-N 425.254 4.134 10 20 IICD CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1 765283672 WMIZJGMGBAZEPF-FQEVSTJZSA-N 436.337 4.369 10 20 IICD CN(c1ccc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1)C1CCCCC1 765708185 KKQWYHUJYVDDTJ-HXUWFJFHSA-N 427.511 4.300 10 20 IICD C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1cccc(Br)c1O 765757664 SLMACHCTSPJRSC-SNVBAGLBSA-N 429.108 4.001 10 20 IICD CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 769119033 HMGDUXIQNOKMFL-UHFFFAOYSA-N 442.604 4.384 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1OCC(F)F 774082495 UOYMEFQGGKXPHE-UHFFFAOYSA-N 437.462 4.000 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 777282176 MSMWWZACDVMHAT-UHFFFAOYSA-N 443.538 4.455 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OCC 782895492 FPSBMVABOOUTON-UHFFFAOYSA-N 440.540 4.490 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3F)nc2)C2CC2)cc1 787471395 RPEWLCDYZWDVNZ-UHFFFAOYSA-N 448.498 4.209 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C\c1ccc(OC)c(OC)c1 791247394 XYTPFMLNKWUIDR-POHAHGRESA-N 440.540 4.106 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4cc(Br)ccc43)cc2)C1 794795896 JLKGGVWAEHBEFJ-GCJKJVERSA-N 442.401 4.318 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 795397707 XVJNYIQJLFUXDC-UHFFFAOYSA-N 437.005 4.397 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc(Cl)ccc3OCC3CC3)cc2)C1 797464829 ICCBICOCFLERLS-IBGZPJMESA-N 427.976 4.120 10 20 IICD CC(C)(C)CCCCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 804287409 VFTTZYRACPTPAR-UHFFFAOYSA-N 427.568 4.165 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)[C@@H]3c3cccs3)cc2F)C[C@@H](C)O1 805839851 IRHONWHQCXHZBT-MFEFFIJZSA-N 445.604 4.200 10 20 IICD CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807290152 RAALUIHNOKWKLT-UHFFFAOYSA-N 425.532 4.005 10 20 IICD CN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916631519 IRCOMGTVQIYQAA-UHFFFAOYSA-N 443.416 4.162 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 917310325 RNVJJRIXQTYCHG-UHFFFAOYSA-N 436.942 4.180 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCSc3ccc(Cl)cc3)cc2)C1 917833199 NAMXEHBIOMSLRE-GOSISDBHSA-N 446.016 4.230 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(CCc2ccccc2)CC1 918225006 ZIDIOVYABQBEFJ-UHFFFAOYSA-N 425.548 4.217 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C(F)(F)F 918293640 BDXFUDSUFKIYNI-UHFFFAOYSA-N 432.398 4.480 10 20 IICD CCCCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1 918547389 YOIJKHWXOIBORX-FQEVSTJZSA-N 438.572 4.197 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1C 918660531 OJAZQMBCLUWDOL-UHFFFAOYSA-N 441.553 4.425 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCOC1CCCCC1 918680512 PKJKOLFYTDCKBS-VKAVYKQESA-N 438.640 4.195 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](c2cccs2)N(C)C)cc1 919653731 ZWBASSGTCDHFDG-OAQYLSRUSA-N 426.586 4.422 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc4ccc(Cl)cc43)cc2F)C[C@H](C)O1 919692461 MACJNQMJJPELMC-HOTGVXAUSA-N 429.923 4.364 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCO[C@@H]1c1ccccc1 920240832 FCVYMHRWCCEJRL-FYYLOGMGSA-N 425.598 4.207 10 20 IICD C[C@H]1CCCN(Cc2csc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)C1 920869415 YIGAVNPNALCYQA-ROUUACIJSA-N 443.617 4.094 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(N2CCOCC2)cc1 920921349 ZKBBYSQJHLBDRW-ICSRJNTNSA-N 434.540 4.315 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)n1 1256485600 DSCHKIWYWBJLNK-UHFFFAOYSA-N 430.468 4.391 10 20 IICD C[C@H]1CCCN(C(=O)CCN[C@@H](C)c2cc(Br)cc(Br)c2O)C1 1320134292 VNTPIASBUCJWGA-RYUDHWBXSA-N 448.199 4.216 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1)c1cc(O)nc(O)c1 1788427746 LTAOURAXMOEZLM-UHFFFAOYSA-N 437.883 4.208 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)cc1 15447825 CZFPVTJPORFTRX-UHFFFAOYSA-N 444.535 4.044 10 20 IICD O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 247744195 QEMOFIUVOJNMPP-UHFFFAOYSA-N 449.938 4.458 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 303138016 CKYBYUNMNXIDKK-GMAHTHKFSA-N 425.548 4.263 10 20 IICD COc1ccc(N2CCC(NCc3cc(Br)c(OC)c(OC)c3)CC2)cc1 726606482 IDTGCNDKUQQZMW-UHFFFAOYSA-N 435.362 4.234 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(OCc4cccnc4)c3)CC2)cc1 726694417 BDESBTRFWOYUGX-UHFFFAOYSA-N 432.524 4.460 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(C)c3C(=O)N3CCCC3)CC2)cc1 726695062 BQHKQRWNKGUNAQ-UHFFFAOYSA-N 436.556 4.030 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 727168215 KQPWMDGZFCKADV-DEOSSOPVSA-N 430.504 4.387 10 20 IICD CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 728519820 UBVXYEIZNCKZGO-JOCHJYFZSA-N 441.616 4.453 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)c(I)c2)c1 728978064 LNEQIHFAEHJKHN-VIFPVBQESA-N 431.657 4.150 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC(F)F 731014634 CZWYXAOPOPRIFW-UHFFFAOYSA-N 449.454 4.371 10 20 IICD CC(C)c1cc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)on1 733945315 VGXOYOWCMZCCCO-YBEGLDIGSA-N 435.596 4.157 10 20 IICD Cc1cc(-c2noc(CCC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n2)ccc1F 735518770 LHZXFAURXZHILA-LJQANCHMSA-N 439.487 4.030 10 20 IICD CCc1cccc(CC)c1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 737382920 VWMCKYPPONQGOM-UHFFFAOYSA-N 449.623 4.433 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)N[C@@H]2CCOc3ccccc32)cc1 741479281 PGJGQRASTOBVQY-IFMALSPDSA-N 425.598 4.132 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 741735632 JRNBMIHQCXYHQN-SANMLTNESA-N 429.564 4.013 10 20 IICD Cc1nc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2nc1C 742797837 IAZWUOQKTCZZHA-QGZVFWFLSA-N 426.467 4.247 10 20 IICD Cc1nsc(N2CCCN(C(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)n1 742849818 TUMFXCFJQLJVAC-UHFFFAOYSA-N 444.004 4.189 10 20 IICD CCSCC[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 742959588 RRPCMEATDQHPNA-DKXRRRNBSA-N 428.670 4.377 10 20 IICD Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 743315768 BJWVIVVVAJDGDC-CTNGQTDRSA-N 436.600 4.083 10 20 IICD CCN(Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)c1ccc(OC)c(OC)c1 744390581 GSAACAOWJSDAGZ-UHFFFAOYSA-N 435.427 4.390 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N(Cc1ccco1)C[C@@H]1CCCO1 745906213 YOMOMNYSQCPMOV-UWJYYQICSA-N 449.498 4.241 10 20 IICD CC(C)n1cc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2n1 747548912 YVSQSOPQHSKETP-UHFFFAOYSA-N 425.508 4.039 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)nc1Cl 747640328 NXIFFAXENXHWEH-UHFFFAOYSA-N 434.245 4.174 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(CCN2CCOCC2)CC1 749697354 WXVWETNGQIESIA-UHFFFAOYSA-N 449.555 4.001 10 20 IICD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N(CC)CC)c(F)c1 750628505 ZCYIXLLBVLSWBO-UHFFFAOYSA-N 430.524 4.094 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 751661284 DADUUMGVNMNYMR-UHFFFAOYSA-N 436.943 4.467 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3csc4ccc(Cl)cc34)cc2)C1 751663157 AOFORZIJMOVOHS-MRXNPFEDSA-N 441.984 4.115 10 20 IICD CC[C@H](CSc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 752646814 ATJXNXVIRVYCKQ-GOSISDBHSA-N 431.577 4.157 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc(C(F)(F)F)c1 753243050 KMSPDJVFMNFTAJ-INIZCTEOSA-N 434.462 4.037 10 20 IICD C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 754159019 KDIBIOPUGJWNCZ-IERDGZPVSA-N 448.489 4.230 10 20 IICD C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)c(F)cc1O 756482730 KMAJAVJWXKCMAA-JTQLQIEISA-N 436.730 4.072 10 20 IICD CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 756968239 BZSFXVKHCBPVMA-HXUWFJFHSA-N 425.573 4.351 10 20 IICD O=C(NCCCSc1nccs1)NCc1ccc(N2CCc3ccccc3C2)nc1 759549002 AAXKYXBORLZBAI-UHFFFAOYSA-N 439.610 4.082 10 20 IICD C[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C[C@H](c2ccsc2)O1 759727547 OLYRNANTMVDABY-DVSDUFGPSA-N 447.576 4.172 10 20 IICD CCOc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc(Cl)c1O 762591678 DFIIDGZBLUSVCZ-UHFFFAOYSA-N 440.874 4.445 10 20 IICD CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 762735959 QTNRIMBSIJDUNL-DNVJHFABSA-N 431.621 4.427 10 20 IICD Cc1cc(C)c(Br)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 764186446 WWQSRRJTUJQQFD-UHFFFAOYSA-N 435.337 4.096 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3ccc(N4CCCCC4)cc3)CC2)cc1 764820632 RXCUECIFJKWVNT-NRFANRHFSA-N 441.641 4.489 10 20 IICD CC1(C)Cc2occc2[C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 765280317 JTRQCPMPHXNLHT-OAQYLSRUSA-N 435.547 4.339 10 20 IICD CCOc1cc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc(OCC)c1OCC 770143012 HQNNWGBNKBBCQP-UHFFFAOYSA-N 441.572 4.277 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1O 779014988 ZJXBIOPBBRBUQW-AWEZNQCLSA-N 441.391 4.001 10 20 IICD CC(=O)N1CC[C@@H](NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccccc2C1 779020216 KGHNIFWSLYDHJL-NXMSCROESA-N 425.548 4.022 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N)cc1 783484526 FBVPVBQXLAHNNQ-HOYKHHGWSA-N 445.519 4.169 10 20 IICD COc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C(C)C)cc1 785542231 DYXIUXYZJITHJC-QHCPKHFHSA-N 425.573 4.012 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 785669523 DHMGHXPOTYEFMD-UHFFFAOYSA-N 449.532 4.317 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(N(C)C)cc1 786420072 IAZIGDPYOOLLQH-HNNXBMFYSA-N 429.948 4.401 10 20 IICD CN(C)c1ccc(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1F 792951415 FRYNBJVLXIFXRT-MRXNPFEDSA-N 433.833 4.097 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 797615335 CEWLOHIBSPAEPP-OAHLLOKOSA-N 436.464 4.158 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 797616941 CEADLGOHIBLRNI-INIZCTEOSA-N 425.529 4.255 10 20 IICD CN(C(=O)NCCCSc1nccs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 806958789 MVXXNXYJHCQPPJ-GJZGRUSLSA-N 432.398 4.232 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 807323075 OAHYJUDMHPGDLE-KDOFPFPSSA-N 434.418 4.060 10 20 IICD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)C2)c1 807838021 HLMXDEIRLZWIHI-OAHLLOKOSA-N 435.351 4.484 10 20 IICD CN(C)c1ccc(CNC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc1 808494381 CEBYJTCSZKYERY-LJQANCHMSA-N 443.897 4.084 10 20 IICD Cc1cc(Cl)cc([C@@H](C)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c1O 808717273 GMUXTBOBAWZZJI-QKFKETGDSA-N 427.932 4.430 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)cc(C(F)(F)F)cc1F 810165368 PSQQIVONUYRPKN-UHFFFAOYSA-N 428.401 4.122 10 20 IICD CC[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1O 810211979 KFBJWQYEVFETGF-LJQANCHMSA-N 442.503 4.436 10 20 IICD Cc1cc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc2nc1Cl 815000455 KCGDSWWCXVIKMU-INIZCTEOSA-N 445.972 4.073 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 914456165 PTQPCBYKXQPTPW-OAQYLSRUSA-N 431.536 4.466 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2n[nH]cc2c1 914575384 AEYWYKVQEXCOOD-YBEGLDIGSA-N 428.564 4.245 10 20 IICD O=C(NCC1(N2CCCCC2)CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 915890165 CBQCWKYMQIWRMK-QFIPXVFZSA-N 429.605 4.272 10 20 IICD O=C(NCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)c(Cl)c1 917361401 KXTTYWJLZGQEBR-UHFFFAOYSA-N 433.291 4.251 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(Cl)s3)cc2F)C[C@@H](C)O1 918216150 PPWBDKHJMAYDKG-OKILXGFUSA-N 425.957 4.196 10 20 IICD CC[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1OCC(=O)NC 918633358 ASTFPVYPEHHFNI-QHCPKHFHSA-N 449.551 4.109 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCOCC2)cc1 920865482 FDSBTLBZJQQCEY-GOSISDBHSA-N 434.561 4.134 10 20 IICD C[C@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1ccc(N2CCOCC2)cc1 920886401 JSWCOSCXFDMDQS-ZDUSSCGKSA-N 446.320 4.397 10 20 IICD C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(N2CCOCC2)cc1 920887675 GPZBZCMESZJOEQ-AWEZNQCLSA-N 428.330 4.258 10 20 IICD Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920888710 YRVSRKHMJHXMRA-QGZVFWFLSA-N 435.524 4.198 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1 1319870890 PTRXNWZKMQPTQU-UHFFFAOYSA-N 439.556 4.163 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc(Cl)c(Cl)c1 1320691962 GVGYVBIJSUFEMA-KRWDZBQOSA-N 440.323 4.018 10 20 IICD C[C@H](NC(=O)c1cccc(COc2cccc(C=O)c2)c1)c1ccc(N2CCOCC2)cc1 1327343734 SGIHCSPQOZMVGG-FQEVSTJZSA-N 444.531 4.406 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cc(Cl)sc1Cl 1337826688 PUTUCGLDBMDADT-ZDUSSCGKSA-N 446.352 4.079 10 20 IICD CC1(C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CCC1 1788672043 ZTYASYVUWVPHGD-UHFFFAOYSA-N 444.535 4.104 10 20 IICD CC(C)Cn1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc2c1=O 248213665 FKHZFYMNNVAOFV-UHFFFAOYSA-N 431.492 4.194 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cn2)c1 472786300 KDAPBHISFAXGMV-UHFFFAOYSA-N 442.519 4.491 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3csc(-c4cccc(OC)c4)n3)SC2=S)cn1 726197345 RDXKCQXHAIQCHW-LZYBPNLTSA-N 428.564 4.441 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)nc3C3CCCCC3)cc2F)C[C@H](C)O1 726755181 ZNZRTRDYLXJHKW-IRXDYDNUSA-N 428.552 4.151 10 20 IICD CCn1cc(Br)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 726771303 KMCBDATVDIMQMB-IBGZPJMESA-N 434.378 4.158 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C2CC2)cc1 729174327 DDUWMXVRQBALPX-NRFANRHFSA-N 444.000 4.112 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(Cc1ccccc1O)C1CCCC1 731846150 VSNLUNNQXMJYDD-UHFFFAOYSA-N 446.595 4.315 10 20 IICD O=C(N/C(=C/c1cccnc1)C(=O)N1CC2(CCC2)c2c(F)cccc21)c1ccccc1 733144395 OVKORBHWQVMJHI-RCCKNPSSSA-N 427.479 4.460 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(Nc2ccccn2)n1 736073543 IZJFCNJNSZHEMZ-UHFFFAOYSA-N 445.495 4.282 10 20 IICD CN(C)c1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)cc1F 742391731 LXMDDWXKBNYTBH-HSZRJFAPSA-N 448.510 4.453 10 20 IICD CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742805599 MTXCSFCWFXPATK-LJQANCHMSA-N 446.494 4.435 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@]12CCCc1ccccc12 743313603 WHDRZTRPZJMBAW-VWNXMTODSA-N 444.497 4.452 10 20 IICD O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccco1)Cc1ccccc1O 743429789 YYEDUEUQUMZGSI-UHFFFAOYSA-N 431.242 4.499 10 20 IICD C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 745837265 GRBGUPFHDYURHZ-HSZRJFAPSA-N 449.643 4.029 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@@H]1c1ccccc1 745903666 IPAQRFAFEQZOEP-GHTZIAJQSA-N 431.483 4.040 10 20 IICD COc1ccccc1-c1noc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 745919853 MWXKUSVDRDSQEE-INIZCTEOSA-N 435.528 4.246 10 20 IICD COCCN(CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(OC)c(OC)c1 746478281 QWBORYJJQQHYLG-QGZVFWFLSA-N 430.570 4.074 10 20 IICD Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 753028543 ITDRVPROUPMZQI-ROUUACIJSA-N 437.519 4.255 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(F)c(F)c1F 753282785 NXHWEKXCMQFNTG-UHFFFAOYSA-N 431.252 4.346 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)cc1 754906805 QVDIAPXROJLOCT-UHFFFAOYSA-N 436.512 4.059 10 20 IICD C[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(Br)c1O 756764744 KNKAAVYTGKDBOR-AAEUAGOBSA-N 449.183 4.296 10 20 IICD CN(C)c1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1F 761990081 CZBDKNMLVGGOHB-UHFFFAOYSA-N 431.508 4.121 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1COc2ccc(Cl)cc21 762056222 JGICBNIVCZCIQS-SFHVURJKSA-N 437.874 4.343 10 20 IICD C[C@H](CC(=O)Nc1cccnc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765643564 VAWHMMRLHUCJLL-CQSZACIVSA-N 438.906 4.312 10 20 IICD Cc1nc(CN2CCC(CN[C@H](C)c3ccc(N4CCOCC4)cc3Cl)CC2)oc1C 765933087 VXSNSNJAZQTYRU-GOSISDBHSA-N 447.023 4.344 10 20 IICD Cc1oc2c(CN3CCCN(CC(F)F)CC3)c(O)ccc2c(=O)c1-c1ccccc1 766371534 KJBVXXWTRSGOIT-UHFFFAOYSA-N 428.479 4.247 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnn(C4CCOCC4)c3C)c2C)c1 766989183 DCBMHDFSZWUVMT-UHFFFAOYSA-N 435.524 4.299 10 20 IICD CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 773763295 PGXWPMKOLBLCKO-INIZCTEOSA-N 425.554 4.246 10 20 IICD CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Br)ccc1O 775525597 XMVDDQFJXUSPNA-OALUTQOASA-N 433.346 4.005 10 20 IICD O=S(=O)(Nc1ccc(F)cc1)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1 776247342 DEMBDWVMGHYWKI-UHFFFAOYSA-N 438.883 4.414 10 20 IICD Cn1ccnc1-c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782896998 SCYRFJXOZCYXGI-UHFFFAOYSA-N 432.524 4.093 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)cc1Cl 785196671 UDSLSADJEKYRKT-UHFFFAOYSA-N 425.710 4.104 10 20 IICD Cc1ccccc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 790639984 VQMBTNAVKNORRW-UHFFFAOYSA-N 448.482 4.353 10 20 IICD OCC[C@H](Cc1ccccc1)NCc1cc(Br)cc(Br)c1O 799739953 SIDATZQNZXCWSH-OAHLLOKOSA-N 429.152 4.001 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Cl)c1OCC(F)F 806825320 XDJKKGQFJOAVRJ-UHFFFAOYSA-N 425.863 4.142 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C1CCC(NC(C)=O)CC1 812028609 LZXPYNKGDXJTRB-UHFFFAOYSA-N 434.588 4.256 10 20 IICD Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c1C 812392459 NKVCJTIDCKOVAO-UXHICEINSA-N 436.556 4.413 10 20 IICD C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)NC[C@H]1CCCO1 814772790 DZORUCWVPNOJEM-UAGAXAASSA-N 432.592 4.289 10 20 IICD O=C(COc1ccc(Cl)c(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 815258282 UCBRQNLJHNWSQQ-UHFFFAOYSA-N 428.838 4.245 10 20 IICD Cc1cccc(OCCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914439116 BTINEASLOSTABR-JXAWBTAJSA-N 446.619 4.233 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cc(Br)cn2)cc1 917117275 NKDIMCFXDBHUTC-UHFFFAOYSA-N 425.330 4.165 10 20 IICD Cc1cc(CC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1-c1ccc(Cl)cc1 917122035 NNRLIPKYUXRTOM-GOSISDBHSA-N 437.975 4.234 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCc1cc(F)cc(F)c1 917206340 QUBWZEXKBLEOAE-FQEVSTJZSA-N 443.519 4.416 10 20 IICD CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918401393 BVVQUOQEEMAZTM-UHFFFAOYSA-N 437.500 4.120 10 20 IICD C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971190 JZHJAHYMKWKOOU-ZDUSSCGKSA-N 441.330 4.177 10 20 IICD CC(C)Oc1ccccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 920180542 ZMCZPYYFVWZGQS-UHFFFAOYSA-N 435.547 4.019 10 20 IICD CC(C)CN(CCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 921122719 MDYWRPTUCQHQEN-UHFFFAOYSA-N 427.564 4.197 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cccc(C(F)F)c1)c2[N+](=O)[O-] 1255442804 WNGUWXVFITVPMD-UHFFFAOYSA-N 436.370 4.238 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N[C@@H]1CCOc2ccccc21 21729054 MVKGAVAXOPFYCC-TZIWHRDSSA-N 449.576 4.461 10 20 IICD COCCOC1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 303656158 LQZLNAZJFPRLFD-UHFFFAOYSA-N 435.362 4.124 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)n(C)c2ccccc12 472802229 KANQHJCFXPHTIO-UHFFFAOYSA-N 435.471 4.238 10 20 IICD CCC(=O)Nc1cccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)c1 546273548 XLUWIACEGKMRBD-UHFFFAOYSA-N 432.505 4.277 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3csc(-c4ccc(OC)cc4)n3)SC2=S)cn1 726197556 UQCWTHZSGDUXKA-LZYBPNLTSA-N 428.564 4.441 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)cc3)SC2=S)cc1 726627918 SIEYBHGWQQXZFQ-OQLLNIDSSA-N 438.452 4.132 10 20 IICD COc1cccc(CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1O 729858713 BMSPJORCOJSHKG-UHFFFAOYSA-N 448.544 4.012 10 20 IICD COc1ccc(N2CCCN(C(=O)c3oc(COc4ccc(C=O)cc4)cc3C)CC2)cc1 731613412 ZJZLLKRCPFPTDB-UHFFFAOYSA-N 448.519 4.341 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(C(=O)N(C)C)c2)cc1 732115163 UWGGIENVXMYVCY-UHFFFAOYSA-N 431.536 4.310 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(Cl)cc1 732918492 HCXGHKGGCLUKGH-KRWDZBQOSA-N 425.939 4.447 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3nc4ccccc4s3)cc2F)CC1 734180524 SPFFFPXPPQUQMV-INIZCTEOSA-N 441.576 4.138 10 20 IICD O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735516334 OTPPALDZRKMKER-SFHVURJKSA-N 439.493 4.245 10 20 IICD CN(C)c1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)cc1 742392272 OSYLDZGBDUBNDY-QHCPKHFHSA-N 430.520 4.314 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3n2)NC(=O)OC(C)(C)C)cc1 742754938 SCXGTTLLVHFBBN-QFIPXVFZSA-N 434.540 4.297 10 20 IICD Cc1cc(C(=O)N2CCC(OCCN3CCCC3)CC2)c(C)n1-c1cccc(Cl)c1 744758026 PGMCFYPMAWPQQL-UHFFFAOYSA-N 429.992 4.465 10 20 IICD CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 745182509 FZTOEDFYSBVKEP-BZSNNMDCSA-N 429.536 4.398 10 20 IICD CN(C)C(=O)C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)c2ccc(Cl)cc21 745788660 PLQIKIZIPADBHX-GOSISDBHSA-N 440.975 4.014 10 20 IICD Cc1cnc([C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)s1 745865816 AGGYBTAPMPKEPR-MAUKXSAKSA-N 436.528 4.472 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 751967698 IMIDKNYUJOMOCW-UHFFFAOYSA-N 448.894 4.016 10 20 IICD Oc1nc(/C(Cl)=C/c2cnc(-c3ccncc3)s2)nc2c1=CC(c1ccccc1)=S=2 753142657 RXSPJXHLJXZGBQ-YVLHZVERSA-N 448.960 4.436 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1C 753226001 SLIXTMRBTUFCRO-UHFFFAOYSA-N 446.345 4.466 10 20 IICD CCCOc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC 753842385 HUKVFTUYTGJIFG-QGZVFWFLSA-N 445.535 4.225 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc3ccccc3o2)nc1-c1ccccc1 753976797 AMQZRFLTCPKRRB-UHFFFAOYSA-N 428.491 4.073 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(Br)cc4cccnc34)CC2)cc1F 759326342 UILDEUMDLGMCRP-UHFFFAOYSA-N 444.304 4.107 10 20 IICD COc1cc(N2CCN([C@H](C)c3ccc(Br)cc3)CC2)cc(OC)c1OC 759885549 KDLBEJCKYVIFFZ-OAHLLOKOSA-N 435.362 4.358 10 20 IICD COc1cc(N2CCN(Cc3ncc(-c4ccccc4)s3)CC2)cc(OC)c1OC 759886699 PMKBDKYCDNSIHQ-UHFFFAOYSA-N 425.554 4.158 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(-c2ccc(F)cc2)on1 761973442 MELQOPRLRCOHIP-UHFFFAOYSA-N 449.404 4.266 10 20 IICD O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cc(F)c(O)c(F)c1 762622527 IBNWDLMDRWQZQT-UHFFFAOYSA-N 437.490 4.287 10 20 IICD CN1CCN(c2ccc(CNCc3nc4c(s3)C[C@@H](c3ccccc3)CC4)cc2)CC1 767192153 ZUBMEUKINIQCGQ-QFIPXVFZSA-N 432.637 4.457 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1)C1CCCCC1 767937844 FERLDIANOHXBKX-DQEYMECFSA-N 442.648 4.023 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)n2)cc1Cl 768847111 CRFQONDLJJSBMI-UHFFFAOYSA-N 431.904 4.243 10 20 IICD C[C@@H](c1cccs1)N1C(=O)/C(=C\c2ccc(N3CCN(C)CC3)cc2)SC1=S 771515235 ZFEROKPSFWLEPG-FHHIAAGZSA-N 429.636 4.462 10 20 IICD C[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)c(Cl)cc1O 774256508 XLVUAYCXIBBUCC-CQSZACIVSA-N 443.396 4.344 10 20 IICD C[C@@H](NCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc(N2CCOCC2)cc1 775257986 NVXHFIBQAMANLO-GOSISDBHSA-N 436.581 4.012 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 777829449 XPNNYVFSCIJFSS-UHFFFAOYSA-N 441.867 4.324 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@@H](COc2ccccc2)C1 780831451 LZDZSLAGNUQGML-GOSISDBHSA-N 445.510 4.367 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 781100322 ZSPUGPLUOCJYII-UHFFFAOYSA-N 439.537 4.096 10 20 IICD Cn1cc(-c2ccc(F)c(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)cn1 782314592 TZWGRXVUAFUNRF-QGZVFWFLSA-N 444.457 4.226 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 782780072 CXDKLFFOWULNAP-UHFFFAOYSA-N 433.499 4.195 10 20 IICD O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1cccc(Br)c1O 787338537 BEULMBHIZPNNOB-UHFFFAOYSA-N 448.195 4.081 10 20 IICD CCOC1CC(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 789688526 MNRFTTIFNAIUNO-GHRIWEEISA-N 438.640 4.051 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 792884728 ZRIKMFJTKNWFIE-ICSRJNTNSA-N 429.511 4.061 10 20 IICD Fc1ccc(/C=C\CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F 796275629 LZXKZHPHVPIANR-IWQZZHSRSA-N 439.485 4.024 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccnc(-n4cccn4)c3)cc2Cl)C1 799863021 MIVZFIXLNWYBSS-QGZVFWFLSA-N 438.963 4.156 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1csc(-c2cccs2)n1 799906369 OHKDMNGTWSUKQP-UHFFFAOYSA-N 445.585 4.441 10 20 IICD Cc1cc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c2[nH]c(C)c(C)c2c1 803322459 FXYSXAYQXCHMOS-UHFFFAOYSA-N 445.519 4.237 10 20 IICD Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C 807680057 ZASIANZATAZWNV-REWPJTCUSA-N 438.568 4.112 10 20 IICD Cc1ccc(SC[C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 807688680 MMNZKEOHOTZQFI-GOSISDBHSA-N 438.549 4.119 10 20 IICD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1cc(Cl)cc(Cl)c1O 807838487 UNEKMULOINTBRQ-CQSZACIVSA-N 431.728 4.472 10 20 IICD Cc1cc(O)nc2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc12 808382752 KDUUZSYENIKUHU-UHFFFAOYSA-N 427.451 4.249 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 808498035 GKOYFJKMRKOHAP-IBGZPJMESA-N 447.489 4.492 10 20 IICD CCOC(=O)c1ccn(-c2cccc(CNCc3cc(Br)cc(C)c3O)c2)n1 809762641 VRKIKKJCSYTPJV-UHFFFAOYSA-N 444.329 4.115 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccn4)n3Cc3cccs3)CC2)cc1 812357196 YCWYDDFUYAAXPB-UHFFFAOYSA-N 446.580 4.175 10 20 IICD CCN1CCN(c2ccc(CNC(=N)Nc3cccc(OC(F)(F)F)c3)cc2F)CC1 849083659 CNZATFFHQYDGGM-UHFFFAOYSA-N 439.457 4.003 10 20 IICD Cc1nn(Cc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)c(C)c1[N+](=O)[O-] 914439414 WWBKNQOJSDCHHW-UHFFFAOYSA-N 447.539 4.327 10 20 IICD Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cnn1-c1ccccn1 914947095 PWHBKHYDZLVAIX-UHFFFAOYSA-N 432.455 4.162 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C)n2)cc1 915291010 LMMSWJKGWDEYMN-UHFFFAOYSA-N 447.557 4.127 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(=O)OC)s3)sc2C)cc1 917846007 IXIIUNHTNSZQMQ-UHFFFAOYSA-N 438.552 4.166 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 919971362 SJPGEIQEGOULDY-UHFFFAOYSA-N 443.519 4.064 10 20 IICD O=C(c1cccnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCCC1 301389630 ZJIFYOMSZSBLFF-UHFFFAOYSA-N 448.489 4.175 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 726171979 UFYJGCTVYSFEHT-IBGZPJMESA-N 429.992 4.445 10 20 IICD CC(C)NC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726694669 ALNACPZPQPWTLG-UHFFFAOYSA-N 446.498 4.217 10 20 IICD O=C(NCCCc1cccc(Br)c1)NCc1ccc(N2CCSCC2)cc1 731219821 IOVNAQZYSCDJJT-UHFFFAOYSA-N 448.430 4.434 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)cc1F 731408076 DJUJTASJSNUDAB-UHFFFAOYSA-N 426.517 4.050 10 20 IICD CCn1nc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)ccc1=O 731962483 MYCVIHOAIMMSJN-UHFFFAOYSA-N 437.500 4.186 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1OC 732201935 BNYDUFIUPUDCNV-GOSISDBHSA-N 438.524 4.190 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1 735369727 JOLWROSWNGZPJQ-UHFFFAOYSA-N 432.590 4.267 10 20 IICD COc1cccc(OCCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 738499455 DXSHLUWUCJAZLD-UHFFFAOYSA-N 449.498 4.034 10 20 IICD COCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(N2CCCCCC2)c1 740800984 LZNHQSGXKCFBSX-UHFFFAOYSA-N 441.597 4.174 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 743046724 OBJJXOXNGNRKDW-UHFFFAOYSA-N 448.476 4.083 10 20 IICD COCCOCc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743107487 HZBZSUCKXYVLGB-IBGZPJMESA-N 449.498 4.242 10 20 IICD CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cc(Br)ccc1O 744426703 UZFKGDMMLYTNFO-UHFFFAOYSA-N 436.306 4.222 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 746783615 OQTVGSAFPVXXBH-UHFFFAOYSA-N 431.536 4.237 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 748625177 WSSPJAFERLKBJP-UHFFFAOYSA-N 435.425 4.201 10 20 IICD Cc1cc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 752382650 RYRIIRPVRDIHEE-HNNXBMFYSA-N 437.323 4.154 10 20 IICD Cc1cc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 752382651 RYRIIRPVRDIHEE-OAHLLOKOSA-N 437.323 4.154 10 20 IICD CN1CCN(c2ccc(CNC[C@@H](Cc3ccc(-c4ccccc4)cc3)C(=O)O)cc2)CC1 756307973 RIODBOQVLLFSII-AREMUKBSSA-N 443.591 4.139 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 756864270 VHNBKPGJPBONNG-CHWSQXEVSA-N 429.355 4.053 10 20 IICD COc1cc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc(OC)c1OC 760083646 GKFWUCBYAJKQAJ-UHFFFAOYSA-N 447.535 4.418 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)n1 760092527 QBPSHEKNSGSNTC-PTNGSMBKSA-N 433.580 4.080 10 20 IICD O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCc1cccc(Br)c1O 765748649 ZBNKQAXSIGWYAV-UHFFFAOYSA-N 436.693 4.107 10 20 IICD CN(C)c1ccc(CN(C(=O)Cc2ccccc2I)C2CC2)cc1 771252275 QYKSVYYMDIHEGH-UHFFFAOYSA-N 434.321 4.091 10 20 IICD C[C@@H](NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(N(C)C)cc1 773618085 HKJPOCQGWBZDKS-KBMIEXCESA-N 433.552 4.425 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(F)c(Br)c(F)c3)CC2)cc1 775380655 XFFQHEWAJYUTCZ-UHFFFAOYSA-N 440.288 4.480 10 20 IICD Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 776237918 KDYTUZRQLNLASG-AWEZNQCLSA-N 425.533 4.435 10 20 IICD C[C@@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccc(F)cc1 776253650 NCKNVIFPIUVBAT-MRXNPFEDSA-N 433.115 4.054 10 20 IICD COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)c(C)s3)cc2)CC1 776302831 WKQVYTLKVHSWAE-UHFFFAOYSA-N 442.562 4.432 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(-n2cc(Cl)cn2)n1 786833968 GUJHBJPGTOENOZ-UHFFFAOYSA-N 438.963 4.169 10 20 IICD C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc2c(cc1O)CCCC2 793558809 IAACKBKQTWDPGG-AKJBCIBTSA-N 433.552 4.347 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)cc2)n1 797746620 GIUPPYMSKQIEHA-UHFFFAOYSA-N 442.859 4.055 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N(C)C)cc3)cc2Cl)C1 799875810 DOIDFHOJAMKYBN-KRWDZBQOSA-N 442.991 4.278 10 20 IICD O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807505715 NGGSMVJSQWVUBQ-RXVVDRJESA-N 436.483 4.106 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccc(F)cc1F 808894408 BGYJFFIOMXMUCA-GOSISDBHSA-N 442.466 4.378 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3C[C@H](C)S(=O)(=O)c4sccc43)ccc21 809099392 VVOZJURLWKVOCG-RNODOKPDSA-N 447.578 4.430 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C 810351319 JUOZQBCMZRTTSM-UHFFFAOYSA-N 440.613 4.344 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F 857464801 PHXDLLFVXSUKGC-HNNXBMFYSA-N 440.437 4.260 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2ccc(Br)cc2)CC1 917383434 GYKHHVLKMQTHSK-UHFFFAOYSA-N 431.399 4.350 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)s1 918742533 MGLGIVJVMMBERY-JTQLQIEISA-N 425.532 4.009 10 20 IICD CCCCOc1ncccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 920418284 GZRPBRQPTWXAMN-ROUUACIJSA-N 444.551 4.013 10 20 IICD C[C@@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccc(N2CCOCC2)cc1 920921099 WPTYUNXBHVWOPB-OAHLLOKOSA-N 444.988 4.389 10 20 IICD CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 1251269098 FQCCTMNHXGUIBU-UHFFFAOYSA-N 435.524 4.346 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1)c1cc(O)nc(O)c1 1788428013 RKWKWRLAMDAXLJ-UHFFFAOYSA-N 449.488 4.362 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(SC)c(OC)c3)CC2)cc1 726714088 SSEFQVIXIADSJM-UHFFFAOYSA-N 429.586 4.236 10 20 IICD CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 727466915 JABVEVNXNKYQSN-GOSISDBHSA-N 428.552 4.387 10 20 IICD CC(C)COC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1 728837092 NFYOTKZQYLMKAW-UHFFFAOYSA-N 443.510 4.148 10 20 IICD CN1CCCc2cc(CNC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)ccc21 730749096 ZRIRHRYLOSLFAF-UHFFFAOYSA-N 431.874 4.171 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCN(CCc4cccs4)CC3)cc2)CC1 731049638 HLUOTZGSWFUAGS-UHFFFAOYSA-N 426.630 4.054 10 20 IICD COc1ccc(CN(C(=O)COC(=O)c2cc(O)cs2)[C@@H](C)Cc2cccs2)cc1 732354532 UKWIKVGJPVRNHD-HNNXBMFYSA-N 445.562 4.341 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2cccc(Br)c2)c1C 734401724 DNYPOYVFRHQBQK-UHFFFAOYSA-N 427.346 4.248 10 20 IICD Cc1ccc(-c2nnco2)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 736986265 KUVOVZYFAAWWHS-HZPDHXFCSA-N 439.491 4.119 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cc21 741136103 DKKUNTWSWAOBAY-UHFFFAOYSA-N 427.570 4.167 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)CCc2cccc(F)c2F)NC(=O)OC(C)(C)C)cc1 742750547 DVPIACQYLJYXJP-FQEVSTJZSA-N 447.526 4.346 10 20 IICD CN(C)Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)oc2ccccc12 743736011 MCURPTNFEKFHMK-INIZCTEOSA-N 443.494 4.495 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cc1ccccc1 743956845 XFOVQPXQGPWBDH-UHFFFAOYSA-N 444.531 4.125 10 20 IICD COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2cccc(Br)c2O)cc1OC 747439989 HUFVUZIRJCDORJ-LJQANCHMSA-N 447.329 4.120 10 20 IICD Cc1cc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c(C)n1-c1ccccn1 749268776 DSUHPHXOQJEYGR-UHFFFAOYSA-N 446.320 4.025 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1cccc2ncccc12 751306894 ZLJOGYGNDGABGX-UHFFFAOYSA-N 446.474 4.086 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(C4CC4)nc4ccc(OC)cc34)CC2)cc1 751661221 CJGXCTJXIZXKHQ-UHFFFAOYSA-N 431.536 4.482 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCCC[C@H]1C 751945515 RCAZADCZVICMKE-FPDPHYFHSA-N 429.586 4.192 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)CC2)cc1 753006715 ZRDPACOWTHPYOT-KRWDZBQOSA-N 427.549 4.109 10 20 IICD C[C@H](NC1CCN(CC2CC2)CC1)c1cc(Br)cc(Br)c1O 756431693 DHHOQNISNAHLHG-NSHDSACASA-N 432.200 4.442 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ncc(Cl)s1 756952229 OFDXHGIYHXGQSK-YFHOEESVSA-N 430.001 4.478 10 20 IICD O=C1N[C@H](Cc2cccc3ccccc23)C(=O)N1Cc1ccc(N2CCSCC2)cc1 761097382 HZRHAKAQQWWUFN-HSZRJFAPSA-N 431.561 4.056 10 20 IICD Cc1cnc(C2CCN(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)s1 763954354 YKXJFTQAZSSMMQ-UHFFFAOYSA-N 445.544 4.045 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCOc2cccc(F)c21 764271269 DHHPRQUKEJJDHW-FOWTUZBSSA-N 448.566 4.294 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(OCCN(C)C)cc3)cc2F)C[C@@H](C)O1 765117486 GDFZFHOOTYXKPT-ZCNNSNEGSA-N 429.580 4.231 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(N(C)C)cc1 765278820 CGXCIURUEGOLID-DEOSSOPVSA-N 448.590 4.249 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2cccc(Br)c2O)C(F)(F)F)cc1 765346269 GYYFCJQXUCJJGU-OAHLLOKOSA-N 433.224 4.266 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(OCc2cccnc2)c1 766485610 WVBFCRQRSAYGGJ-KEBDBYFISA-N 435.530 4.470 10 20 IICD Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 769649415 UZDBTHBFCLOZGU-UHFFFAOYSA-N 444.578 4.019 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 771055699 CRNZQSFBSHLXAJ-FQEVSTJZSA-N 429.948 4.035 10 20 IICD COc1cc(SC)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 772936207 CDVNLRZKCSKUKY-UHFFFAOYSA-N 427.570 4.005 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](C1CCCCC1)C(F)(F)F 775997039 VXRGEYSQOFOQGJ-HXUWFJFHSA-N 427.511 4.206 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CC[C@@H]3SCCS[C@H]32)NC(=O)OC(C)(C)C)cc1 777300572 FBTUQQWDQKVRRQ-FYQPLNBISA-N 437.675 4.288 10 20 IICD Cc1cc(C(=O)N[C@H](CCO)c2ccccc2Br)c(C)n1-c1ccccn1 782057712 MQTUTDLJHXELFI-LJQANCHMSA-N 428.330 4.105 10 20 IICD COC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 784491727 YCLUNQWQEZZYDF-UHFFFAOYSA-N 433.420 4.390 10 20 IICD COc1cccc(C[C@@H](O)C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 785718025 RUTJVMGWEDHRHG-JOCHJYFZSA-N 433.464 4.196 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(F)cc4)s3)cc2)CC1 786258339 CRANFYSEVKOIMU-UHFFFAOYSA-N 437.540 4.153 10 20 IICD CNC(=O)c1cc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)ccc2[nH]1 791918879 LXMVVABLTVBZIK-UHFFFAOYSA-N 445.523 4.421 10 20 IICD O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1c(Cl)cc(F)cc1Cl 797820622 GHRDELCNCKUAJO-UHFFFAOYSA-N 435.373 4.164 10 20 IICD CC1(C)CC(=O)c2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc2O1 807005610 DYJKSMICPYNESP-UHFFFAOYSA-N 435.524 4.317 10 20 IICD O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 809195871 ZDDQVOXAKWPMOJ-RBBKRZOGSA-N 432.520 4.042 10 20 IICD Cc1cc(CN2CCN(Cc3c(O)ccc4c(=O)c(-c5ccccc5)c(C)oc34)CC2)on1 813049575 ACEHTIBKKCRCOS-UHFFFAOYSA-N 445.519 4.088 10 20 IICD Cc1cc(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 819064061 ODRDOEHNUZMOCG-JOCHJYFZSA-N 427.976 4.053 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCOc1ccccc1 913360465 KRVCZNGVXPXQFY-SAPNQHFASA-N 433.576 4.352 10 20 IICD Cc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916835391 YYXFLTJJFYDAQQ-QGZVFWFLSA-N 435.490 4.357 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C(F)(F)F 918033670 YKOZOCPPOKUBFJ-MRXNPFEDSA-N 434.462 4.037 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 918265496 ITSOTXNZWSZKSG-UHFFFAOYSA-N 425.838 4.214 10 20 IICD C[C@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 920887140 APZJYHRNLRETAM-INIZCTEOSA-N 427.595 4.493 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2F)CC1 1251690578 PCPHDCZQRCKMDU-UHFFFAOYSA-N 448.542 4.430 10 20 IICD Cc1nc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 1800513231 CTQFYYCTLKOLHH-UADZTWIMSA-N 446.551 4.265 10 20 IICD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCC1 1818951003 VXRPNUYPTHUUSP-MRXNPFEDSA-N 446.935 4.361 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S 16878647 PLEINEJVNIOIMK-UHFFFAOYSA-N 435.597 4.207 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(Cc3ccc(C)s3)C(C)C)CC2)cc1 726089087 TZWXOWGWALZAHG-UHFFFAOYSA-N 444.645 4.197 10 20 IICD O=C(CSc1ccccc1[N+](=O)[O-])NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566392 XQNDMROQYOFFIU-UHFFFAOYSA-N 437.468 4.074 10 20 IICD Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(Cl)c1 726600134 CBZOPDUAVQWASF-UHFFFAOYSA-N 430.904 4.197 10 20 IICD CCCn1c(/C(Cl)=C/c2cccnc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 728698754 NMHNNJIUYKZRSE-PTNGSMBKSA-N 439.368 4.482 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730518482 JXRNCCQWYBLHAF-UHFFFAOYSA-N 437.853 4.278 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3-n3cccn3)c2C)c1 730602063 CJZMPAWLDJITFZ-UHFFFAOYSA-N 446.532 4.436 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)Cc3cc(-c4ccccc4)no3)cc2)CC1 731038040 CITGAZIEBOWCGP-UHFFFAOYSA-N 425.554 4.198 10 20 IICD COc1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC(F)F 733334149 BPXNSRAYRQBKSI-QGZVFWFLSA-N 426.891 4.410 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1Cl 733344451 ZHJXXGWZXGGXOS-UHFFFAOYSA-N 437.918 4.232 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)c2)CC1 739766663 TXQKUPZGSSIYAM-UHFFFAOYSA-N 445.494 4.011 10 20 IICD O=C(N[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1)c1ccccc1 742476066 JAWPLDFVMFVGDT-VWLOTQADSA-N 427.548 4.464 10 20 IICD CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1 743114587 PNKFAJTYUBPEJU-KRWDZBQOSA-N 446.498 4.137 10 20 IICD COCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)cc1 743286020 ZJEAZLSIMXXFOP-KNGGAZFVSA-N 425.575 4.471 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 743304697 UQVAXFAEHRFULM-AREMUKBSSA-N 447.579 4.166 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(-c2ccccc2Cl)c1C 743809210 OGRBQGAAPBGFFV-UHFFFAOYSA-N 449.736 4.360 10 20 IICD O=C(NCc1cccc(N2CC=CC2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903958 KJWGZZFWLPYPNK-LJQANCHMSA-N 442.510 4.132 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCN(c4cccc(Br)c4)C3)CC2)cc1 756114118 NDESRUGPMUBVQC-IBGZPJMESA-N 430.390 4.295 10 20 IICD CCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 756514345 FUZDLLSUVUCILI-HRAATJIYSA-N 426.517 4.359 10 20 IICD C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N(C)C)cc1 765986773 GTRHDHKEEABEAX-LJQANCHMSA-N 434.584 4.358 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCN(Cc2ccccc2)CC1 768917470 ZQULHRUNTWQTSB-QHCPKHFHSA-N 442.003 4.038 10 20 IICD O=C(CCCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771064843 LCLAXUHFXDTJEO-GOSISDBHSA-N 426.948 4.025 10 20 IICD COc1c(Br)cccc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O 773901446 UCRFLXDVMTVAQB-RVDMUPIBSA-N 435.368 4.297 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCOc4cc(F)ccc43)cc2F)C[C@@H](C)O1 776896203 LSVDZQRMNQGHIR-ZOCZFRKYSA-N 445.510 4.292 10 20 IICD CC(=O)N1CC[C@H](NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ccccc2C1 779020215 KGHNIFWSLYDHJL-GGUMNFRJSA-N 425.548 4.022 10 20 IICD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)oc12 785536930 DDRMZJJXWTVOOT-QGZVFWFLSA-N 437.540 4.123 10 20 IICD CC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)sc2C1 789370313 JRVURCWYVMGAGS-HNNXBMFYSA-N 439.537 4.124 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nnc(-c2ccc(Cl)cc2F)s1 791900187 PAGRKUYRMLYCLZ-UHFFFAOYSA-N 447.923 4.156 10 20 IICD Cc1cc2sc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)nc2cc1F 797674244 WHCLEIXVZANIKN-UHFFFAOYSA-N 432.496 4.166 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 804331650 RGLJHCKSICOEQC-FQEVSTJZSA-N 435.490 4.243 10 20 IICD O=C(Nc1cc(F)c(N2CCOCC2)cc1F)N(Cc1ccco1)Cc1ccccc1O 806742961 FTBFSWPRGBJFOT-UHFFFAOYSA-N 443.450 4.334 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 808793080 XHSZLVASNJZPSS-QFIPXVFZSA-N 437.927 4.085 10 20 IICD CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812022067 GUXZSQWYIDUVFA-UHFFFAOYSA-N 443.555 4.080 10 20 IICD Cn1cc(N2CC[C@H](SC3=NC(=O)/C(=C\c4csc5ccccc45)S3)C2=O)cn1 814773480 SVHIUYXMBNZIJJ-SOWDNDCTSA-N 440.575 4.144 10 20 IICD Cc1cnc2c(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cccc2c1 861562556 RLYVGVLFDPMOKD-UHFFFAOYSA-N 439.518 4.239 10 20 IICD COc1ccc(-n2ccnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 915119402 AHRVAPWEFWEQKF-UHFFFAOYSA-N 438.597 4.476 10 20 IICD CCN(CC)Cc1cccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 915748578 JPWGDLBZLQYGJK-UHFFFAOYSA-N 446.595 4.233 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 916389354 SEPMEDBEFWKFHM-UHFFFAOYSA-N 439.478 4.434 10 20 IICD C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458435 IXPOZYYXKQQBRK-MRXNPFEDSA-N 438.515 4.480 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N4CCCCC4)nc3)cc2F)C[C@@H](C)O1 916681904 MHHISVKXXAMTCD-HDICACEKSA-N 441.551 4.146 10 20 IICD C[C@H]1CCc2c(sc3ncnc(NCc4ccc(N5CCC[C@H](C(N)=O)C5)cc4)c23)C1 917391129 MMJZVEPHMITYSJ-RDJZCZTQSA-N 435.597 4.130 10 20 IICD COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 918119132 MKKXKFYKBIRSQV-UHFFFAOYSA-N 449.507 4.079 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ncc(-c4ccccc4)o3)cc2F)C[C@H](C)O1 918213650 OSZFNYWHQJALBY-IRXDYDNUSA-N 438.503 4.094 10 20 IICD Cc1cnn(CC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 919609534 NNOKZARNGUIMQP-INIZCTEOSA-N 431.439 4.015 10 20 IICD COc1ccc(OC)c(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 920194171 LQYKQKKYMLXBQC-UHFFFAOYSA-N 432.480 4.417 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1318176538 SVZUZTPVWONMHY-UHFFFAOYSA-N 426.561 4.119 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1-c1ccccc1 1319016213 KDXVNFYIGDTIPQ-UHFFFAOYSA-N 429.520 4.316 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H]2CCCCO2)C3)cc1 1800512980 SQQJXNDGRDLCHE-VHXCZSFDSA-N 449.595 4.305 10 20 IICD CC(=O)N[C@H](CC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C)c1cccs1 11942849 FAVJPRKIEQZVIF-HXUWFJFHSA-N 442.512 4.288 10 20 IICD COc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C(N)=O)cc1OC 63682878 AISVGIVRUVYVEG-UHFFFAOYSA-N 427.888 4.116 10 20 IICD Cc1cc(C(=O)NCCCOC[C@H]2CCCO2)c(C)n1-c1cccc(Br)c1 110884587 IFWSJVYYMVANJH-LJQANCHMSA-N 435.362 4.172 10 20 IICD C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Br)cc1 302833596 PNWUYEJGVLAZJL-OXJNMPFZSA-N 447.373 4.013 10 20 IICD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C 501435320 NFBRXKXBGPSESX-UHFFFAOYSA-N 432.568 4.430 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3noc(C)n3)c3ccccc3OC)ccc21 505264690 MPNNUVNFQXWILU-QHCPKHFHSA-N 448.523 4.124 10 20 IICD COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 727246780 WZIHMAJOFJMVHO-UHFFFAOYSA-N 444.943 4.121 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1 729061763 KFYDLVCXSJCIQN-ZDUSSCGKSA-N 426.419 4.162 10 20 IICD COc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2)c1 729063076 XMKYECKHODCBNZ-HNNXBMFYSA-N 436.464 4.018 10 20 IICD Cc1cc(-c2csc(NC(=O)C3=NNC(=O)C3)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 732261743 LESVSZMFGWJTJW-UHFFFAOYSA-N 448.335 4.339 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 734219167 QDOJAFJNPKHOSQ-GOSISDBHSA-N 429.517 4.097 10 20 IICD CCS(=O)(=O)CCSc1ncc(-c2ccc(Br)cc2)n1CC(C)C 735619173 XEGXHMWAWMIRPV-UHFFFAOYSA-N 431.421 4.495 10 20 IICD C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 740908395 ZEUVKAZJAFNACM-OAQYLSRUSA-N 438.641 4.046 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cnc3ccsc3c2)NC(=O)OC(C)(C)C)cc1 742750006 LFVRMKKEPOHVKS-IBGZPJMESA-N 440.569 4.358 10 20 IICD O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1C(C1CC1)C1CC1 743281892 HJQRPYSGDMNZRW-GIDUJCDVSA-N 425.478 4.407 10 20 IICD COc1ccccc1C1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 743576694 AFSYYNKLBKZEKL-KRWDZBQOSA-N 445.510 4.296 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3ccc(N4CCOC4=O)cc3)c2C)cc1 744510126 AVDXAJPYMGJORO-UHFFFAOYSA-N 448.475 4.099 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 745792320 BVMBNGFQPSAWKV-UHFFFAOYSA-N 432.609 4.320 10 20 IICD CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)cc(C(C)=O)c1O 750047741 WFQDDJNPLRKMTP-UHFFFAOYSA-N 428.838 4.015 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3c[nH]c4cccc(Br)c34)CC2)cc1 753998067 FEHRGQXKYFBGIC-UHFFFAOYSA-N 442.357 4.267 10 20 IICD Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1cccc(Br)c1 754759697 WLLWDKOGQUTUCP-HNNXBMFYSA-N 431.330 4.024 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1 756335350 HWRBDXMLEZJFNE-XMMPIXPASA-N 437.584 4.392 10 20 IICD Cc1ccc([C@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(O)c1C 756462127 ZEKUPIDYBLMMJN-SFHVURJKSA-N 442.556 4.477 10 20 IICD C[C@@H]1CN(C(=O)c2ccc(CN[C@H](C)c3ccc(Br)cc3O)cc2)C[C@@H](C)O1 756480342 VGEARRCTFVHPKK-BZUAXINKSA-N 447.373 4.255 10 20 IICD C[C@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O 756517179 NUNKEKYKNCXVPX-DJJJIMSYSA-N 430.417 4.413 10 20 IICD C[C@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)cc(F)c1O 757639228 NSJHHJADFBZPIG-KSSFIOAISA-N 437.353 4.101 10 20 IICD Cc1cc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(C)n1-c1ccccn1 760033453 CCPDYQONKSSHSG-FQEVSTJZSA-N 427.451 4.304 10 20 IICD C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 765608015 GYBFCSSUSBTKLF-GOSISDBHSA-N 428.598 4.473 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 765895472 YNILJKHUBGCNRM-KRWDZBQOSA-N 443.511 4.442 10 20 IICD Cc1cccc([C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccn2)c1 766252208 QALXNTMGQAZBQS-VWLOTQADSA-N 448.542 4.079 10 20 IICD COc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC(F)F 768913423 ZQOIFUHHGVRMJC-OAHLLOKOSA-N 440.874 4.050 10 20 IICD CN1CCN(c2ccc(/C=C(/Cl)c3nnc(C(=O)Nc4ccccc4)s3)cc2)CC1 771518687 VGWDVIWSDNRNBH-XDJHFCHBSA-N 439.972 4.279 10 20 IICD COc1ccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1-n1cnnn1 772148041 KLQITULTKVDXNX-UHFFFAOYSA-N 442.483 4.405 10 20 IICD C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1Cl 772977267 BMULHYUKTJVJBE-MGPUTAFESA-N 434.367 4.286 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 782583301 QVPTYQPSDXDSSB-UHFFFAOYSA-N 438.528 4.481 10 20 IICD CCCc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1 783088049 FGAODJQIRNQTIB-UHFFFAOYSA-N 433.556 4.325 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 785816453 YMVZDHMVPYXOHX-OAHLLOKOSA-N 444.482 4.143 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CSc2ccc(Br)cc21 787263527 OVGRRYXRULLWRL-SFHVURJKSA-N 430.371 4.472 10 20 IICD C[C@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 788909360 OGCOLXHWGXGNRG-SFHVURJKSA-N 439.531 4.028 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2F)sc(C)c1-c1ccccc1 789007447 NSNYUPPUBTVNRZ-UHFFFAOYSA-N 442.468 4.230 10 20 IICD O=C(NC[C@@H]1CCC2(CCCCC2)O1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 790283848 LMRHJIWGJGALPY-FQEVSTJZSA-N 437.531 4.438 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 792232885 WZRPXMXCWQMTNO-GOSISDBHSA-N 446.389 4.208 10 20 IICD Cc1ccn(-c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)n1 793035157 LJYOBALDCDMWAH-UHFFFAOYSA-N 432.524 4.186 10 20 IICD COc1cc(Br)cc(CNCc2ccncc2OCc2ccccc2)c1O 796450249 OJQXGSJQRZENKE-UHFFFAOYSA-N 429.314 4.427 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](N4CCCCC4=O)C3)cc2Cl)C1 799994067 IHCFLAQBQRRUIR-QUCCMNQESA-N 447.023 4.263 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc5c4CCCC5)n3)ccc2N1 800728164 CRHSSUWQHAAAEP-UHFFFAOYSA-N 439.562 4.374 10 20 IICD COCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802443491 CAAYBAPPKHLBON-UHFFFAOYSA-N 437.563 4.281 10 20 IICD C[C@H](NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(N(C)C)cc1 807636286 RZEIEKIICWOPBL-INIZCTEOSA-N 447.501 4.187 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1ccc(N(C)C)cc1 807677366 OCFHUOUKOJUAHW-HNNXBMFYSA-N 433.474 4.140 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 809144266 IZPQQTYGVNDBQA-DEDYPNTBSA-N 427.547 4.458 10 20 IICD CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N[C@@]2(C)CCOC2=O)cc1 813296727 XYLYRXQWFCVHPW-OKQIWEBOSA-N 441.531 4.223 10 20 IICD C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1OCCc2sccc21 814115983 ACKNTVDYUNKLJS-AUSJPIAWSA-N 436.524 4.385 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc1 817113991 LANVLLBTUUGHFH-QGZVFWFLSA-N 428.558 4.065 10 20 IICD Cc1cc(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 913022975 MHJBOSUBLHDBMW-UHFFFAOYSA-N 431.945 4.300 10 20 IICD CN(Cc1nccn1C(F)F)[C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O 913102592 LMLSMGLVCYGKMD-GOSISDBHSA-N 438.438 4.458 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 915141260 WGXCLHUKINEUMF-UHFFFAOYSA-N 431.462 4.405 10 20 IICD CNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cc1 917928139 WUXLDPUITCNWPC-UHFFFAOYSA-N 426.314 4.469 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([C@H](C)NC(C)=O)s3)n2)s1 918744115 XERCBNRZHMYXEQ-JTQLQIEISA-N 441.625 4.493 10 20 IICD Cc1cccc(OC[C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 919781144 GOHMEJWHJOJYLM-GBESFXJTSA-N 429.536 4.014 10 20 IICD Cc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c(C)n1-c1ccc(F)cc1 919862594 QLLUWBMEYLKRTI-UHFFFAOYSA-N 440.563 4.470 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C(N)=O)cs3)c2C)c1 920602698 QQDHXNUYMSHHJG-UHFFFAOYSA-N 428.535 4.016 10 20 IICD CC(=O)c1cccc(S(=O)(=O)NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1115856821 LLAXZZNLYKXIDH-UHFFFAOYSA-N 430.913 4.069 10 20 IICD Nc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(Br)cc1[N+](=O)[O-] 1321446308 NCGBSXVDFNQUDE-UHFFFAOYSA-N 446.257 4.081 10 20 IICD CN(c1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)C1CCCCC1 109295086 PXUIGAACAWCINP-UHFFFAOYSA-N 433.552 4.148 10 20 IICD Cc1cc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)ccc1O 148636251 HHHPMFWYTOGHSG-UHFFFAOYSA-N 435.137 4.335 10 20 IICD CCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1 303425623 AOGHFJNVMIFRQF-ZDUSSCGKSA-N 442.507 4.121 10 20 IICD CCn1cc(-c2nn(C)cc2C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cn1 433730765 VSPZLALVQITTNT-UHFFFAOYSA-N 440.345 4.148 10 20 IICD COc1cccc2[nH]cc(Cc3noc(-c4ccc(NC(=O)C5=S=CC=C5)c(C)c4)n3)c12 545034583 HDVLIXBPUCAQMG-UHFFFAOYSA-N 444.516 4.342 10 20 IICD COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726722889 WXNPEHMAHQRMHR-UHFFFAOYSA-N 449.498 4.116 10 20 IICD Cc1ccc(C(=O)N2CCC(NC(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)cc1 727606342 HMQMEPGRMFTEEL-UHFFFAOYSA-N 447.535 4.310 10 20 IICD Cc1cc(C(=O)COC(=O)CCN2CCCC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 727914717 ZMDDKVQFRAZCSE-UHFFFAOYSA-N 437.323 4.139 10 20 IICD CCCN1CCN(c2ccc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)cc2Cl)CC1 729038545 XYYANAKFOIXLCC-MRXNPFEDSA-N 446.979 4.469 10 20 IICD O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1ccc(N2CCSCC2)cc1 729322709 KINJIOHMWXGIGK-UHFFFAOYSA-N 427.957 4.407 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1F 731408817 XABGFQPVZLHXEQ-UHFFFAOYSA-N 427.520 4.248 10 20 IICD Cc1cc(C(=O)NCC[S@@](=O)C(C)(C)C)c(C)n1-c1cccc(Br)c1 732768237 FNMNNNQAPQTZQD-RUZDIDTESA-N 425.392 4.134 10 20 IICD C[C@@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 733847786 HWQVTVJEOYAOQG-NLFFAJNJSA-N 437.584 4.368 10 20 IICD COc1ccc(O)c(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 734014904 KVSBBEXXKDHRHW-UHFFFAOYSA-N 448.563 4.163 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1COCc1ccccc1 734701794 HUMNXQYVRQIGSM-UHFFFAOYSA-N 431.536 4.033 10 20 IICD Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC1CCOCC1 738959979 LKNJBFHTUHLNBJ-LJQANCHMSA-N 439.556 4.272 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 741712334 UFXUFNWUXSMJNJ-UHFFFAOYSA-N 441.373 4.079 10 20 IICD CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743097592 LEWFGDFQQFTREH-KRWDZBQOSA-N 432.471 4.345 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 743180964 ORSQYVRNQSQITJ-UHFFFAOYSA-N 443.525 4.371 10 20 IICD CCOC(=O)N1[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC[C@@H]1c1ccc(C)o1 743716949 CCRNRJRNCYKYPA-UXHICEINSA-N 426.513 4.151 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OC[C@H]2CCCO2)c1 743807580 IPIMRWWRUMBACJ-LJQANCHMSA-N 434.330 4.375 10 20 IICD CC(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743974876 JFOZRVVZBUEAAT-MRXNPFEDSA-N 431.483 4.135 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(N2CC=CC2)cc1 745835969 ADTFVNQTRYXHFT-UHFFFAOYSA-N 430.346 4.263 10 20 IICD COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)cc1 746137853 RQNIQDNJNVSEFJ-QGZVFWFLSA-N 435.490 4.056 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 746343195 CLKIMIYKKREOHP-ZDUSSCGKSA-N 449.345 4.218 10 20 IICD CCCOc1ccc([C@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC 753842383 HUKVFTUYTGJIFG-KRWDZBQOSA-N 445.535 4.225 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(F)c(C(F)(F)F)c3)SC2=S)cc1 755379964 NBTYVQDUMVZJAP-ZSOIEALJSA-N 426.416 4.349 10 20 IICD C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1O 756599311 ZJUNUYGCTMYAGS-AWEZNQCLSA-N 432.929 4.487 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nc(-c4cccc(Cl)c4)ns3)CC2)cc1F 758049241 YSBARSJVDMRBOR-UHFFFAOYSA-N 447.923 4.360 10 20 IICD O=C(NCCOc1ccc(C(F)(F)F)cn1)N(Cc1ccco1)Cc1ccccc1O 761779277 QRYDWBOGKIIVFS-UHFFFAOYSA-N 435.402 4.190 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 762977786 UBTOHHYVSPEXGS-UHFFFAOYSA-N 426.520 4.315 10 20 IICD CCc1ncc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)s1 763491562 NYVMNEUADFFVFU-UHFFFAOYSA-N 436.403 4.454 10 20 IICD C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 765011709 KDUIXGPMBBNVTJ-MBSDFSHPSA-N 427.976 4.191 10 20 IICD C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cnc2ccsc2c1 765277212 QHZHOBMUVIWMMU-QGZVFWFLSA-N 448.571 4.403 10 20 IICD COc1ccc(C)cc1[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765283285 YRFSFKLDUCTGMH-LJQANCHMSA-N 435.547 4.110 10 20 IICD COc1ccc(-c2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)n[nH]2)cc1 765384949 KFCSSEWWZMIBHB-UHFFFAOYSA-N 442.466 4.086 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccccc2NC(C)=O)cc1 767906485 XPTYUTXUZOEPFN-UHFFFAOYSA-N 431.536 4.496 10 20 IICD CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)s1 770719406 QHBIJZFORVMWTO-UHFFFAOYSA-N 449.623 4.377 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 773762526 KURZIIXOOVMASX-XEKQOVJPSA-N 437.334 4.300 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1O 775119366 AMZDWQVCPNOLHE-UHFFFAOYSA-N 430.810 4.456 10 20 IICD C[C@@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCOCC2)cc1 775254790 JQQQRNBMVKHMBQ-MRXNPFEDSA-N 440.544 4.075 10 20 IICD COc1cc(O)c(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1OC 776175790 RQMAPURKNOPWDG-UHFFFAOYSA-N 425.356 4.470 10 20 IICD Fc1cc(Cl)cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 776800146 QMLKMDJPUPZFAE-UHFFFAOYSA-N 429.902 4.025 10 20 IICD Cc1ccnc(-c2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)c2)n1 782895748 FOKIZZLJVSPRNR-UHFFFAOYSA-N 444.535 4.458 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4Cl)o3)cc2)CC1 786256658 IZDFKXXIVXNYRN-UHFFFAOYSA-N 437.927 4.199 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)CCCCCO[C@H]3CCC[C@H](C)C3)cc2)CC1 786261861 GSNIMVFNTSQUIE-OFVILXPXSA-N 443.632 4.127 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3-c3ccc(F)cc3)cc2)CC1 786657130 SWAQEPDMQIKCPD-UHFFFAOYSA-N 437.540 4.153 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1O 788651285 KFBNSEMWVMLKLD-OAHLLOKOSA-N 442.503 4.436 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1cncc(Br)c1)C1CC1 790731325 JWUKOQTXWHFUKW-FQEVSTJZSA-N 427.346 4.171 10 20 IICD Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 793161348 FBRFBWCMDYPJTN-UHFFFAOYSA-N 425.529 4.109 10 20 IICD Cc1c(CC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C 795870411 IWIDGZTUPIUWBU-INIZCTEOSA-N 445.466 4.095 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 799784711 AKAMQXZOJKGKKZ-LJQANCHMSA-N 426.561 4.256 10 20 IICD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 799834807 IXFLUPZDWRWPLW-LJQANCHMSA-N 431.536 4.456 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 804758704 LYTJQQNSTAFIIF-QGZVFWFLSA-N 437.540 4.042 10 20 IICD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)C2)c1 807838019 HLMXDEIRLZWIHI-HNNXBMFYSA-N 435.351 4.484 10 20 IICD COc1ccccc1CN(OC)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 812024099 IJBNZSYAXYPHJX-UHFFFAOYSA-N 435.471 4.039 10 20 IICD Cc1cnn([C@H]2CCN(C(=O)c3cc(C)n(-c4ccccc4Br)c3C)C2)c1 812380936 RCBQAHCEOQMSQU-KRWDZBQOSA-N 427.346 4.449 10 20 IICD C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCNC2=O)cc1 812940518 BUTJSSNNVDPJJF-GFCCVEGCSA-N 437.327 4.179 10 20 IICD C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1OCCc2sccc21 814108154 HLKBFGKOKKDJNF-VLIAUNLRSA-N 436.524 4.385 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2nn(C)c3ccccc23)cc1 857450422 WDHRNRQCTRSCHW-UHFFFAOYSA-N 428.536 4.424 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 914456100 PTQPCBYKXQPTPW-NRFANRHFSA-N 431.536 4.466 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 915320731 WVOSSKPGURXMEI-ROUUACIJSA-N 445.633 4.262 10 20 IICD CCn1cnnc1CNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916580696 QENWLERBXWUJFH-SFHVURJKSA-N 446.477 4.293 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916670636 ZSFYKSOZBKMJCX-OAQYLSRUSA-N 425.529 4.087 10 20 IICD COc1ccc(NC(=O)NCCCN(C)c2ccccc2F)cc1OCc1ccncc1 918031613 LCZRUKOVDXAMER-UHFFFAOYSA-N 438.503 4.456 10 20 IICD Cc1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)n1-c1ccccc1Br 918077853 IDJHPSKQGIRKCZ-UHFFFAOYSA-N 430.277 4.347 10 20 IICD O=C(NCc1cc(F)ccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 918104792 YFMCQLCPIIXKOU-KRWDZBQOSA-N 437.309 4.185 10 20 IICD CC(C)Oc1ccc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918204957 WHVRYADVBWAJLL-OALUTQOASA-N 443.563 4.268 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)F 918208179 MEJWCGCFVPLXMA-OAQYLSRUSA-N 447.526 4.447 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 918212798 ZKKSZSWVBVFBMA-UHFFFAOYSA-N 443.595 4.490 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C2CC2)cc1 918221943 SUJATVWGELMJEY-QZTJIDSGSA-N 441.547 4.322 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1 918739463 BOPBKHPWPGMSOB-CYBMUJFWSA-N 435.596 4.486 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccccn1 919833693 UONLSVJJGMIBCV-UHFFFAOYSA-N 436.943 4.131 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NCC1(c2ccc(Cl)cc2)CCOCC1 919921012 JNBKZFVBVYVNKO-UHFFFAOYSA-N 427.976 4.488 10 20 IICD C[C@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 920873287 SWOIVFAXPWBEIZ-SIKLNZKXSA-N 439.556 4.354 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(=O)n(C)c3ccccc23)cc1 1318666611 ZRRZYWLGGAPXCA-UHFFFAOYSA-N 441.531 4.460 10 20 IICD C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(N(C)C)cc1 1320720279 QZUSEVKGGUISST-ZDUSSCGKSA-N 431.309 4.331 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1 1792298543 AKQYTKDYUMKRKJ-ODHXBGJQSA-N 448.519 4.307 10 20 IICD CC1(C)CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)C1 1822475311 JILPSXKLEHPPPA-MRXNPFEDSA-N 446.935 4.216 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1C 18215503 WRLHNUKMVDKKFR-UHFFFAOYSA-N 437.565 4.100 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCCCO3)SC1=S 208552201 SMAIZAXRKQALQI-PTNGSMBKSA-N 441.958 4.348 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)nn3-c3nc(C)cc(C)n3)ccc21 590675282 OMLHHUKEYSHHCV-UHFFFAOYSA-N 432.528 4.058 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)cn1 726986784 XXXJUXBYFZPTRO-LZYBPNLTSA-N 428.926 4.335 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NCC(=O)c2ccccc2)cc1 728087194 YSRNUNFRQBGDFC-UHFFFAOYSA-N 444.491 4.324 10 20 IICD CCCN(CC)C(=O)c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 729324171 WZQWNUAVLMRXHW-UHFFFAOYSA-N 425.598 4.042 10 20 IICD COc1cc(F)c([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 734068603 DKFMHQYSQYFHMB-DOTOQJQBSA-N 432.492 4.000 10 20 IICD C[C@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 734943622 YFBHJVMDFZGKLU-LEWJYISDSA-N 436.600 4.109 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735520147 WWXKYSMCQLPJLM-JOCHJYFZSA-N 437.515 4.084 10 20 IICD COc1ccc(Br)cc1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 740919188 GRXUVSXIFBXMOS-UHFFFAOYSA-N 430.346 4.176 10 20 IICD COc1ccc2c(ccn2CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742799189 ICXJZUMZIIIICC-QGZVFWFLSA-N 429.467 4.037 10 20 IICD CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 743045821 ALAMQCUDPONPFE-UHFFFAOYSA-N 430.507 4.178 10 20 IICD O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N(Cc1ccco1)Cc1ccccc1O 743428522 AHHDFGCZLKNJGS-UHFFFAOYSA-N 442.397 4.427 10 20 IICD CC(C)OCCOCc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 744806737 OSVUWMUOIVENMY-UHFFFAOYSA-N 441.572 4.129 10 20 IICD CN(c1ccc(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1)C1CCCCC1 745783845 FLKLWLMYGSBSNZ-UHFFFAOYSA-N 444.583 4.439 10 20 IICD CN(C[C@@H]1OCCc2ccccc21)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905848 RQXCVSKYFNYDHP-GCJKJVERSA-N 445.510 4.212 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cc1 747475628 CCZBBZBTDKLHER-UHFFFAOYSA-N 447.583 4.241 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1SC(F)(F)F 749405770 IYNDRCIKUYMYPT-UHFFFAOYSA-N 428.451 4.329 10 20 IICD O=S1(=O)CC[C@@H](N(Cc2ccccc2F)Cc2c(O)ccc3oc4c(c23)CCCC4)C1 753169320 KGCLVWDASJOYNL-QGZVFWFLSA-N 443.540 4.346 10 20 IICD COc1ccc(N2CCN(C(=O)CCc3ccc(Br)cc3F)CC2)cc1F 753741143 CWVHEIGDSVTUNB-UHFFFAOYSA-N 439.300 4.017 10 20 IICD COc1ccc(N2CCN([C@@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1F 753856599 HWQCGENABKFVLD-KRWDZBQOSA-N 446.592 4.167 10 20 IICD C[C@H](NC[C@H](c1ccco1)N(C)C)c1cc(Br)cc(Br)c1O 756352655 VUZWCUZCJYXQSM-IINYFYTJSA-N 432.156 4.464 10 20 IICD COc1ccc([C@H](O)CN[C@@H](C)c2cc(Br)cc(Br)c2O)cc1 756381053 JEWTWIFPZCAKND-MGPLVRAMSA-N 445.151 4.310 10 20 IICD COc1ccccc1[C@H](CO)N[C@H](C)c1cc(Br)cc(Br)c1O 756710703 FSLGABBPIHSVPW-BMIGLBTASA-N 445.151 4.310 10 20 IICD CCNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1 756801681 CRNXHINOHMPROR-NSHDSACASA-N 427.726 4.496 10 20 IICD C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O 756872980 FOUFTOHIIDMFMX-MGPUTAFESA-N 444.532 4.283 10 20 IICD CCC[C@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759215896 KLXNKUSEYFWOEG-FQEVSTJZSA-N 427.545 4.085 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 761751644 IJGRUXPKANGBOT-IBGZPJMESA-N 445.357 4.003 10 20 IICD Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 762269919 FCCKADTXZDUITK-URXFXBBRSA-N 434.584 4.052 10 20 IICD COCCOc1cccc(CNC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1 762780703 GPKLWSVCRIEWTN-UHFFFAOYSA-N 434.492 4.348 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1 764156898 HETTZIPSLHOMMQ-GFCCVEGCSA-N 430.302 4.148 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1 764156902 HETTZIPSLHOMMQ-LBPRGKRZSA-N 430.302 4.148 10 20 IICD CC(C)c1nc2ccc(NC(=O)C(=O)NCc3cccc(Br)c3O)cc2s1 765926547 MSPGOAQQJHWNOU-UHFFFAOYSA-N 448.342 4.143 10 20 IICD O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)cc1 766236106 DAVVXDQTURZUHE-GOSISDBHSA-N 446.498 4.424 10 20 IICD Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c1 767899825 OOFWLISHMNTQCF-UHFFFAOYSA-N 431.496 4.028 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768915997 OUIMTDKBIPQERJ-HNNXBMFYSA-N 427.854 4.162 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 772117199 GCSZDMGYVOLKKT-NRFANRHFSA-N 437.569 4.306 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ncc1Br 773630551 VOMIKQBZVYWJRI-UHFFFAOYSA-N 446.345 4.158 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 773765238 VQQHVVHGVPYDCL-MGPUTAFESA-N 434.378 4.433 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1O 774865667 VJSBMHKROAHYLQ-DLBZAZTESA-N 435.521 4.063 10 20 IICD COc1cc(O)c(CNc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1OC 776254930 OUTVRYQURLAJCH-UHFFFAOYSA-N 447.579 4.386 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CC[C@H]3SCCS[C@H]23)NC(=O)OC(C)(C)C)cc1 777300575 FBTUQQWDQKVRRQ-IYWMVGAKSA-N 437.675 4.288 10 20 IICD CN(c1ccc(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1)C1CCCCC1 777854339 ZLUBXNCLCVKSAK-UHFFFAOYSA-N 434.989 4.442 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 778930279 RYDJEELNEUBEJM-UHFFFAOYSA-N 441.281 4.043 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1O 779022139 MTSJYRBHMNCBIQ-LAUBAEHRSA-N 432.406 4.102 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N4CCN(C(C)=O)CC4)c3)c2C)cc1 781272237 ZHBGLBXTFMNPOX-UHFFFAOYSA-N 446.551 4.024 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cccc([N+](=O)[O-])c1Br 782124039 NQKHJTXEVBZWAY-UHFFFAOYSA-N 438.241 4.319 10 20 IICD COC(=O)[C@](C)(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 787915732 UYMHLJYYGWSKQI-RUZDIDTESA-N 444.491 4.288 10 20 IICD C[C@@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1)C(=O)O 794687109 QPJMSJJFKJGLER-FDIDITGRSA-N 428.535 4.010 10 20 IICD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(-c2ccco2)cs1 795549650 RJMNOESXHWMQHZ-UHFFFAOYSA-N 433.294 4.297 10 20 IICD O=S(=O)(NCc1cccc(Br)c1O)c1c(Cl)cc(F)cc1Cl 797835364 SSSUXCKYRFRKPM-UHFFFAOYSA-N 429.094 4.079 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 801968221 QUWGBVREENTZBX-QHCPKHFHSA-N 425.573 4.086 10 20 IICD Cc1c([C@@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)C)oc2ccccc12 805890212 FAHOJNGDUCPJEH-KRWDZBQOSA-N 431.583 4.310 10 20 IICD Cc1ccc(C(=O)N2CCC(NC(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)cc1 806703103 CFIRLCBGIPACGR-UHFFFAOYSA-N 436.339 4.111 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 807323074 OAHYJUDMHPGDLE-KBXCAEBGSA-N 434.418 4.060 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(-c2cccs2)c1 807386748 HMWGITCGPXLOTP-UHFFFAOYSA-N 431.311 4.138 10 20 IICD COc1ccc(N2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3C)CC2)cc1 809809257 UQHSIZSKIFPSBQ-HXUWFJFHSA-N 435.572 4.297 10 20 IICD CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812030781 QVCIEOROJQVAKM-UHFFFAOYSA-N 441.963 4.352 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 813035073 IVDHQUSPCQWRFN-LJQANCHMSA-N 445.454 4.101 10 20 IICD CC(=O)NCc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 828597936 RRLVOWYVBYTXIV-QFIPXVFZSA-N 449.576 4.340 10 20 IICD CN1C(=O)Cc2cc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)ccc21 828603856 JIQMEPGQNPELCO-FQEVSTJZSA-N 447.560 4.223 10 20 IICD COC(=O)c1c(NC(=O)[C@@H]2COCCO2)sc(C)c1-c1ccc(Cl)cc1Cl 915148574 IMPNKRHTMZASHJ-ZDUSSCGKSA-N 430.309 4.171 10 20 IICD O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccc(N=Nc2ccccc2)cc1 915303603 JKMVFLAYONNFSN-QFIPXVFZSA-N 425.558 4.431 10 20 IICD CC(=O)Nc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C 916678259 SOOOOEYWGJFUEG-HZPDHXFCSA-N 428.508 4.028 10 20 IICD CCOc1ccc(OC(C)(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917710518 JQAQXFVZJZUKTC-HDICACEKSA-N 444.547 4.312 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 918075003 NFGDESGQWSJKQT-IBGZPJMESA-N 438.572 4.102 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)cc1 918221941 SUJATVWGELMJEY-HDICACEKSA-N 441.547 4.322 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(OCc2cn3ccccc3n2)cc1 918374344 BSGQBJZCPMNAFT-UHFFFAOYSA-N 428.492 4.002 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 918624738 FYKDFROZVIBYTG-LJQANCHMSA-N 426.536 4.232 10 20 IICD C[C@@H](NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(N2CCOCC2)cc1 920881011 KYLTUZNLGFSNDR-OAQYLSRUSA-N 446.547 4.472 10 20 IICD Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(=O)c1ccco1 920882231 VKXVYGVSFZPWFK-SFHVURJKSA-N 433.508 4.168 10 20 IICD CN1CCN(c2ccc(CNc3nc4ccccc4n3CCc3ccccn3)cc2F)CC1 1116631226 MEUZGKAITZALNL-UHFFFAOYSA-N 444.558 4.177 10 20 IICD CC(C)c1noc(CCN[C@@H](C)c2cc(Br)cc(Br)c2O)n1 1323829197 IBGQTYOPHFVYPO-VIFPVBQESA-N 433.144 4.317 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 1337490711 VIBRROFKYODRQU-UHFFFAOYSA-N 437.927 4.472 10 20 IICD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3c(Cl)ccc4nonc34)cc2)cc1 1346940172 DFTXGDUSQDKHEG-UHFFFAOYSA-N 441.896 4.411 10 20 IICD Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775930 XPRDHDDENOSTAL-UHFFFAOYSA-N 441.871 4.109 10 20 IICD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)cc1 1845399119 SMYLUMCDJKBPCX-UHFFFAOYSA-N 443.547 4.234 10 20 IICD CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nnc1C1CC1 17769634 DZCDEMKKZLOGGL-UHFFFAOYSA-N 438.553 4.345 10 20 IICD Cc1cc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1ccc(F)cc1 72054336 UTWCBMMDJIOYNN-UHFFFAOYSA-N 434.559 4.407 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 435824115 GPAABNOYASWRQZ-JIPXPUAJSA-N 431.580 4.302 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3nc(-c4ccncc4)no3)C(C)C)ccc21 483583116 JDEUHZWZWBXNRI-JOCHJYFZSA-N 447.539 4.477 10 20 IICD C[C@@H](CCc1ccc(O)cc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610589 LUMIMWQPENDFNO-INIZCTEOSA-N 433.499 4.283 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccc(Cl)cc2)CCC1 727034469 SKUPUZBAFFRQJE-UHFFFAOYSA-N 442.003 4.470 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)n2)cc1 727248539 GMFVXCGKTJNFPM-UHFFFAOYSA-N 431.539 4.358 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1ccc(OC(F)F)cc1 731164489 GCVLBAJGBYLGRM-UHFFFAOYSA-N 443.498 4.294 10 20 IICD Cc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccccc1C(C)C 731857062 WSBDOSIAILXBAL-HXUWFJFHSA-N 434.540 4.226 10 20 IICD Cc1cc(CC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)c(C)n1-c1ccc(Cl)cc1 732075662 DPXQWFCOIBEFFN-MRXNPFEDSA-N 444.004 4.113 10 20 IICD C[C@@H](NC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 733658185 ROYLBUJJUWMVSE-KNQAVFIVSA-N 425.573 4.212 10 20 IICD COC(=O)c1ccnc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 733993651 WBQSWZFDBYAPGB-UHFFFAOYSA-N 428.286 4.291 10 20 IICD CCc1nc(COc2ccc(C(=O)NCc3ccc(N(CC)CC)c(F)c3)cc2)no1 734437594 HZRNCISIMOSECO-UHFFFAOYSA-N 426.492 4.126 10 20 IICD CC(C)(C)OC(=O)Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 743228790 UWDHQPWEVVVOPU-NRFANRHFSA-N 440.540 4.490 10 20 IICD CCN(Cc1cc(Br)ccc1O)C[C@H](O)COCc1ccccc1Cl 743870830 CNIOEILHVNZGEF-KRWDZBQOSA-N 428.754 4.208 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3nnc(O)c4ccccc34)c2C)c1 745885065 LUAHFHHQVHSGTB-UHFFFAOYSA-N 429.476 4.399 10 20 IICD O=C(NCC1CCN(Cc2cccs2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 747308633 SEVPWDWQEGREMB-OAQYLSRUSA-N 443.613 4.057 10 20 IICD CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C12CCCCC2 748620513 YEHUYJWWIBHBAE-XZOQPEGZSA-N 447.595 4.056 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 748861625 CZLDFTNFFVQWBI-UHFFFAOYSA-N 443.613 4.482 10 20 IICD COc1cccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1O 752597444 WWCKVEPZGQGPRK-MGPUTAFESA-N 448.922 4.198 10 20 IICD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 752641016 IXFHKJQULKFYBS-INIZCTEOSA-N 436.917 4.254 10 20 IICD O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1ccc(N=Nc2ccccc2)cc1 753850434 LIDZVGHNJSTDIS-SFTDATJTSA-N 426.542 4.082 10 20 IICD C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)c(F)cc1O 756512421 XZROZPYOWLHZHF-IFXJQAMLSA-N 435.337 4.178 10 20 IICD COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(Br)cc(Br)c1O 756710709 FSLGABBPIHSVPW-ZUZCIYMTSA-N 445.151 4.310 10 20 IICD COc1ccc(N2CCC(NCCc3cn4cc(Br)cc(C)c4n3)CC2)cc1 757690664 XTADLAPXLMXSIL-UHFFFAOYSA-N 443.389 4.215 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1cc(Br)ccc1F 758157762 FEMLKUQWVGKHQW-UHFFFAOYSA-N 435.337 4.016 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(Br)c1 762502452 FCVMRGKGDOZKKP-UHFFFAOYSA-N 430.736 4.422 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc2n[nH]cc12 767128895 PFPAPFAUBGTFCT-UHFFFAOYSA-N 433.434 4.048 10 20 IICD CCN(Cc1cc(Br)ccc1O)Cc1c(C)nn(C)c1OCC(F)(F)F 769541828 WECUTUCXSCQDPB-UHFFFAOYSA-N 436.272 4.160 10 20 IICD C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]2CCCC[C@@H]21 769689906 PCFFCUDVIHZJSX-KYJSFNMBSA-N 434.583 4.295 10 20 IICD CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 771930172 VYWYMWPMCDJFAU-UHFFFAOYSA-N 426.517 4.054 10 20 IICD C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N2CCCCC2)c(F)c1 775578364 WBQNILMZNSNGIQ-KRWDZBQOSA-N 449.567 4.346 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc(Cl)cc(C(F)(F)F)c3)cc2)C1 780511554 PYQHOZKWEUZUSJ-INIZCTEOSA-N 425.882 4.350 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)n(-c2ccccc2)n1 783486602 PNECEXZYDWUXMF-IBGZPJMESA-N 439.519 4.496 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)CC2)cc1 788884601 AFBIMGRUPXECED-UHFFFAOYSA-N 433.332 4.088 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 788932252 MJKOZJIRPIPVND-UHFFFAOYSA-N 445.485 4.113 10 20 IICD Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2ccc(N3CCOCC3)c(F)c2)cn1 797604726 IFCLUFLKYMIFFF-UHFFFAOYSA-N 428.939 4.252 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCSC[C@@H]3c3cnn(C)c3)cc2Cl)C1 800719807 NTGIZVWSSQMCGZ-IIBYNOLFSA-N 448.036 4.310 10 20 IICD Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(-n2cc(Cl)cn2)n1 805326058 FFERWYKBOHVVFO-UHFFFAOYSA-N 440.718 4.241 10 20 IICD CCc1ccc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)cc1 806457473 MUVKDEMGSPEPPT-QFIPXVFZSA-N 439.575 4.438 10 20 IICD COc1cc(F)c(F)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 810273263 MZYYITCCQIMCEO-UHFFFAOYSA-N 427.398 4.365 10 20 IICD CN(CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 813733507 DYJFXSSAIJINIX-UHFFFAOYSA-N 443.591 4.251 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3c3ccncc3)cc2F)C[C@@H](C)O1 814283769 JMIBSUXIANSGGC-HYFFOGBASA-N 426.536 4.127 10 20 IICD CN(C)c1ccc(Cl)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822086487 UJKMJRDFORRRSS-UHFFFAOYSA-N 449.850 4.342 10 20 IICD O[C@@H](COc1ccccc1F)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 836232433 ANVQDKXQDZPPNH-OALUTQOASA-N 428.529 4.400 10 20 IICD CC(C)N(C)Cc1ccccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916387242 PPRUHHCZERLEAR-HSZRJFAPSA-N 425.573 4.123 10 20 IICD O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(N2CCSCC2)cc1 917386770 XINBIVZTZFBFPU-UHFFFAOYSA-N 440.544 4.068 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1 918195957 GAMRGTRJKFHIRH-UHFFFAOYSA-N 426.903 4.261 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3c3ccccc3C)CC2)cc1 918197818 NMUMTVHQDOHRMH-RUZDIDTESA-N 436.600 4.062 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cccnc3OCC(F)(F)F)ccc21 482726227 RMPMCCQSRJROSI-UHFFFAOYSA-N 435.446 4.171 10 20 IICD COc1ccccc1C1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726616946 XAEJCYCMJGMPFA-UHFFFAOYSA-N 445.510 4.296 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)cc1 726628508 YOLLLNFECVTJJL-RQZCQDPDSA-N 440.937 4.030 10 20 IICD CC(C)(C)c1nc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 726687087 SYAWMPBSBTYREG-UHFFFAOYSA-N 448.500 4.012 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 727480846 DXCYTGDESGQLEO-UHFFFAOYSA-N 447.501 4.415 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)ccc21 728516201 NAMUDXRVOLRQHI-UHFFFAOYSA-N 443.588 4.376 10 20 IICD CC(=O)Nc1ccc(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 729066970 RYRDOHTVEUBDMB-UHFFFAOYSA-N 429.480 4.358 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCC4=O)CC3)c2C)c1 729482169 LFXGIRDRPNCFIO-UHFFFAOYSA-N 425.598 4.086 10 20 IICD COc1ccc(C(=O)Nc2cccc(OCCNCc3ccc(N(C)C)c(F)c3)c2)cc1 733328430 UVHCGEVJNNXMFK-UHFFFAOYSA-N 437.515 4.321 10 20 IICD COc1cc(C)sc1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 733842252 PLTPRKPWZROROU-CYBMUJFWSA-N 449.484 4.025 10 20 IICD O=C(NCCCSc1nccs1)c1cccc(CS(=O)(=O)c2ccccc2)c1 733971929 GLVFMYMYHPAINI-UHFFFAOYSA-N 432.592 4.029 10 20 IICD O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 734843553 NYZGMPSWLFBTJQ-GHTZIAJQSA-N 437.462 4.209 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(-c4nccn4C)c3)cc2F)C[C@H](C)O1 736974386 XAIHYOKZCKGNBU-IRXDYDNUSA-N 437.519 4.162 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Br)c1 742797275 AKLFYJIYNWCFHD-OAHLLOKOSA-N 425.273 4.449 10 20 IICD COc1ccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c(OC)c1OC 743283870 HCECRLGZAATYAM-BRYHAGSVSA-N 443.546 4.437 10 20 IICD O=C(NCCc1cc(F)cc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743575645 JYRIQEMCIIMEFW-KRWDZBQOSA-N 425.426 4.077 10 20 IICD CC/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 744468686 WSTUBLCQAJSWCR-BKHFDQEPSA-N 425.960 4.152 10 20 IICD CCc1cc(N2CCC(NC(=O)N(Cc3ccccc3O)C3CCCCC3)CC2)ncn1 748663848 RMPMWHOEUPOWER-UHFFFAOYSA-N 437.588 4.258 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 749590959 UDIOWHKMGVZUPV-GBXCKJPGSA-N 439.600 4.137 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1N1CCSCC1 750320268 WTXGHHJHWVCSIR-NRFANRHFSA-N 441.597 4.467 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nnc2n(C)c(=O)c3sccc3n12 750615553 LCYJYIWOVCFISP-INIZCTEOSA-N 445.548 4.112 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)nc4)c3)CC2)cc1F 753739276 CRVOHQPNQFDICK-UHFFFAOYSA-N 435.499 4.079 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@H](Cc2ccc3c(c2)OCO3)C(=O)O)cc1 756359816 FWNTYACZYXZXCA-HSZRJFAPSA-N 432.520 4.227 10 20 IICD COc1cc(N2CCN(C(=O)/C(C)=C\c3cccc(Cl)c3)CC2)cc(OC)c1OC 759224849 HNABWXFAYFSRDB-VBKFSLOCSA-N 430.932 4.118 10 20 IICD C[C@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl 764573308 NUCNENWTEZNGDU-UUOWRZLLSA-N 447.982 4.040 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnc(Cl)c(Br)c1 767915920 YLFCCOFQKLFYAN-UHFFFAOYSA-N 441.782 4.372 10 20 IICD Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 769982944 JGRKDLYUQHNAMH-AWEZNQCLSA-N 445.566 4.029 10 20 IICD CCCN(C(=O)c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C 771547375 YXUZXRNPIHOPJW-UHFFFAOYSA-N 438.572 4.106 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 773769431 UXZCNHUMUMOBCA-LLVKDONJSA-N 437.279 4.333 10 20 IICD CN(c1ccc(CNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)cc1)C1CCCCC1 774194459 GGOAOBMJQIYVLV-HSZRJFAPSA-N 443.613 4.041 10 20 IICD COc1ccc(C2=NN(C(=O)CN[C@@H](C)c3cc(OC)ccc3O)[C@H](c3ccco3)C2)cc1 775370481 VQDLTUTXGHWWCW-AOMKIAJQSA-N 449.507 4.031 10 20 IICD C[C@H](NC(=S)Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 783731176 CZGGRLRZIABGKV-AWEZNQCLSA-N 425.476 4.469 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 784026077 ASBMTSGEDLEDES-UHFFFAOYSA-N 431.536 4.406 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 784627570 FVSUMVBARJBAGB-AREMUKBSSA-N 428.580 4.389 10 20 IICD Cc1cc(C)c(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1CO 786796109 YHDMMCSPHKUWDY-INIZCTEOSA-N 428.488 4.010 10 20 IICD COC(=O)c1csc(-c2cccc(CNC3CCN(c4ccc(OC)cc4)CC3)c2)n1 790707891 FWPMTHCTEANLEB-UHFFFAOYSA-N 437.565 4.364 10 20 IICD COc1ccc(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c(O)c1 794373855 NGDXFCQYTIGCKY-UHFFFAOYSA-N 442.581 4.119 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)ccc(C)c1Br 802609595 GFDPPEJNGIHDSL-UHFFFAOYSA-N 437.309 4.370 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3nn(C)cc3Br)cc2Cl)C1 816575607 SMTHWYQHZZYGLW-GFCCVEGCSA-N 425.758 4.002 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Br 916668100 HNHDTFYAUNCISG-UHFFFAOYSA-N 432.362 4.288 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1nc2ccccc2[nH]1 917558503 VAWLRGAXGYQARM-WJDWOHSUSA-N 443.575 4.349 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)cc(Br)c3)cc2F)C[C@@H](C)O1 917713233 JSMJBFYBLFAYFE-CHWSQXEVSA-N 439.300 4.271 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 1319733580 QUNIQGBPJVYIST-UHFFFAOYSA-N 425.529 4.395 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C(F)F)sc3C2)cc1 1812654292 VUGCHEIPECTMOE-OAHLLOKOSA-N 444.507 4.042 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 10963298 ZLVNGDWZRFXGQX-UHFFFAOYSA-N 430.552 4.321 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn(C)c3Cl)c2C)cc1 14364857 FMKSTAQMFXJZEL-UHFFFAOYSA-N 429.904 4.228 10 20 IICD CCN(CC)c1ncc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 236993915 YEKXYHMLMHNFKB-UHFFFAOYSA-N 428.524 4.135 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 726610651 NOTGGBAWZWNGEC-DEOSSOPVSA-N 439.556 4.132 10 20 IICD Cc1cc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c(C)n1-c1ccccn1 726984770 WXLCVQRUECWYCQ-UHFFFAOYSA-N 426.524 4.294 10 20 IICD Cc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCCC3)cc1 730965333 CVVOXRWRZHILLL-HXUWFJFHSA-N 444.579 4.387 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCC1(c2ccc(OCC)cc2)CCOCC1 731283869 HHKRZWBUGNHMAM-UHFFFAOYSA-N 426.557 4.461 10 20 IICD CCN(CC)C(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 734850075 UQCXPAKUXFGVRO-QFIPXVFZSA-N 431.527 4.456 10 20 IICD COCCOC1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 735061112 DEGTXVKYUVWAJK-UHFFFAOYSA-N 435.362 4.124 10 20 IICD Cc1oc2c(CN3CCN(CC4CCOCC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 736281462 FKDYMOGKFOQLIM-UHFFFAOYSA-N 448.563 4.018 10 20 IICD O=C(CNc1c(F)cccc1N1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 738295440 YNXQBKYLXOUKBZ-UHFFFAOYSA-N 443.478 4.252 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncccc3I)cc2F)C[C@@H](C)O1 740866444 QZDYWPHDROJCNB-BETUJISGSA-N 441.288 4.051 10 20 IICD COc1cc(N(C)CC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc(OC)c1OC 741799021 SFKTTYPEBQWJKL-QHCPKHFHSA-N 440.565 4.424 10 20 IICD O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2 743282089 IYEODGKBYGTQNS-IVJFUJKPSA-N 425.478 4.407 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@@H]1c1ccccc1 745648662 SUSJXMWPRSBAOJ-GCJKJVERSA-N 425.548 4.122 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)CC2)cc1 746094264 VAJDEJXGCZLHQI-UHFFFAOYSA-N 440.956 4.252 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC(Cc1ccccc1)Cc1ccccc1 746232484 TZHWZLCQALFGFP-UHFFFAOYSA-N 447.554 4.316 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C[C@H]4C=CS(=O)(=O)C4)n3)c2C)cc1 746455484 PIXBTFDCPZEWEU-QGZVFWFLSA-N 441.578 4.413 10 20 IICD CC(C)c1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1 753156554 AFWWVWYQNCPXLS-UHFFFAOYSA-N 437.519 4.293 10 20 IICD C[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1ccc(OCC(=O)NC2CC2)cc1 756427622 BJNFHPBWMWXYQU-KBPBESRZSA-N 433.346 4.224 10 20 IICD O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 760354404 XFYPUICDYFPWOZ-WIOPSUGQSA-N 446.482 4.462 10 20 IICD CC[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cc(Br)ccc1O 761500261 USTFRNRRONVZNV-ICSRJNTNSA-N 447.373 4.304 10 20 IICD Cc1cc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(C)n1-c1ccccn1 766028526 BXRHXXKEOVZLPI-HXUWFJFHSA-N 427.451 4.304 10 20 IICD O=C(NCc1ccc(O)c(Br)c1)N(Cc1ccco1)Cc1ccccc1O 767236523 JEYRAYOJJIKEMG-UHFFFAOYSA-N 431.286 4.365 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Oc2cnccn2)c1 771066194 PKCBGGOHDOPCKV-LJQANCHMSA-N 438.915 4.022 10 20 IICD Cc1ccc(C)n1-c1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)no2)cc1 771110789 ZBLUHPLZTJLCOY-UHFFFAOYSA-N 443.507 4.027 10 20 IICD COc1c(Br)cccc1/C=C1\SC(=S)N(CCc2ccccn2)C1=O 773901442 UCRFLXDVMTVAQB-PTNGSMBKSA-N 435.368 4.297 10 20 IICD C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(N2CCOCC2)cc1 780472609 UVDIJOPEOBHQCS-KRWDZBQOSA-N 427.504 4.009 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 784029287 ZTIPTPPXBNDVHU-UHFFFAOYSA-N 445.491 4.256 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)C2CCCCC2)cc1 784060054 VHEGPQZXRAVFJR-UHFFFAOYSA-N 437.931 4.412 10 20 IICD Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 788930427 AQXJAUBFNSUOBE-UHFFFAOYSA-N 442.563 4.009 10 20 IICD COc1ccccc1-c1nc(C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)no1 790500809 BBRBKLKGUZVINR-KRWDZBQOSA-N 449.555 4.461 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)CC2)cc1 795816001 RBXMGAOXYQZOEJ-UHFFFAOYSA-N 448.894 4.315 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 797647961 QTKRKRDLEHMXAU-GFCCVEGCSA-N 435.311 4.402 10 20 IICD CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800571615 LGVZCIRELDQSQT-OSPHWJPCSA-N 439.987 4.166 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 800649876 SIVOAEHYIJHPKX-FQEVSTJZSA-N 435.572 4.352 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 801641999 MEHYWYFKOKLQOM-SFHVURJKSA-N 447.601 4.444 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccco1)c1ccccc1OC 808779483 VTZNAGMWBUOCSK-QHCPKHFHSA-N 436.508 4.028 10 20 IICD COc1ccc(C[C@](C)(O)CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1OC 810256433 ZLNGWXZARBLIPP-CJAUYULYSA-N 430.564 4.478 10 20 IICD COCC1(CN[C@@H](C)c2cc(Br)cc(Br)c2O)CCOCC1 813876288 VWPRKMSSNKYIDQ-NSHDSACASA-N 437.172 4.011 10 20 IICD COCC1(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCOCC1 816789914 CPKKFVUEDIRMEY-UHFFFAOYSA-N 435.362 4.030 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 819519451 VRRGLGBRSJDNCJ-HNNXBMFYSA-N 434.483 4.121 10 20 IICD CC(C)[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 823408739 PVXNYVHBDWKBJN-OAQYLSRUSA-N 428.444 4.497 10 20 IICD COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 857758327 FTSTXUUBTCLPGN-SFHVURJKSA-N 438.572 4.103 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2F)C[C@@H](C)O1 916678020 BIWXYTXERMATRH-HZPDHXFCSA-N 440.519 4.110 10 20 IICD COc1ccccc1[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CCCCC1 918090326 XCQMZHNZGVVKRR-DEOSSOPVSA-N 436.600 4.322 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(CCc2cccs2)CC1 920202410 XOKGASSHQIVEHG-UHFFFAOYSA-N 447.564 4.489 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn4cccnc34)c2C)c1 920535654 RIBAIMLLCMROAW-UHFFFAOYSA-N 434.521 4.207 10 20 IICD Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1 920871001 VPRXBMODVAZCHT-DLBZAZTESA-N 446.389 4.272 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(CNC(C)=O)cc3)c2C)cc1 921179324 FSFRQOPZOMQLBF-UHFFFAOYSA-N 448.519 4.169 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3F)n2)cc1 1322377037 MGEXWMNIMIUFOA-UHFFFAOYSA-N 439.921 4.040 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4nnc(C(F)F)n4c3)cc2Cl)C1 1327056445 SKMQTIGEMAZUMZ-CYBMUJFWSA-N 433.890 4.487 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ncccc3C)n2C[C@H]2CCOC2)cc1 1519170478 QUWPVXSMKXFYMR-OAQYLSRUSA-N 434.588 4.168 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC(F)(F)C2)cc1 1792678547 NKJHOLDGKVNTGF-QQFNCUIESA-N 441.522 4.391 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2sccc2F)C3)cc1 1845398082 WXVJZOWNYGLQIE-UHFFFAOYSA-N 437.540 4.426 10 20 IICD COc1ccc(N2CCCN(Cn3nc4sc5ccccc5n4c3=S)CC2)cc1 108222698 SYDNNLJGJISBBB-UHFFFAOYSA-N 425.583 4.258 10 20 IICD COc1cc(CNCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])cc1OCC(F)(F)F 237271174 ZGULBYXSZTVGJO-UHFFFAOYSA-N 439.434 4.217 10 20 IICD NC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)s2)SC1=S 727175766 HBLIAQPKFVUJJW-QPEQYQDCSA-N 428.482 4.120 10 20 IICD CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 727248833 ZTJDENZUXUSDPZ-UHFFFAOYSA-N 447.494 4.004 10 20 IICD Cc1nnnn1-c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1F 727938941 SHAOICIZDAQTGI-UHFFFAOYSA-N 449.490 4.003 10 20 IICD COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1 728788544 OUSLGGSJBGTAON-UHFFFAOYSA-N 433.537 4.362 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1 728979418 HMIBQMMCRFCNAZ-KRWDZBQOSA-N 431.492 4.427 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 729174286 BZWZEHIHONZXEY-UHFFFAOYSA-N 427.442 4.478 10 20 IICD COc1ccc(C2(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)cc1 731759838 VNUGELDUILBXOJ-UHFFFAOYSA-N 431.483 4.254 10 20 IICD COc1ccc(OC(F)F)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 732983836 QTDAQNSMURZVGD-UVTDQMKNSA-N 431.482 4.143 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(OC(F)F)cc1 733836623 OJEPZLWTXDHSCG-SJFSSXKUSA-N 433.451 4.377 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1F 737821753 VJOUGRTZEOSBJV-QHCPKHFHSA-N 435.499 4.176 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cc4ccccc4o3)cc2F)C[C@@H](C)O1 740032772 STFCGJBARKOIBU-IAGOWNOFSA-N 425.504 4.227 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1-c1ccccc1F 742801350 PSIZHZYNQLFLJT-INIZCTEOSA-N 444.457 4.320 10 20 IICD CN(CCc1cccs1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 742848565 JLQKPJYMKQKHCM-SSZFMOIBSA-N 436.649 4.492 10 20 IICD CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 743329973 UHPUWUKRHYVECO-FQEVSTJZSA-N 441.597 4.083 10 20 IICD Cc1ccc(O[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 743674396 KFCGKPLBFBLKND-KRWDZBQOSA-N 433.499 4.332 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NC3CCN(C4CCCCC4)CC3)cc2F)C[C@@H](C)O1 747495714 MOUFPWRZHRYDFC-RTBURBONSA-N 446.611 4.036 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(C)cc4)n3)CC2)cc1F 753731427 NOEVINIRQLBNQM-UHFFFAOYSA-N 425.529 4.158 10 20 IICD COCC(=O)Nc1cccc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756378480 FPVWHMWAVZFBSD-LLVKDONJSA-N 427.726 4.244 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1cc(Br)ccc1O 756638588 UUBZWXUANSNSDZ-LLVKDONJSA-N 427.726 4.496 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757010696 MDJXPKJHEKSEAO-CTNGQTDRSA-N 432.609 4.368 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(N2CCOCC2)cc1 758981649 HCDZYYDGMWTFQA-GOSISDBHSA-N 449.595 4.298 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1 760745640 MYHRLGMRWLKEKT-HSZRJFAPSA-N 436.943 4.160 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3cc4ccccc4cc3OC(F)F)c2)CC1 761727920 GFSZVFYWSSPCGV-UHFFFAOYSA-N 439.462 4.395 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cccnc1OCC(F)(F)F 761752297 HFFRLQQFCQVMCC-UHFFFAOYSA-N 433.224 4.153 10 20 IICD CCOc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OCC 765250149 BDZFASDFCMVQQA-NQIIRXRSSA-N 425.573 4.037 10 20 IICD O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cccc(Br)c2O)CC1 768309109 YNUSZQCQDAXXGY-UHFFFAOYSA-N 443.263 4.132 10 20 IICD Cc1cc(Cl)c2c(c1)[C@@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCCO2 768509883 XBGUERKLLZEVLC-GCJKJVERSA-N 427.976 4.354 10 20 IICD C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc(N(C)C)cc1 773615354 WIQGKUVCJYBSNK-MGPUTAFESA-N 432.362 4.359 10 20 IICD Fc1cc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1N1CCOCC1 775025258 URFCXLAFDNUCCO-UHFFFAOYSA-N 438.465 4.477 10 20 IICD CCOc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCO2 776229048 DFYWJOWQPAHPFV-FPOVZHCZSA-N 426.513 4.005 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCO[C@H](C)C2)sc(C)c1-c1ccccc1 776407300 DEQKFIKZXXGVPT-RHSMWYFYSA-N 445.537 4.197 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)c1ccc(Br)s1 777829542 ZOFABNIAKSCJRF-JTQLQIEISA-N 446.750 4.175 10 20 IICD C[C@H](NCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1 782985742 UQQZFHIKRMGKMO-FQEVSTJZSA-N 435.568 4.030 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(Br)c1OC 785810440 ZDROMBMEIMMXIK-UHFFFAOYSA-N 433.346 4.337 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1c(F)ccc(Br)c1F 787051723 INUJNBWKXNUUSB-UHFFFAOYSA-N 427.314 4.211 10 20 IICD CC(C)O[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 794238888 OEDVIUOTZWTOLY-OAQYLSRUSA-N 436.474 4.325 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(Br)cc1C(C)=O 795752164 HMNRTDAAOHGPLI-UHFFFAOYSA-N 433.346 4.145 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncccc2Br)c(C)n1-c1cccc(F)c1 796096324 ZGLNJSCEKLVHAL-UHFFFAOYSA-N 431.261 4.430 10 20 IICD CCOC[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)C1 802368337 QMOUTDQIEOUFNR-NRFANRHFSA-N 437.588 4.252 10 20 IICD COC(=O)c1cc(NC(=O)NCCCSc2nccs2)c(C)cc1Br 806740531 SBVXFRVPOGWSGI-UHFFFAOYSA-N 444.376 4.305 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 807270321 QTGZUTGZXKYSOG-IBGZPJMESA-N 443.613 4.373 10 20 IICD COc1c(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)oc2ccccc12 809726088 IIBZSMCDKGGQED-UHFFFAOYSA-N 436.508 4.125 10 20 IICD O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 812564719 YHGCLPFCEGJPQZ-ZJSXRUAMSA-N 436.552 4.177 10 20 IICD C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)c1nc(N)nc(N(C)C)n1 814774167 SKGDRXADORWGCJ-WULZRQGASA-N 442.595 4.199 10 20 IICD Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn2ccnc12 818055350 CPLOTGOIIUIZHV-LFIBNONCSA-N 442.591 4.324 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C2CC2)cc1 914439719 OMNZLZGUIWUIQJ-XNTDXEJSSA-N 431.580 4.196 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 915222091 WUFJRUGWSFXDBU-UHFFFAOYSA-N 425.875 4.181 10 20 IICD C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918219015 BQRVVIJSGAYYFZ-HNNXBMFYSA-N 442.560 4.299 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc2oc3ccccc3c2c1 918308238 IBAPVLUVUPMKRW-UHFFFAOYSA-N 443.503 4.020 10 20 IICD COc1ccccc1/C=C(\C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 919859813 HJGOPGLOUUAIFD-PLRJNAJWSA-N 428.532 4.389 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nnc(C(F)F)s1 920229429 VIDGQASUBHWPQP-CLFYSBASSA-N 446.551 4.157 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3C[C@@H](C)c4c(C)ccc(O)c43)CC2)cc1 1116565269 NEYHRZPNTJYNMM-DYESRHJHSA-N 428.598 4.301 10 20 IICD Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)cc1F 1788427838 WILGUACHTXASED-UHFFFAOYSA-N 435.455 4.002 10 20 IICD CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 10732688 LBMSFSFCPGOISJ-UHFFFAOYSA-N 447.874 4.473 10 20 IICD CC(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 18601375 YPELDUWVQAJQFK-UHFFFAOYSA-N 443.297 4.427 10 20 IICD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 541095795 WGLGJKYTRMKQNS-UHFFFAOYSA-N 430.936 4.317 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)cc1 726563983 WFPFPYBLKXJWEZ-UHFFFAOYSA-N 446.320 4.477 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(Cc4ccc(F)cc4)n3)CC2)cc1 726915576 QNHZDDDYLHEYHL-UHFFFAOYSA-N 425.529 4.234 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3 727170735 XCPIKGGFLBGVGY-UHFFFAOYSA-N 425.554 4.353 10 20 IICD C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 728469454 QPYRIJGVOWOJJW-SFHVURJKSA-N 449.526 4.137 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(COCC4CC4)c3)cc2F)CC1 730380999 LYYZVZIOHKKCMK-UHFFFAOYSA-N 440.563 4.216 10 20 IICD COc1ccccc1[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1noc(C)n1 733800392 OSJVNRVDOIRTMZ-QFIPXVFZSA-N 437.500 4.164 10 20 IICD Cc1cccc([C@@H](C)CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 741198831 HWSJHSCXCHQRBN-HNNXBMFYSA-N 428.444 4.212 10 20 IICD CCOc1ccc(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c(O)c1 742388014 NINAJXNSTVMPTM-DEOSSOPVSA-N 425.550 4.382 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3cccnc23)NC(=O)OC(C)(C)C)cc1 742755083 VQBJXXUASMIAEB-JOCHJYFZSA-N 448.567 4.226 10 20 IICD O=C(CSc1nc2ccccc2o1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742797768 GEJQURHENVQRQQ-AWEZNQCLSA-N 433.480 4.307 10 20 IICD COc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 745906375 ZROZNGOMOARGRL-SFHVURJKSA-N 433.499 4.415 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 747542190 YHZJBVMIWDLTOC-VWLOTQADSA-N 429.311 4.085 10 20 IICD Cc1cc(C(=O)N2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1cccc(Br)c1 748511300 YVAGHERDABBHEI-FQEVSTJZSA-N 447.373 4.267 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(OCC(F)F)cc3)cc2F)C[C@@H](C)O1 748617176 HXNCWENHSFEDMO-HUUCEWRRSA-N 437.462 4.405 10 20 IICD Cc1cc(CC(=O)OCc2cc(=O)n3ccsc3n2)c(C)n1-c1ccc(Cl)cc1 749985940 SIEZZENBJACMKA-UHFFFAOYSA-N 427.913 4.103 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 750639556 PDLWYOIPMRMYPT-UHFFFAOYSA-N 444.535 4.040 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1CCN(c2nc3ccccc3o2)CC1 751299838 QFTLDXPYWNXAJC-UHFFFAOYSA-N 438.491 4.393 10 20 IICD CC1(C)CN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CCS1 751417053 NRJVDJKQHVSIQO-UHFFFAOYSA-N 426.607 4.336 10 20 IICD C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1noc(-c2ccc(Cl)cc2)n1 752902405 DKKIKJHDUBKPBK-AWEZNQCLSA-N 425.920 4.333 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(-c4ccncc4)cc3)CC2)cc1F 753940909 PUCWSZFWXIWQBF-GOSISDBHSA-N 434.515 4.489 10 20 IICD C[C@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)c(F)cc1O 756351418 KBGSEWHXGVYRFM-DJJJIMSYSA-N 441.316 4.157 10 20 IICD COc1ccccc1[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C 756432121 HGTZEWUGUSIXTI-KSSFIOAISA-N 431.489 4.226 10 20 IICD CC(C)CO[C@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 759302911 DORNQVOGYBBNIN-VUVCFOEZSA-N 438.640 4.003 10 20 IICD CC[C@H](C)n1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1 760381018 FSIBJRUVKQTRKJ-GVDBMIGSSA-N 428.552 4.414 10 20 IICD CN1C(=O)N(Cc2ccc(N3CCCC3)cc2)C(=O)[C@H]1c1cccc(Br)c1 761088222 BWCDLXITTOHESY-LJQANCHMSA-N 428.330 4.185 10 20 IICD O=C(NCCc1cccc(-c2ccccc2)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 761635960 BJFLKRMEXDOYNG-UHFFFAOYSA-N 447.554 4.496 10 20 IICD COc1ccc(N2CCN(CCC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F 766914941 ZPYCPEMETQNOIE-UHFFFAOYSA-N 425.426 4.004 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Br)cc2Br)c1 768398937 VAOKTPBYTZIEGW-SECBINFHSA-N 429.108 4.417 10 20 IICD CN(C)c1ccc(C2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 773239081 YONVDDVLVDNYNW-UHFFFAOYSA-N 438.641 4.395 10 20 IICD C[C@H](NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(N(C)C)cc1 773614302 TVWCDZKMVKKRJW-SFHVURJKSA-N 446.555 4.030 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)NCCc4ccccc4)cc3)cc2)CC1 775193521 QLUQYUKPEHTRHB-UHFFFAOYSA-N 428.580 4.023 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(-c3cnn(C)c3)ccc2F)cc1 782264534 JTIHFCWJTYMVFM-UHFFFAOYSA-N 434.437 4.497 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 782521027 YBUWJUVOPOYIOF-NRFANRHFSA-N 431.458 4.365 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 782670671 BIACBDIIUHXDIW-UHFFFAOYSA-N 446.617 4.226 10 20 IICD Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1C(=O)NC(C)C 784062048 WCCUZRIIPMOLGK-UHFFFAOYSA-N 436.556 4.020 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1 787871229 IOLFURKPIXZYLV-LJQANCHMSA-N 425.573 4.156 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC 788516189 BPOVBLWFZDJCDT-FUHWJXTLSA-N 434.330 4.324 10 20 IICD CCC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1 792066056 IATCAOSWNVGBII-VXKWHMMOSA-N 447.526 4.458 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(Br)c(C)cc3OC)CC2)cc1 795399154 YBHWRTCTJGAODE-UHFFFAOYSA-N 433.346 4.127 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 804007062 MSEXLECOLWBDPP-UHFFFAOYSA-N 444.531 4.049 10 20 IICD C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 809979655 AHCBJBNXWRGDAJ-GFCCVEGCSA-N 425.270 4.116 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1O 813786806 RCRWLRIYTQYNQA-MRXNPFEDSA-N 441.366 4.043 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cnn(-c4ccccc4)c3)SC2=S)cc1 814274710 YCQDWDIMHLICDG-UNOMPAQXSA-N 435.530 4.455 10 20 IICD O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NCc1cccnc1 814771280 NMEAIBXHZHLRSN-IUXPMGMMSA-N 425.560 4.316 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 914567012 QYNQAFYHMBLNHW-HSZRJFAPSA-N 428.960 4.418 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C2CC2)cc1 914840553 KLEGOMNPRBIIMC-UHFFFAOYSA-N 433.596 4.115 10 20 IICD CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1Cc1ccccc1 916159238 OWOHFHLGGWKRTB-DEOSSOPVSA-N 449.551 4.015 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cc4c(cc3Cl)OCCO4)cc2F)C[C@H](C)O1 916672985 ANAUVANFDLSWKF-KBPBESRZSA-N 449.910 4.186 10 20 IICD O=C(Nc1cccc(Cl)c1-n1cccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916688078 NZWOHHPEFOJIDS-KRWDZBQOSA-N 426.904 4.444 10 20 IICD COc1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(O)c1O 916856424 KIGPETPGWJIGDK-UHFFFAOYSA-N 445.884 4.104 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1ccc(Br)cc1 917238545 BQECYYBSNZWRED-WTKPLQERSA-N 442.313 4.029 10 20 IICD C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708561 JLKYKGPXQQBGDP-CYBMUJFWSA-N 427.303 4.053 10 20 IICD COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)o1 920473145 QRVVSVLXIOLJFZ-CPNJWEJPSA-N 442.562 4.029 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)n1Cc1ccco1 1337686946 LAUZQFZSLSVKGI-HDICACEKSA-N 439.531 4.429 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(O)cc2)cc1 1799697421 PAFDYPPRKZYWQQ-VILGAWFOSA-N 443.547 4.365 10 20 IICD CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1806332942 SYWYXECESRIMPQ-RCZVLFRGSA-N 430.552 4.219 10 20 IICD CNC(=O)c1ccc(CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C2CC2)cc1 115623294 SQZKZWJMVCTTJU-UHFFFAOYSA-N 431.536 4.267 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nnc2n(C)c(=O)c3ccccc3n12 216484869 WIAYKTARQLLFCP-SFHVURJKSA-N 439.519 4.050 10 20 IICD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOc2cc(N(C)C)ccc21 437019966 PIFKDFXVSYCABR-LBPRGKRZSA-N 439.737 4.361 10 20 IICD Cc1c(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)n(C)c2ccccc12 471224850 VWSGIINQHACNKD-UHFFFAOYSA-N 443.345 4.077 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3csc(-c4cnccn4)n3)c2C)c1 728383251 KTFTVARSKZJNTE-UHFFFAOYSA-N 432.505 4.356 10 20 IICD CCCn1ccc2cc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc21 729041736 ZSDSXFVRXWYGFS-FQEVSTJZSA-N 433.556 4.075 10 20 IICD C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 730481466 JSPSBIQCDWCMDO-QAPCUYQASA-N 448.394 4.190 10 20 IICD Brc1cccc(C2(NCc3ccc(N4CCOCC4)cc3)CCOCC2)c1 731852478 QSLXEWQJQDNNHE-UHFFFAOYSA-N 431.374 4.081 10 20 IICD COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c(OC)c(OC)c1 741727247 OZHAYJBNCASZBW-UHFFFAOYSA-N 438.480 4.159 10 20 IICD COc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(Cl)c1 742750384 MLZGYSXIERFAKS-HXUWFJFHSA-N 447.963 4.410 10 20 IICD CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 743046240 RJEKFCVZJFNTCZ-UHFFFAOYSA-N 427.507 4.340 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C2CC2)cc1 749183205 LFICKSCFTSEVKV-UHFFFAOYSA-N 443.551 4.274 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1N1CCSCC1 750320281 WTXGHHJHWVCSIR-OAQYLSRUSA-N 441.597 4.467 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 753292034 MMZUKLRHZRVIRL-IBGZPJMESA-N 443.416 4.029 10 20 IICD Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c(O[C@@H]2CCOC2)c1 758898407 DRRXYKPWSYDAEJ-JOCHJYFZSA-N 436.508 4.373 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 759200658 SOKLVAKLWLIHQX-UHFFFAOYSA-N 432.362 4.268 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cnc1Cl 760217282 UUVBFCWUOIMEFO-LICLKQGHSA-N 432.954 4.259 10 20 IICD Cc1cccc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)n1 761776920 UIUPYWCRNGWJHJ-PTNGSMBKSA-N 428.564 4.336 10 20 IICD CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2 764357033 QFYNESZKFOUXPC-UZLBHIALSA-N 428.602 4.322 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccccc3NC(C)=O)c2C)cc1 769476269 GTLIUZSSZYHMIS-UHFFFAOYSA-N 448.519 4.420 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCCc2ccccc21 769654372 SPWXXXITPSTNPO-IBGZPJMESA-N 442.562 4.404 10 20 IICD CN(C)c1ccc(CN(CC(=O)Nc2c(F)cc(F)cc2Br)C2CC2)cc1 771791279 LGUPPCWODPKOQJ-UHFFFAOYSA-N 438.316 4.396 10 20 IICD CCOc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nc2nc(C(F)(F)F)nn12 771791762 TWZBVRWDWZWVTO-UHFFFAOYSA-N 436.482 4.018 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3C(F)(F)F)SC2=S)cc1 771851064 POSNQXLJKRNTKH-VGOFMYFVSA-N 426.416 4.349 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 773765240 VQQHVVHGVPYDCL-YWZLYKJASA-N 434.378 4.433 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1 775209508 YJXWVCSNUUREHE-UHFFFAOYSA-N 446.510 4.040 10 20 IICD CC[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1O 775513243 OUQCCTFUBCQPBI-GFCCVEGCSA-N 435.295 4.054 10 20 IICD CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 776004784 YHURXLWKIIUDJB-DVECYGJZSA-N 434.536 4.354 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nn1-c1ccc(F)cc1 777376047 XCUHFXKSJYVTIS-HSZRJFAPSA-N 436.531 4.207 10 20 IICD CCn1cc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(Cl)ccc21 777850894 LOUUEJWZXIJXPY-UHFFFAOYSA-N 439.943 4.036 10 20 IICD CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 778631322 VUYJIFAZZDAXPQ-JLHGSKIFSA-N 431.964 4.313 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 780714581 ZPQZGDPTLJRQQV-FGZHOGPDSA-N 441.547 4.463 10 20 IICD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C 781036248 PXPYZCQREXHXGY-LSRZYVKLSA-N 433.593 4.028 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)c1 782895844 GBQNMYVNERFCIL-UHFFFAOYSA-N 440.540 4.026 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC 788516187 BPOVBLWFZDJCDT-AEFFLSMTSA-N 434.330 4.324 10 20 IICD Cc1nc(Cn2nnc(NC(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)c2C)no1 791340867 BJCJQADBSMSMRE-UHFFFAOYSA-N 445.487 4.060 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)CC2)cc1 800594371 UAQVHNRRAPAIRE-UHFFFAOYSA-N 432.524 4.413 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 802013611 GQBSSCXIHZNHKH-UHFFFAOYSA-N 448.361 4.495 10 20 IICD CSc1cccc(F)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 804969289 OTAJEQVYMRCDHH-GJZGRUSLSA-N 435.540 4.300 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccccc3F)C(C)C)cc2)CC1 805023554 JJGYMOSNCDWPDY-UHFFFAOYSA-N 425.548 4.115 10 20 IICD Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)C 807408789 UAXTYFGOQCHSCS-PTLVVNQVSA-N 425.573 4.083 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(c2ncnc3sccc23)C1 807837318 LLXFMANDCLBLRN-LLVKDONJSA-N 437.352 4.237 10 20 IICD CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1 808536718 DHZRKTJZNFYHBS-UHFFFAOYSA-N 436.599 4.052 10 20 IICD CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(C(F)(F)F)cc1O 810211579 FGWAPLPLBQLVHQ-HXUWFJFHSA-N 438.490 4.363 10 20 IICD CCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC(C)(C)C1 812066803 GWWMIRRSWCDRHU-SJLPKXTDSA-N 425.520 4.246 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1 812858915 FAYWYZMWSYIMPA-HOTGVXAUSA-N 442.453 4.216 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1O 814171748 RIYNOLMONRSSIU-SJCJKPOMSA-N 426.391 4.290 10 20 IICD O=C(OCc1nc(-c2ccco2)no1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 898096741 JQZRRRPPLXFCKC-UHFFFAOYSA-N 434.791 4.115 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c(C)n1-c1ccc(F)cc1 913153435 SDZDLQVSIPCYSZ-UHFFFAOYSA-N 437.490 4.361 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc(Br)c2)s1 914600904 ZTAJUUXUUZHPFD-WJDWOHSUSA-N 435.368 4.480 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3c(C)cc(OC)cc3C)n2)cc1 914851105 WGAGEEFSCUJLKG-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccccc3C(F)(F)F)n2)cc1 916089019 UTLKQDOFTDEYAV-UHFFFAOYSA-N 442.440 4.416 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(Br)ccc1F 916568302 IXLONAMYRRIGDJ-UHFFFAOYSA-N 438.366 4.141 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Oc2ccc(F)cc2)nc1 916681115 SQKDFMQJIOWTNJ-UHFFFAOYSA-N 440.450 4.310 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(COCc2ccco2)c1 916689123 WHLPPBJEDHPZOH-UHFFFAOYSA-N 439.487 4.294 10 20 IICD O=C1/C(=C\c2cc(-c3ccccc3)cs2)SC(=S)N1CCCN1CCOCC1 917644032 RDDQQMIPDZTRRY-XMHGGMMESA-N 430.620 4.339 10 20 IICD CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](C)c1cccc(OC)c1 918220684 JOBHZSVQUMGPGM-KRWDZBQOSA-N 429.536 4.088 10 20 IICD Cc1nc(-c2ccc(CCNC(=O)NCc3ccc(N4CCOCC4)cc3)s2)cs1 919789973 BSISEVISGLMMGA-UHFFFAOYSA-N 442.610 4.059 10 20 IICD C[C@@H](NC(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccc(N2CCOCC2)cc1 920871982 MKFNBQNJFMZVBS-LJQANCHMSA-N 432.524 4.380 10 20 IICD CCCOc1c(Cl)cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920880417 DILQRCQEOWRYBJ-INIZCTEOSA-N 432.948 4.465 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)ccc2N1 1318213077 QVCVNNNKTOKQDM-UHFFFAOYSA-N 437.905 4.288 10 20 IICD Cc1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1N1C(=O)CNC1=O 1321531079 XQEPDKAANHEUBP-UHFFFAOYSA-N 436.899 4.364 10 20 IICD CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1792062369 UEVPVCHJMQUPOT-QGMBQPNBSA-N 444.535 4.270 10 20 IICD CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S 207759879 VPXDPNBCNLRHQA-WQRHYEAKSA-N 430.507 4.404 10 20 IICD CC(=O)c1cccc(OCCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726567801 SSOKQJOPPATZME-UHFFFAOYSA-N 446.494 4.435 10 20 IICD O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 727591239 NCMFQFRXUGMLKX-SFHVURJKSA-N 426.904 4.444 10 20 IICD C[C@@H](NC(=O)N1CCC(c2ccc(F)c(F)c2)CC1)c1ccc(N2CCOCC2)cc1 729226964 SPEMUIJWPPTUAA-QGZVFWFLSA-N 429.511 4.452 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1Br 729469984 LRXWHTIAJWDMDX-LLVKDONJSA-N 440.225 4.407 10 20 IICD COC1CCN(C2(CNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CCCC2)CC1 730789447 BTMQAXCYDTXNRR-UHFFFAOYSA-N 427.564 4.387 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1 735583571 ZAKNPTPUSHUEIO-QFIPXVFZSA-N 438.572 4.163 10 20 IICD CCN1CCc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc21 737159024 OSUPPEQDQJGCSB-UHFFFAOYSA-N 434.584 4.093 10 20 IICD COc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 742391853 MQRIHQWNWGRWFG-XMMPIXPASA-N 442.556 4.183 10 20 IICD Cc1ccc(C2(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CCOCC2)cc1 742799259 WHLGWHZADOOPDU-HXUWFJFHSA-N 444.522 4.430 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742800828 ULDHLWDVLWCSDV-GOSISDBHSA-N 431.483 4.281 10 20 IICD Cc1ccn(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n1 742805089 GFRMJOXFJKQHMJ-SFHVURJKSA-N 426.467 4.181 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](CSc3ccccc3)C2)c1 743383402 PMWNTMXCZHSVPD-FQEVSTJZSA-N 440.609 4.041 10 20 IICD Cc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c(C)n1-c1cccc(Br)c1 743873871 BUELUDLVGRWSLC-UHFFFAOYSA-N 437.301 4.289 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1COc1ccccc1 743954586 BZYOEXMBCMUETO-UHFFFAOYSA-N 430.504 4.105 10 20 IICD CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2ccccc2Br)c1O 750033803 VXCCDLBHTHRGJE-UHFFFAOYSA-N 425.710 4.081 10 20 IICD COc1ccccc1N1CC[C@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 750331840 ZJOQSGZVTZRSTP-JOCHJYFZSA-N 436.600 4.353 10 20 IICD C[C@H](c1ccccc1)N(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1O 750617818 WTONAMZNHGGROX-JOCHJYFZSA-N 444.579 4.089 10 20 IICD CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751306782 BVOKXFKIZMRNQW-UHFFFAOYSA-N 427.508 4.263 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Cc3ccccc3Br)cs2)cc1 751931051 MQDANCQIZFNDQM-UHFFFAOYSA-N 445.338 4.047 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)cc(Cl)c1 755945984 WOCRNYLXXVHOEO-UHFFFAOYSA-N 434.867 4.028 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 756463590 UKMLHPCQQODUEF-ROUUACIJSA-N 429.561 4.424 10 20 IICD C[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1O 756732672 JGRRNTKYFKBLJI-AWEZNQCLSA-N 443.396 4.344 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC(c2ccncc2)CC1 758379365 GUBBGIHLOFIFCV-UHFFFAOYSA-N 448.489 4.026 10 20 IICD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 759194216 KFXTXJHIKDRHGV-OAHLLOKOSA-N 444.438 4.005 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 759877699 ZCZXMWBMHJNLLY-IGWBVUALSA-N 438.540 4.110 10 20 IICD COc1cc2c(cc1NCC(=O)Nc1cc(-n3cnnn3)ccc1Cl)oc1ccccc12 760448080 JCSSKMDBYGDWNG-UHFFFAOYSA-N 448.870 4.274 10 20 IICD CCCc1c(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1-c1cc(C)ccn1 760968148 BUUZESYCYGOFSY-UHFFFAOYSA-N 448.571 4.281 10 20 IICD COc1ccc(N2CCC(N3C(=O)CN(Cc4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 761220046 ABZKZIGIAIGQAR-UHFFFAOYSA-N 447.457 4.147 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1 762439300 GJUXNZAQWLKKOQ-GASCZTMLSA-N 447.482 4.081 10 20 IICD O=C(CC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)NC1CCCC1 769110426 FAGSLPCKFDLEDY-UHFFFAOYSA-N 428.577 4.246 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1F 770563439 BYWGUJDKBLORQX-UHFFFAOYSA-N 427.564 4.199 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccc(COc2ccc(Br)cc2)o1 770631870 WMRRHOJPDLXACQ-UHFFFAOYSA-N 432.270 4.005 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 771356342 CGABRIBGMYDLSD-UHFFFAOYSA-N 448.567 4.283 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 773846297 JJRVBHDOLVXJHK-LJQANCHMSA-N 431.536 4.456 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(N(C)C)cc1 773847206 QYCFTPYLHCAUQC-KRWDZBQOSA-N 445.523 4.213 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1O 779048706 ZQSLWZDGPOFUHM-ZIAGYGMSSA-N 444.333 4.427 10 20 IICD CCn1ncc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc21 783485690 KGYVPCLJXWVPFS-KRWDZBQOSA-N 427.508 4.371 10 20 IICD O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)N(Cc1ccco1)Cc1ccccc1O 785922201 IPKLMTLJEHINKR-NRFANRHFSA-N 425.529 4.021 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](C)c1cc(C)sc1C 787849829 UEZPJXYCQJUYIE-LBPRGKRZSA-N 439.375 4.059 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 788726227 PQQGTETZFVCOJX-UHFFFAOYSA-N 436.474 4.358 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 792039256 IPVMWVYNWFRTLS-FYYLOGMGSA-N 425.548 4.170 10 20 IICD OCC1CCN(c2ccc(CN=c3cc[nH]c4c(Br)ccc(F)c34)cc2)CC1 799930750 ZNSCEIWSHSODCE-UHFFFAOYSA-N 444.348 4.379 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2Cl)C1 800571394 JBLYWWDYPYCQIF-SFHVURJKSA-N 442.003 4.467 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](CN(C)CC4CC4)C3)cc2Cl)C1 800718742 CYNNVEVILLLKBL-NQIIRXRSSA-N 433.040 4.450 10 20 IICD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 803686814 QUCPUTFASVWQEJ-AWEZNQCLSA-N 434.367 4.212 10 20 IICD C[C@@H]1C(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C(=O)N1Cc1ccccc1 804148489 JTJUUFOYWRNOEC-MRXNPFEDSA-N 429.467 4.110 10 20 IICD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1cc(Cl)cc(Cl)c1O 807839529 OJYZFTKTNWYLSP-UHFFFAOYSA-N 425.356 4.038 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1 811517065 HIDHPFKBPCXRDZ-OAQYLSRUSA-N 447.595 4.131 10 20 IICD CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 818097963 HSWMSZFPDYHUTA-UHFFFAOYSA-N 443.507 4.168 10 20 IICD CC(C)OCCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N(C)C 846557000 DTOFMMSEPIXYDT-UHFFFAOYSA-N 440.407 4.308 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1 916702045 VAVQASNDFFKTDX-UHFFFAOYSA-N 432.450 4.454 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(F)cc3Br)cc2F)C[C@@H](C)O1 917715193 ZHVGPQSASANEAU-BETUJISGSA-N 439.300 4.271 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(-c4ccccc4F)o3)cc2)C1 917832885 JEDLIAMXMIQYBC-IBGZPJMESA-N 449.526 4.036 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3cc(F)ccc3Br)CC2)cc1 918018641 YQKUDBGYCFUUCI-UHFFFAOYSA-N 436.325 4.019 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 918167798 ISPYWFIQNWFKSW-HUUCEWRRSA-N 439.453 4.458 10 20 IICD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)n1 918309324 WXKHFXBWNPXBDG-UHFFFAOYSA-N 445.567 4.077 10 20 IICD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918432723 ZMIFUBPNXJQKFN-OAHLLOKOSA-N 433.434 4.041 10 20 IICD CCCCCC[C@@H](C)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919783778 MPVIWEAEMIFCEV-LJQANCHMSA-N 442.583 4.100 10 20 IICD Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c(C)n1-c1ccccn1 920296406 MPHZYEHHOMPTDZ-HXUWFJFHSA-N 440.341 4.465 10 20 IICD C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(N2CCOCC2)cc1 920882683 WKDCSLUOFUIOTK-GOSISDBHSA-N 447.510 4.406 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 920921348 CBOHHELJYIETHV-GCJKJVERSA-N 443.975 4.491 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1323880800 MHJWQANWEFOFED-HSZRJFAPSA-N 436.899 4.054 10 20 IICD COc1ccc(NC(=O)NCCCN(C)c2ccccc2F)cc1OCC(F)(F)F 195546789 PIPCZDJWWODISH-UHFFFAOYSA-N 429.414 4.423 10 20 IICD COC(=O)c1sc2nc(C)nc(NCc3ccc(N4CCSCC4)cc3)c2c1C 301093523 NSUYGSBCHUCPBO-UHFFFAOYSA-N 428.583 4.260 10 20 IICD Cc1ccc(I)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 481955584 HLZZUGRNXOTKHY-UHFFFAOYSA-N 437.281 4.097 10 20 IICD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1Cl 726600668 HWEJNPXBJROBKS-UHFFFAOYSA-N 434.867 4.028 10 20 IICD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 727151194 ZVWHILQTKQKJGR-QHCPKHFHSA-N 437.584 4.429 10 20 IICD O=C(Nc1cccc(SC(F)F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 727611914 AFSKVBDSWWNSGM-UHFFFAOYSA-N 432.448 4.467 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 730119138 HLCGVSDKDNYBOY-SFHVURJKSA-N 432.609 4.368 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)cc2)CC1 731049796 PCIGIFHYAOGVMM-OAQYLSRUSA-N 435.490 4.475 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 731108911 UMMIYBAIGGLOAJ-UHFFFAOYSA-N 426.536 4.220 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)CC1 731131969 PUSSGNPSIVRQQD-UHFFFAOYSA-N 437.437 4.336 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 731280017 DNHKUGVGBNNGRF-UHFFFAOYSA-N 430.552 4.472 10 20 IICD COc1ccc(O)c(CNC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1 734069755 OGHNLIYPMIMXNK-LBPRGKRZSA-N 425.348 4.143 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 734404422 MAQXJRSVVASQHZ-UHFFFAOYSA-N 449.374 4.184 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1nn(-c2ccc(F)cc2)cc1Br 735465680 YOUKSAKCARRGJQ-UHFFFAOYSA-N 443.320 4.304 10 20 IICD CCOc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c(O)c1 742383077 SMIPLZQAEIDFJT-QHCPKHFHSA-N 429.513 4.213 10 20 IICD CN(C)c1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)cc1F 742391732 LXMDDWXKBNYTBH-QHCPKHFHSA-N 448.510 4.453 10 20 IICD COc1ccc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 742798974 FBRVDBKGUNTIQY-HMPQKADESA-N 432.467 4.104 10 20 IICD CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905487 OEFFUIGVKAVQGO-KRWDZBQOSA-N 447.482 4.217 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)CSc3ncc(-c4ccccc4)n3C)cc2)C[C@@H](C)O1 747365552 SPPORMRZJVATQE-QZTJIDSGSA-N 436.581 4.432 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)cc1 755058042 DMGRNEHTDVHKQO-LOSJGSFVSA-N 443.680 4.011 10 20 IICD Cn1nc(Br)cc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 758787697 MHDSFVXDPDKKFS-UHFFFAOYSA-N 442.273 4.394 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 759614178 WZTPNFBKIJSORS-NVXWUHKLSA-N 435.362 4.241 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccccn3)c3ccccc3OC)CC2)cc1 760832099 PIQNFCRPNIQKMD-VWLOTQADSA-N 446.551 4.156 10 20 IICD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1cccc(Br)c1O 765730362 AFWGCAJLAGCMKN-SECBINFHSA-N 447.098 4.140 10 20 IICD Cc1cc(C(=O)[C@H](C)N2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1 767755319 IUACFPQVBDULNJ-JXFKEZNVSA-N 443.498 4.232 10 20 IICD C[C@@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 773612968 OFMIQJQCPDPMSC-GOSISDBHSA-N 432.609 4.492 10 20 IICD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)/C=C/c1ccc(O)c(O)c1 774779735 WTRAWGCXWHBADD-PDFOZTTASA-N 434.330 4.028 10 20 IICD C[C@H]1CCN(C(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2S1 775258594 GCHCOKRZTLYXOV-RBUKOAKNSA-N 425.598 4.091 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 775628687 SPKROODRYGSMKS-RTBURBONSA-N 425.520 4.292 10 20 IICD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(C)c1O 775701008 AGTIRXDTPGSFLX-SFHVURJKSA-N 433.346 4.383 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@@H](O)c1c(F)cccc1F 776208995 GKNXPGXZFGMUTP-CYBMUJFWSA-N 437.078 4.019 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)N1CCc2ccccc2C1 777822216 DVCZCZNSUFYAIL-FQEVSTJZSA-N 443.547 4.250 10 20 IICD COCCN1C(=O)CCc2cc(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)ccc21 779083554 MIRGEHHTXSMWCL-QGZVFWFLSA-N 443.975 4.275 10 20 IICD Cc1ccn(-c2ccccc2NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1 782896660 SHPGNYQPLAHPPB-UHFFFAOYSA-N 432.524 4.186 10 20 IICD CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 784512878 WMIGNJSQTCTQLT-QHCPKHFHSA-N 445.475 4.281 10 20 IICD Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(-n2cc(Cl)cn2)n1 786938622 CNFWTGUSFJWBEY-MRXNPFEDSA-N 429.927 4.056 10 20 IICD COCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)ccc21 787946648 RBIJVKYBJUPNFD-UHFFFAOYSA-N 433.508 4.238 10 20 IICD Cc1nc(C(C)C)oc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 796197893 CDMYMRZCZISUEN-CQSZACIVSA-N 446.459 4.066 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4scnc4c3)cc2Cl)C1 800636968 ROLOUQWALCSFEK-CQSZACIVSA-N 442.972 4.441 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 804683104 VNZZYZQBIUVYHC-QHCPKHFHSA-N 425.548 4.286 10 20 IICD COC(=O)CCCOc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 805120720 XKVXCVPVCJWJMD-UHFFFAOYSA-N 441.311 4.030 10 20 IICD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 806912881 OAZPIZPITMTIGD-UHFFFAOYSA-N 432.568 4.007 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 807679947 KQOWRALDWMEFJL-XMMPIXPASA-N 431.536 4.130 10 20 IICD CNC(=O)c1cc(Oc2ccc(NCc3cccc(Br)c3O)cc2F)ccn1 810172339 KKRMRVSJSPUHPZ-UHFFFAOYSA-N 446.276 4.453 10 20 IICD C[C@H]1CCCN(c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)ccn2)C1 812457129 DRQVOTQFAKZAOU-RDPSFJRHSA-N 436.600 4.205 10 20 IICD Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1ccc(OC(F)(F)F)cc1 812604691 SEAJMUPBNYIYRS-UHFFFAOYSA-N 447.413 4.141 10 20 IICD CN(Cc1ccccc1O)C(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 815796798 MLSVLPRFJDAJAX-UHFFFAOYSA-N 436.321 4.292 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)c1 834709959 PHTGEHNOLNLBFO-FUDBJYBQSA-N 441.530 4.348 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 915698678 BSLQKFWKRHTFQB-KDURUIRLSA-N 425.577 4.205 10 20 IICD CCN(CC)Cc1ccccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 916216405 HPZMXEDRHJTXTO-HSZRJFAPSA-N 425.573 4.125 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(s3)-c3ccccc3CC4)cc2)C1 917832096 IZGXHWCZBBUIAT-HXUWFJFHSA-N 445.588 4.145 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3ccc(N4CCCCC4)cc3)CC2)cc1 918075766 KANQTZBLYIIARY-UHFFFAOYSA-N 436.600 4.150 10 20 IICD CCC(CC)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 918116807 AOKNDEUEXXDKEF-ISKFKSNPSA-N 436.600 4.365 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCCCOc3ccccc3)cc2F)C[C@H](C)O1 1115869398 GNRNVEYDWRMYIR-OALUTQOASA-N 429.536 4.098 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 1320274349 RSMDPRAODGFGHL-KRWDZBQOSA-N 443.496 4.178 10 20 IICD CO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1822454876 PSYGRFXWGPKRTM-PGRDOPGGSA-N 449.555 4.158 10 20 IICD Cc1nc(COc2cccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)cs1 16237024 VBKSVSBWKPTZHA-UHFFFAOYSA-N 437.565 4.139 10 20 IICD Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1F 24536375 FEPLLRQOYOMWKS-UHFFFAOYSA-N 436.464 4.219 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccccc2C)n1CC 302921833 PTRAOHFPNKTJGX-UHFFFAOYSA-N 437.613 4.480 10 20 IICD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2c(C)c3ccccc3n2C)c1 471232251 UTAZYFQXCQSKDQ-UHFFFAOYSA-N 433.581 4.401 10 20 IICD CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 727483508 JXEJJLHOLRLDAU-QHCPKHFHSA-N 430.589 4.361 10 20 IICD Cc1ccsc1-c1nnc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 727505044 JOMQTWJLPONETN-UHFFFAOYSA-N 436.493 4.310 10 20 IICD CN(C)c1ccc(CN(Cn2nc(-c3ccco3)n(C)c2=S)CC(F)(F)F)cc1 728904999 ZUZMZEVDSVNUKU-UHFFFAOYSA-N 425.480 4.299 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 728938152 NTIDNXQHNWTLTA-GFCCVEGCSA-N 438.509 4.292 10 20 IICD CC(C)(C)COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 729096160 NQYZPBYVEXFTJJ-MDWZMJQESA-N 428.373 4.240 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccnc(O[C@@H](C)CC(C)C)c3)CC2)cc1 732249025 NEEDKAQDIHJZLA-FQEVSTJZSA-N 440.588 4.326 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@H]1CCc2ccccc21 732446847 FTZDTEKTQLHHKD-QGZVFWFLSA-N 433.474 4.071 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)nc(N4CCCC4)c3)cc2F)C[C@@H](C)O1 732934733 SMQSDAOJPURKGX-IYBDPMFKSA-N 446.954 4.018 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1ccc2c(c1)CCO2 733731479 MVURXBNLCYTNMK-UHFFFAOYSA-N 443.369 4.370 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3oc4ccccc4c3CN(C)C)cc2F)C[C@H](C)O1 733889467 SEWFYCZNJRCNHD-IRXDYDNUSA-N 439.531 4.177 10 20 IICD CCOC(=O)c1c(NC(=O)CN(CC)C[C@H]2CCOC2)sc(C)c1-c1ccccc1 734152884 YIRZZAJICSHJJY-QGZVFWFLSA-N 430.570 4.197 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(OCc2ccccc2)c1 734704274 YSYRWHHHNKYDPL-UHFFFAOYSA-N 431.536 4.203 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCCn3ccccc3=O)c2C)c1 735144546 WPKDJHBWPLKGJU-UHFFFAOYSA-N 438.549 4.184 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc4c(c3)OCO4)C1=O)O[C@H](C)C2 735329330 KACCWMVMSCZYAV-YTTILGKYSA-N 427.503 4.153 10 20 IICD O=C(NCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2ccccc2c1 735927396 RHYGWGYEADNRII-UHFFFAOYSA-N 428.488 4.487 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)c1 741428727 ZCZGJKLSLXGVRG-KRWDZBQOSA-N 440.540 4.484 10 20 IICD Cc1cc(C(=O)OCC(=O)c2ccc(N3CCOC3=O)cc2)c(C)n1-c1ccc(F)cc1 741830941 ZEGLVWOCWBEOHJ-UHFFFAOYSA-N 436.439 4.230 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(COCCOC)c1 743107468 HRBWYDQILSYXEG-UHFFFAOYSA-N 437.334 4.372 10 20 IICD COc1ccc(OCCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743561631 MFQBYPLWPLVFMW-KRWDZBQOSA-N 449.498 4.034 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccn(-c2ccc(OC)cc2)n1 743807151 APQJUOMNAOQONU-UHFFFAOYSA-N 430.302 4.011 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 745745252 HMMVHDXKAVNJJZ-UHFFFAOYSA-N 435.568 4.113 10 20 IICD C[C@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C(=O)N1c1ccccc1 745881668 KLOMQSFBCRRMIX-CYFREDJKSA-N 446.551 4.251 10 20 IICD CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2NC1=O 745932769 SFEBCTWMBMDARW-OPAMFIHVSA-N 436.556 4.297 10 20 IICD COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746759129 PIMVOFFCYVMHQH-JOCHJYFZSA-N 443.563 4.382 10 20 IICD COc1cc(Br)cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1O 747039652 CIXNUXUJUIPVNP-FQEVSTJZSA-N 440.297 4.325 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2cc(Br)ccc2C)cc1 749191871 LNCZVDKDSUSFIM-UHFFFAOYSA-N 447.377 4.042 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCOc2c1ccc(Cl)c2Cl 753107629 NSWXBRXBWYGURT-SFHVURJKSA-N 436.339 4.153 10 20 IICD C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)c1ccc2c(c1)OCO2 756654680 XFMQFSSZQXACDX-SFHVURJKSA-N 445.519 4.323 10 20 IICD C[C@H](c1ccccc1)N1CC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O 761635418 KXWFKFPKZVFBTR-APWZRJJASA-N 429.467 4.282 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1 764533747 KOWBCZYHSVRGSH-UHFFFAOYSA-N 425.329 4.382 10 20 IICD COc1cc(OC)c(CCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c(OC)c1 765872616 XRDQVYFRXRTOHL-MRXNPFEDSA-N 434.964 4.096 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765981544 WOBVXPQYBXVBDH-QHCPKHFHSA-N 440.634 4.365 10 20 IICD C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 766512155 JHNXXSJMGBRLJX-IBGZPJMESA-N 432.628 4.093 10 20 IICD CSc1cccc(N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 769750108 ZSPJINXKURQNOK-UHFFFAOYSA-N 434.564 4.253 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc(Cc2ccccc2F)s1 773064770 YDWOQGJNOPYVJN-UHFFFAOYSA-N 439.556 4.012 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O 773744844 FGBOFGWTSOFPSA-LLVKDONJSA-N 446.912 4.132 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCc2ccccc21)c1ccc(N(C)C)cc1 773845335 HJOTXBTZKLOIBF-LJQANCHMSA-N 442.563 4.131 10 20 IICD COc1ccc(O)c([C@H](C)NCc2csc(N(C(C)=O)c3ccccc3OC)n2)c1 775376711 YIESSKRQNDQIPD-AWEZNQCLSA-N 427.526 4.401 10 20 IICD CS(=O)(=O)C[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 775547984 GXQKAKPQKVUDML-JOCHJYFZSA-N 436.537 4.416 10 20 IICD COc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1Br 776025407 UURNIYPJBNQIER-UHFFFAOYSA-N 434.334 4.170 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1 777669685 KIIUEFDPYKTNDA-UHFFFAOYSA-N 439.465 4.376 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2)cc1 779019989 ORIQFLBDRTXHMG-BVAGGSTKSA-N 429.564 4.276 10 20 IICD C[C@H](Cc1ccccc1)NC(=S)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 786063922 WJDAGVIBTPLELU-MRXNPFEDSA-N 437.531 4.137 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccc(Cl)cc3Cl)cc2)CC1 786258229 AQSOJNAKISLENW-INIZCTEOSA-N 448.394 4.157 10 20 IICD COC(=O)c1sc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1Cl 788547262 JVCJECPLDITWQN-UHFFFAOYSA-N 428.944 4.421 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 792039260 IPVMWVYNWFRTLS-GMAHTHKFSA-N 425.548 4.170 10 20 IICD COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(Br)c1 794593039 PRSRUDWPDSYQOO-UHFFFAOYSA-N 427.103 4.271 10 20 IICD CC[C@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1cccs1 802700972 CFHSRFUWSLVCLA-INIZCTEOSA-N 429.565 4.376 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C 806846392 MUNWKXQHEDUSSA-UHFFFAOYSA-N 436.600 4.429 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)[C@H](C)c1ccccc1 806870277 OPZIOSXROKKBJQ-VQTJNVASSA-N 433.552 4.183 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(N(C)C)cc1 807674106 GILVCMRBSSGQGF-HNNXBMFYSA-N 433.474 4.140 10 20 IICD Cc1cc(-c2csc(NC(=O)C[C@H]3CCCC(=O)N3)n2)c(C)n1-c1ccc(F)cc1 807976009 JVXVIIIBTOWXOV-MRXNPFEDSA-N 426.517 4.354 10 20 IICD CCN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCOC(C)(C)C1 812006857 YXQCDAFJWZCXCT-SFHVURJKSA-N 443.510 4.031 10 20 IICD CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)/C=C\c3ccc(O)c(O)c3)n2)CC1 813778863 HDCISIMKHUGREW-ALCCZGGFSA-N 445.541 4.321 10 20 IICD Cc1cccc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(Cl)nc12 816890993 FEJBOLGQTYRRHB-UHFFFAOYSA-N 427.907 4.227 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 857507950 KHFBHXOHFKSNGM-INIZCTEOSA-N 429.294 4.473 10 20 IICD Cc1cc(C(=O)O[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)c(C)n1-c1ccccn1 914903969 WNJGNAPWKGGAKB-JOCHJYFZSA-N 437.565 4.317 10 20 IICD COc1ccccc1[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nccn1C 915226442 NLMGLFGSLBJZGM-HSZRJFAPSA-N 435.528 4.206 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 915307996 HXWNDDLNZYFLRS-UHFFFAOYSA-N 448.489 4.464 10 20 IICD CCCOc1ccc([C@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 918010074 IPYXEUQWVWPARY-IBGZPJMESA-N 441.572 4.476 10 20 IICD O=C(NCc1ccc(OCc2ccccn2)cc1)NCc1ccc(N2CCSCC2)cc1 918213766 RJCKPMWVVYBKIL-UHFFFAOYSA-N 448.592 4.213 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccc(N2CCOCC2)cc1 1318838497 RDUHALKVNANWMT-CRAIPNDOSA-N 435.977 4.082 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cncs3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1787534100 CZWQZXVVEATJPV-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3C[C@@H]3F)[nH]n2)cc1 1821157498 KFKBDLFSZJCWSA-JAXLGGSGSA-N 449.530 4.481 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F 27398906 NAZSCTNXXKKEKN-UHFFFAOYSA-N 435.499 4.181 10 20 IICD Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCc3ccc(N(C)C)cc3)nc2n1 29981020 GEWBHPIEENVTTM-UHFFFAOYSA-N 446.580 4.029 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(C)C)n3C)c2C)cc1 110232823 AMBSTDQMZGHGRA-UHFFFAOYSA-N 426.542 4.108 10 20 IICD CC(=O)N1CCN(Cc2nc(-c3cc(C)n(-c4ccc(C)c(F)c4)c3C)cs2)CC1 303084293 APJXPZPWJXVBPJ-UHFFFAOYSA-N 426.561 4.329 10 20 IICD Cc1c(CNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)n(C)c2ccccc12 471234607 IVZSNUSPMBGFFA-UHFFFAOYSA-N 432.568 4.067 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccccc2COCc2ccccc2)n(C)c2ccccc12 472794386 YWVIZTPGKYITCZ-UHFFFAOYSA-N 441.531 4.458 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cn(-c2ccc(F)cc2Cl)nn1 535904495 HFBUJZVWKKOCSY-YRNVUSSQSA-N 428.254 4.367 10 20 IICD O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1cn(Cc2cccnc2)nn1 544047239 ZSSHKAPQUQFWMQ-WQRHYEAKSA-N 438.516 4.104 10 20 IICD C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccc(N2CCOCC2)cc1 726245580 KPNIJIKIYWPISF-LJQANCHMSA-N 432.524 4.271 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3cc(-c4ccccc4)on3)cc2F)C[C@@H](C)O1 726848420 AAKYRPAJCHPXCG-IAGOWNOFSA-N 438.503 4.094 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC(F)F)SC2=S)cn1 726986764 XHTSHWXAVBLDLT-NTUHNPAUSA-N 439.421 4.006 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(=O)n(Cc4ccccc4)c3)ccc21 728466817 SHMDLSVTJRYQBL-UHFFFAOYSA-N 429.520 4.367 10 20 IICD COc1cccc(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1O 732284116 IPWXFVRECWSNNT-UHFFFAOYSA-N 437.443 4.014 10 20 IICD CC(C)N1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)CC1 733903023 GBRNAKPTCYVVKR-UHFFFAOYSA-N 438.597 4.273 10 20 IICD CC(C)n1ccc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 735131926 PFTHZIRRRYTBDP-LFIBNONCSA-N 435.596 4.250 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2SCC(F)(F)F)c1 737183213 KEBWILXATWSKER-LBPRGKRZSA-N 442.459 4.180 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(N2CCCCCC2)c1 741071056 PHIUCDWVRHHJIM-UHFFFAOYSA-N 440.563 4.489 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OC2CCOCC2)cc1 741924208 DZQIAMYUOFPAOK-UHFFFAOYSA-N 446.494 4.245 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 742111785 AKHUZSZGNRWNPV-UYAOXDASSA-N 426.561 4.302 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC(F)F)cc1 745307715 NGKHJBNUHMDETP-UHFFFAOYSA-N 429.261 4.488 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2cccc(F)c2)C1 745903462 GYTPUMHQFYIIPY-GHTZIAJQSA-N 449.473 4.179 10 20 IICD CC(=O)c1cc(CN(C)Cc2c(Cl)cccc2Cl)c(O)c(CN2CCOCC2)c1 746029547 SYFWMRQWBMNYMC-UHFFFAOYSA-N 437.367 4.366 10 20 IICD Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)N2CCCC2)cc1 747305422 UIYCEIGNIJSVBG-XMMPIXPASA-N 438.641 4.185 10 20 IICD C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](OC1CCOCC1)c1ccccc1 747404612 VBJUEDCESBBGPB-SBUREZEXSA-N 429.536 4.016 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3C3CC3)SC2=S)c1 750816983 GYXQOGBAQHGCOK-XDHOZWIPSA-N 444.603 4.220 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 750874064 FLXTXRUQAUPVCP-QHCPKHFHSA-N 447.535 4.419 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)ccc1C(=O)OC 752713772 UUFQRRJPHQHUML-UHFFFAOYSA-N 437.290 4.004 10 20 IICD COCCc1noc(-c2cc(Cl)ccc2NC(=O)NCc2ccc(N(C)C)cc2C)n1 753559470 YQVVVTNLDMXHTC-UHFFFAOYSA-N 443.935 4.275 10 20 IICD CN1CCC(N2C(=O)/C(=C/c3ccc(Br)c(Cl)c3)SC2=S)CC1 754830726 CTZPQHIRMYQROM-ZROIWOOFSA-N 431.808 4.398 10 20 IICD C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1cc(Br)c(F)cc1O 756602774 FKWCJTCESHWQQG-LBPRGKRZSA-N 427.289 4.120 10 20 IICD C[C@@H](N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756611565 TZRVOWWZNJCHML-JLCFBVMHSA-N 444.484 4.283 10 20 IICD CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C 757012196 WEJZWTFLDUATCF-PZJWPPBQSA-N 430.593 4.122 10 20 IICD COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)cc1 760018939 RWOJNSFNBLFKRG-FQEVSTJZSA-N 430.614 4.338 10 20 IICD Cc1ccnc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)c1 761597951 OMUQMEAPXOTMLV-RVDMUPIBSA-N 428.564 4.336 10 20 IICD O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 764535547 RVIRRXGXPUHDNN-PKOBYXMFSA-N 447.938 4.154 10 20 IICD C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 765136314 LHZUZSIVRJKMCX-JKSUJKDBSA-N 449.364 4.481 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 765899299 VTRPTRVTOGLVRZ-KSSFIOAISA-N 434.418 4.202 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3cccc(C)c3)c3ccccn3)CC2)cc1 766253407 WOWLMUVZLGSVPO-RUZDIDTESA-N 430.552 4.456 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn(C4CCOCC4)c3C)c2C)cc1 766992358 SJTRBUUVOQFYFQ-UHFFFAOYSA-N 435.524 4.299 10 20 IICD CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ncccc12 768016798 PRYNYXDZXTWGBU-UHFFFAOYSA-N 446.551 4.221 10 20 IICD O=C(Cc1coc(-c2cccs2)n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768914656 FVADMZGYTXCDGJ-MRXNPFEDSA-N 431.945 4.085 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1CCCc1ccccc1 769033840 NNVDVNGXRZVARS-JOCHJYFZSA-N 439.575 4.484 10 20 IICD CCOc1cccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c1O 769305730 LYZCPCJSPJEHGL-UHFFFAOYSA-N 433.346 4.404 10 20 IICD Cc1nnc(SCc2c(C(=O)NCCc3ccc(O)c(O)c3)oc3ccccc23)s1 770628368 ADMOYBYSNXVMPF-UHFFFAOYSA-N 441.534 4.269 10 20 IICD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 775149046 HAFSUUKFFLXKKX-UHFFFAOYSA-N 428.919 4.273 10 20 IICD Cn1nc(Br)cc1/C=C1/SC(=S)N(CCSc2ccccc2)C1=O 778248960 SDQGVSPFIIIDQG-UKTHLTGXSA-N 440.413 4.176 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1 780683842 WPIVXBKMCYZJMW-LJQANCHMSA-N 430.593 4.216 10 20 IICD CCOc1cc(/C=C/C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1O 780952891 BHPNRNCVUVYSEA-USAXFFIDSA-N 432.467 4.191 10 20 IICD COc1cc(/C=C(/C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)ccc1O 781077945 BRZAXEAPCDUEGN-JJIBRWJFSA-N 444.531 4.094 10 20 IICD CCn1c(=O)c2ccccc2n2c(CN(Cc3ccccc3)c3ccc(OC)cc3)nnc12 781309886 RWJNQVQQPGIVSU-UHFFFAOYSA-N 439.519 4.280 10 20 IICD COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 794018545 XESDMWYVHOGKFT-UHFFFAOYSA-N 446.550 4.161 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cc1 796506205 VNIGYPHVJSOZDC-OAQYLSRUSA-N 446.613 4.209 10 20 IICD O=C(NCCCSc1nccs1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 806961874 XOWAJMAIIVYRAV-SFHVURJKSA-N 445.532 4.345 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ncc(C2CCCCC2)s1 807512764 IBKQYFXHOZWJBX-UHFFFAOYSA-N 428.341 4.458 10 20 IICD Cc1cccn(Cc2c(F)cccc2NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1=O 807747224 WUJUKGDOJPCWLX-UHFFFAOYSA-N 430.483 4.399 10 20 IICD C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1 812435066 ZKYBLRVYTXZBJS-LAUBAEHRSA-N 440.519 4.468 10 20 IICD C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2)C[C@@H](C)O1 914867175 QKJMLBSODRVJQS-BGYRXZFFSA-N 448.567 4.197 10 20 IICD CC(C)NC(=O)c1ccc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c([N+](=O)[O-])c1 917086682 MFDUPMOKYCAGEI-HZPDHXFCSA-N 444.507 4.098 10 20 IICD O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(OC2CCCC2)cc1 917911140 BNXVIIHEWFPWKU-UHFFFAOYSA-N 432.611 4.040 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCc2nc(O)c3c(C)c(C)sc3n2)cc1 920339205 QXJBJUGPHMZUEG-UHFFFAOYSA-N 426.586 4.451 10 20 IICD CCCCn1c(-c2ccc(N3CCCC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 1115858207 JMMANBIGGGGHCL-UHFFFAOYSA-N 426.586 4.354 10 20 IICD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 1116511332 PDSQUMDCKVQLMX-QGZVFWFLSA-N 439.947 4.449 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc2)C1 1317934964 XRLLUWSHPKAVOP-SIKLNZKXSA-N 440.975 4.088 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1CC1CC1 1318257966 OKVLNMBXPKQBDF-UHFFFAOYSA-N 435.490 4.300 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)cc1F 1331680198 NTCLCUATSYRVOI-UHFFFAOYSA-N 448.494 4.188 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2[C@H]3C=CS[C@@H]32)cc1 1801324266 OHHXQKCQLZZEGR-BLSGDLLQSA-N 447.604 4.221 10 20 IICD COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 72002851 BLTNDGLVBBZMPF-UHFFFAOYSA-N 441.553 4.126 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 105175821 VSSOQIULVVAVLO-UHFFFAOYSA-N 438.597 4.221 10 20 IICD COc1ccc(C(=O)Nc2cccc(CNCc3ccc(N4CCOCC4)c(F)c3)c2)cc1 237494909 UFQLJSSLUOMEHT-UHFFFAOYSA-N 449.526 4.213 10 20 IICD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccc(N(C)C)cc3)CCCC2)c1 248158105 ZTXZKSFHUCHPHS-UHFFFAOYSA-N 428.598 4.115 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 303047595 URKCEYUTRBUEBT-NHCUHLMSSA-N 445.563 4.274 10 20 IICD Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 725863224 AAULRLXTBYKUBH-UHFFFAOYSA-N 447.004 4.030 10 20 IICD Cc1ccccc1CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 726102829 YQSYVGVVPZMBAC-UHFFFAOYSA-N 448.542 4.278 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCc2ccncc2)cc1 729570927 OORSLZYYODXORN-UHFFFAOYSA-N 432.524 4.161 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(CCc3ccccc3)CC2)cc1F 731363990 FUEUMTKSZPYDEM-UHFFFAOYSA-N 426.580 4.178 10 20 IICD CC(C)C[C@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 732241109 AYVJHHBTSCSSRJ-IBGZPJMESA-N 442.629 4.448 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)c1ccccc1 732756989 DRVSRTHDVLMUAZ-INIZCTEOSA-N 434.458 4.067 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 732910530 QPONVVVMBMXTKD-UHFFFAOYSA-N 449.941 4.158 10 20 IICD COc1ccc(OC(F)F)c(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1 733000372 GFSYKRXXRMIVRW-OQLLNIDSSA-N 430.542 4.086 10 20 IICD COc1cccc(CNC(=O)c2csc(-c3ccc(Br)s3)n2)c1O 738526318 GVSCHTXNHKLSFB-UHFFFAOYSA-N 425.329 4.278 10 20 IICD COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743687315 PYWXZXBQXLCHMH-IRXDYDNUSA-N 449.498 4.032 10 20 IICD CCc1cc(N2CCC[C@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)C2)ncn1 745816696 LPPHOBOFNDCNSR-NRFANRHFSA-N 437.588 4.258 10 20 IICD CCCCn1ncc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C 746143140 XRRKHXFTAABRNF-UHFFFAOYSA-N 439.482 4.169 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1Cl 751120079 BJNMVNZOXPYONM-OAHLLOKOSA-N 430.353 4.377 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(Cl)nc(N2CCCC2)c1 754534706 AYCUYXBUMYMKRO-UHFFFAOYSA-N 431.879 4.363 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 759384928 UQHWMUHIEJPJNL-UHFFFAOYSA-N 432.274 4.135 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccn1 760862124 IVRXIMBEGBEFBR-CJFMBICVSA-N 447.535 4.276 10 20 IICD CC(C)C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccn1 765279366 DRARDFSEBHEYFC-QHCPKHFHSA-N 434.563 4.214 10 20 IICD CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC(F)F)c(OC)c3)cc2F)CC1 765853071 PSWRKNQJECZBAC-INIZCTEOSA-N 437.506 4.428 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)NC(=O)Nc1ccccc1 769294691 BKTMYRFQXZXKPF-UHFFFAOYSA-N 434.334 4.104 10 20 IICD C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769899627 JPBIVSRDNCDDPN-ZDUSSCGKSA-N 446.525 4.153 10 20 IICD Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1NC(=O)OC(C)(C)C 772369895 MKVNHKLRTOENKW-UHFFFAOYSA-N 439.556 4.451 10 20 IICD C[C@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc(N(C)C)cc1 773621359 XVMQAPJQXVVSCJ-KRWDZBQOSA-N 428.964 4.025 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc2cc(Br)ccc2s1 773741240 UKAFPWDBYJIJDD-LLVKDONJSA-N 435.343 4.150 10 20 IICD C[C@@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(N(C)C)cc1 773993511 HBHLYGFUFGVEEL-MRXNPFEDSA-N 432.549 4.068 10 20 IICD C[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc(Cl)c(Cl)cc1O 774174133 PACRVRPSCLKEMB-YOEHRIQHSA-N 436.383 4.247 10 20 IICD C[C@@H](NCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775257712 MBUGZVMOQWVMME-JOCHJYFZSA-N 429.564 4.407 10 20 IICD Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 778478789 JQFWRZCPDCNYIN-UHFFFAOYSA-N 443.467 4.125 10 20 IICD Cc1nn2c(CN3CCCc4cc(CNC(=O)OC(C)(C)C)ccc43)c(C)nc2s1 780775526 VYYYDZAKKWPVNB-UHFFFAOYSA-N 427.574 4.385 10 20 IICD O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 785857573 KAVUSRDKXFINPM-UHFFFAOYSA-N 433.472 4.482 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cscc3Br)SC2=S)cc1 794680584 PIDCUZWVGKCNSZ-XGICHPGQSA-N 425.354 4.015 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)cc2F)C[C@@H](C)O1 798400114 TUTWOZUYGYUTCZ-CALCHBBNSA-N 438.547 4.201 10 20 IICD COC(=O)c1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1OC(C)C 799246918 CVBDMOPNAHRYGZ-UHFFFAOYSA-N 441.528 4.013 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 801548913 WPTLHTAMIFZCCO-ZDUSSCGKSA-N 439.375 4.163 10 20 IICD CC(C)Cc1ccc([C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)cc1 804102929 HMWLGPJZCGPBGN-RUZDIDTESA-N 431.580 4.145 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1F 804852516 JNKSRDZUZQIQJP-INIZCTEOSA-N 448.608 4.396 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccc(Cl)c1Cl 807121672 XPKMEAUOLVHAIL-CQSZACIVSA-N 434.367 4.428 10 20 IICD Cc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 916026136 YSHVTHOIMOMHLO-UHFFFAOYSA-N 427.467 4.476 10 20 IICD C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917381177 XOIUJLQEOMFTBU-MRXNPFEDSA-N 448.485 4.114 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2cccc(Br)c2)CC1 917385915 AORMHLUXUAKXRK-UHFFFAOYSA-N 431.399 4.350 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Br)cnc1Cl 917658047 LYLKBRQPTSBQLD-UHFFFAOYSA-N 446.798 4.163 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCc3cccc(Br)c3)cc2F)C[C@@H](C)O1 917709964 LAQRLVKOBOMPOS-HZPDHXFCSA-N 449.364 4.451 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 917927898 LMOIFEIQYHKHDX-UHFFFAOYSA-N 429.586 4.091 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccnc2Oc2ccccc2)cc1 918311005 QTZMGMAATIJNOM-UHFFFAOYSA-N 432.524 4.317 10 20 IICD Cn1nc(C(C)(C)C)cc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1115835116 IOBWEKZYMPOJOX-KAMYIIQDSA-N 448.639 4.399 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nccn1C 726088933 ROIGDWJHLXTDQS-HSZRJFAPSA-N 446.507 4.229 10 20 IICD O=C(Nc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1)[C@@H]1CCCO1 726241724 LJHFVKNSMRKYLD-QHCPKHFHSA-N 449.507 4.015 10 20 IICD C[C@H]1CN(c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2F)C[C@H](C)O1 726467158 YIYIXHWHTVSDJA-ROUUACIJSA-N 430.593 4.252 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 727248592 IZKJMGDRMVOPIP-UHFFFAOYSA-N 436.580 4.138 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 727675826 IBBYRSZBVTXOGY-UHFFFAOYSA-N 429.492 4.032 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 728308094 HESBEJSKQPVTFZ-AZGAKELHSA-N 435.612 4.496 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(Br)c3C)cc2F)CC1 730383203 GQEIFQDHVMBTEY-UHFFFAOYSA-N 449.368 4.360 10 20 IICD CCn1nc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)ccc1=O 731967773 RRHDICPFAPMQPU-UHFFFAOYSA-N 425.510 4.118 10 20 IICD COc1ccc(C[C@H](NC(=O)NCc2cc(OC)ccc2O)c2ccc(OC)cc2)cc1 734065315 UALMAFQMEJGNMR-QHCPKHFHSA-N 436.508 4.201 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 734218485 UQZABWXYWHGATJ-FQEVSTJZSA-N 430.593 4.218 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)cc1-n1cccc1 740453908 ILYQLHPZVJHFCG-UHFFFAOYSA-N 428.895 4.428 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 740918608 JVNBRRGKZCSIBV-WIYYLYMNSA-N 431.939 4.043 10 20 IICD CCOc1ccc(-c2noc(CCC(=O)NCc3ccc(N4CCCCC4)cc3)n2)cc1 742475359 IROWWOAACXFCTB-UHFFFAOYSA-N 434.540 4.375 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2OC(F)F)NC(=O)OC(C)(C)C)cc1 742752211 FKLJMKQVBWAVKH-GOSISDBHSA-N 449.498 4.350 10 20 IICD COc1cc(F)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 743148535 PBKDBQKRSSPOBR-ZDUSSCGKSA-N 439.434 4.235 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 743336503 KPDRTWHALMFSEE-QYWGDWMGSA-N 428.529 4.480 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1ccccc1)C1CCCC1 746947028 VCQZLKMHAHBSEK-UHFFFAOYSA-N 425.548 4.359 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3c[nH]c4cc(F)ccc34)cc2F)C[C@@H](C)O1 747857838 YFHBISVZBMSEHY-IYBDPMFKSA-N 442.510 4.102 10 20 IICD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 751386779 UZGWUJOMBTVMHE-NBGIEHNGSA-N 433.596 4.293 10 20 IICD C[C@@H](C(=O)Nc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)cc1)n1cncn1 756851350 UDJRISYKHOLPQT-NEPJUHHUSA-N 448.296 4.258 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)CC2)cc1 758448216 GOCPCSJRJPIDRO-VWNXMTODSA-N 441.547 4.365 10 20 IICD C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 765874099 FKRCMJNKZWUAHN-BXKMTCNYSA-N 425.548 4.300 10 20 IICD CCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CCN(C(=O)c2ccccc2)CC1 769210196 YXLIEBAMFIHGRQ-UHFFFAOYSA-N 431.920 4.471 10 20 IICD CCc1ccc(N(CC)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 769685128 QHZGPSXYYGEKDM-UHFFFAOYSA-N 430.551 4.484 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 774193581 SVQUAHDUECRNIC-ROUUACIJSA-N 437.531 4.105 10 20 IICD C[C@@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(N(C)C)cc1 776237499 AUUHTUZVXIZXLX-NVXWUHKLSA-N 428.964 4.259 10 20 IICD O=C(Cc1ccc(F)cc1Br)Nc1c(-c2ccccn2)nc2ccccn12 776861030 REYZKIWSHLMNPB-UHFFFAOYSA-N 425.261 4.479 10 20 IICD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccccc3-c3cccs3)CC2)cc1 778225921 LHJYNSKELPDRGN-OUKQBFOZSA-N 447.560 4.267 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(Br)nc1)c1ccc(N)cc1 783487057 TZXGQARXNGCNJB-CQSZACIVSA-N 439.313 4.159 10 20 IICD Fc1cc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)ccc1N1CCOCC1 785426038 KOERQMXXPYVYJO-UHFFFAOYSA-N 434.437 4.361 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3c(C)csc3C(=O)OC)n2)cc1 785542460 CAKZCJIUSMONCD-UHFFFAOYSA-N 438.552 4.166 10 20 IICD Cc1ccccc1C(NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1C 788933878 YZQFBVCWRKDQTM-UHFFFAOYSA-N 441.575 4.426 10 20 IICD COc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2SC)cc1Cl 792702765 ZKPWJSMAMBXDMI-UHFFFAOYSA-N 438.752 4.339 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](CC)c2cc(Br)ccc2O)s1 797139555 HFLNVBSLVZZVBD-JTNHKYCSSA-N 441.395 4.273 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3OCCC(N)=O)cc2Cl)C1 800527263 YWZOYKROIGSDIM-MRXNPFEDSA-N 444.963 4.152 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S[C@H](C)C(N)=O)cc2Cl)C1 800974818 RKOUJKRBNUPRPJ-JKSUJKDBSA-N 446.016 4.472 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC2(CCOCC2)C1 802496641 LDZJXJWECIIRAN-UHFFFAOYSA-N 435.572 4.006 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3cccc(C(F)(F)F)c3)cc2)CC1 805023229 DCLOHGHZCQYPJJ-UHFFFAOYSA-N 447.501 4.217 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 815285297 CRYOJVNYTJDSSM-LJQANCHMSA-N 445.581 4.158 10 20 IICD C[C@@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1O 815659413 BIYCTXXIPWYHPZ-GFCCVEGCSA-N 432.767 4.323 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458772 UAWUDPOFAXXVFK-UHFFFAOYSA-N 447.379 4.194 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 916497856 ZGQCFQALYYSMBI-KRWDZBQOSA-N 438.597 4.149 10 20 IICD CCN(CC)c1ccc(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1 916505406 YSIMYRSGQXKABF-UHFFFAOYSA-N 447.377 4.123 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@H](C)c1nncn1C 916580745 SOGOTFKRPHRRCL-KDOFPFPSSA-N 446.477 4.371 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1OC(F)(F)F 916673786 XFYHYTXDMQPSTC-UHFFFAOYSA-N 427.398 4.007 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 918038519 VISMIKLQJPHUIP-UHFFFAOYSA-N 438.572 4.358 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1 918222820 XMXZVUJACQJIDL-WOIUINJBSA-N 425.548 4.356 10 20 IICD C[C@@H](NC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccc(N2CCOCC2)cc1 920921438 FYHVQVWLBXAOEG-JOCHJYFZSA-N 444.579 4.434 10 20 IICD CCn1c(O)nc2cc(-c3nnc(-c4cc(C)n(-c5ccccc5)c4C)o3)ccc2c1=O 1322047875 IPGDTTAKAZBCAF-UHFFFAOYSA-N 427.464 4.247 10 20 IICD CC(C)/C=C/C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301544 ZOWMOVKJPOHWBV-HITCCNIDSA-N 436.508 4.163 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)n2)s1 727248177 HSDIKSRGWTZSOU-UHFFFAOYSA-N 442.547 4.403 10 20 IICD Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 730199875 HGMLHLPKRJSWOB-GFCCVEGCSA-N 449.488 4.277 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cc(Br)c2c(c1)OCCO2 731283713 FXVVQYANOSPPFB-UHFFFAOYSA-N 435.318 4.048 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1 731859168 UBSJDIQJGVURAI-WMZOPIPTSA-N 448.357 4.438 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1F 740915026 KXEDTJYASIZKCY-VQIMIIECSA-N 436.572 4.117 10 20 IICD CCOc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OCC 742800414 JVWVAYSYCNWGBV-KRWDZBQOSA-N 434.483 4.484 10 20 IICD Nn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1[C@H]1CCCCO1 743455494 MRBWRDSJIFOKTG-GOSISDBHSA-N 437.529 4.380 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cn2)cc1C 743958179 POQQIGHDKDOINR-UHFFFAOYSA-N 445.519 4.330 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccnc3NC(=O)C(C)(C)C)c2C)cc1 745564870 PPKSVGKWSYSRNC-UHFFFAOYSA-N 448.523 4.217 10 20 IICD Cc1cc(C(=O)NC2CCN(C3CCN(C)CC3)CC2)c(C)n1-c1cccc(Cl)c1 747773447 IZBMKBZNBYOBHT-UHFFFAOYSA-N 429.008 4.036 10 20 IICD CN(Cc1ccc([S@](C)=O)cc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 749779791 QQIZRYVUKMVVJE-HKBQPEDESA-N 434.521 4.437 10 20 IICD CC(C)=CC(=O)NCc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751307941 OXFMBHHWWOOCKK-UHFFFAOYSA-N 425.492 4.231 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(F)cc1F 753153745 AWOAHHCBNYXYRK-UHFFFAOYSA-N 435.477 4.082 10 20 IICD CCCCn1c(=O)nc(O)c2c1nc(CNc1cc3oc4ccccc4c3cc1OC)n2C 754423265 UUKYCNRQUKNDFL-UHFFFAOYSA-N 447.495 4.156 10 20 IICD C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(OC(C)(C)C)CC1 759382516 AUHNIMPPYKXZTO-INIZCTEOSA-N 434.536 4.069 10 20 IICD COc1ccc(C(=O)CC(C)(C)CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 759398066 FQRNYZZAQXFEFA-UHFFFAOYSA-N 438.568 4.180 10 20 IICD Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)c1 765716397 BIBNDQZSKJJBAX-UHFFFAOYSA-N 434.939 4.224 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Br)c2c(c1)OCCCO2 768207863 QGFYCUJHIOWCTI-UHFFFAOYSA-N 447.373 4.079 10 20 IICD C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(N5CCCCC5)cc4)CC3)cc2NC1=O 769313272 MUUSRBCYYLXNDP-IBGZPJMESA-N 447.579 4.491 10 20 IICD COc1c([N+](=O)[O-])ccc(CNC[C@H](C)Sc2ccc(Br)cc2)c1O 775024664 AMYLJMDOSIDLSF-NSHDSACASA-N 427.320 4.342 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Br)c(OC)cc2OC)c1 779506186 VCXOBDYBZUDKIH-JTQLQIEISA-N 425.279 4.063 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)cc2F)CC1 781422858 YSLCSYPFQUEVLK-QIGHUWCUSA-N 437.603 4.177 10 20 IICD Cc1nc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2n1Cc1ccsc1 788500989 DXKNYOYWMZAUCO-UHFFFAOYSA-N 446.576 4.221 10 20 IICD COc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1C(F)(F)F 790535121 CPGGRBCRGJVDJI-UHFFFAOYSA-N 427.398 4.011 10 20 IICD COc1cc(N2CCN(C(=O)c3csc4cc(C)ccc34)CC2)cc(OC)c1OC 795261428 SVJXJZNJEMIZSE-UHFFFAOYSA-N 426.538 4.198 10 20 IICD O=C(c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1)N1CCC(O)CC1 796330584 LDNSUOPCEORWST-UHFFFAOYSA-N 441.575 4.458 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(-c4ccc(OC)cc4F)nc3C)CC2)cc1 799857575 WGCRCGIXEGZWPK-UHFFFAOYSA-N 441.528 4.237 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2(S(C)(=O)=O)CCCC2)cc1 804700742 JKLJFOFZPBISTQ-UHFFFAOYSA-N 428.558 4.255 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 806277490 BANZOVGUTNEFGX-UHFFFAOYSA-N 444.409 4.240 10 20 IICD COCC1(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCOCC1 816790764 MRDUKTDUQQUCBP-UHFFFAOYSA-N 435.362 4.030 10 20 IICD CN(C)c1ccc(CNc2ccc(S(=O)(=O)N(C)C3CC3)cc2)c(C(F)(F)F)c1 864005286 NQAXRHBIJUORIT-UHFFFAOYSA-N 427.492 4.166 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc([N+](=O)[O-])c1 914037353 KNCPEKBCVILMLA-RVDMUPIBSA-N 433.536 4.276 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CCCCNC(N)=O 917339305 WMJGTYSAZCIAHV-GOSISDBHSA-N 436.478 4.137 10 20 IICD Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c12 917715903 YKKBECKZAQGVMS-HUUCEWRRSA-N 440.519 4.337 10 20 IICD C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 921076481 DYMULEUQPYZUEZ-GOSISDBHSA-N 427.564 4.342 10 20 IICD C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CN(C)C(=O)OC(C)(C)C 1116046932 QWCYGGKDJFKCHQ-IBGZPJMESA-N 432.609 4.321 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 1251180597 FWHOWJXBCLDQGE-QHCPKHFHSA-N 436.899 4.054 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(-c2ccccc2)oc1C1CC1 1321973721 WFPXZQNTPIVEOR-UHFFFAOYSA-N 435.499 4.249 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)OC(C)C)C3)cc1 1800513369 HDRPXWORFBSPJZ-SJROBZAFSA-N 437.584 4.159 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCCOc1ccc(Cl)cc1 22428037 IVPKYVPDBMKZPB-UHFFFAOYSA-N 431.964 4.177 10 20 IICD CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 23106903 JUJBFDZBRIETBX-JOCHJYFZSA-N 441.597 4.307 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2OC2CCC2)c1 261449933 ORDOUSOXGUTFQY-UHFFFAOYSA-N 429.520 4.362 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2)CC1 303292697 BCYJBXGUPFGTFC-OAQYLSRUSA-N 440.632 4.103 10 20 IICD Cc1c(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n(C)c2ccccc12 479436745 JEIJRLNWVYHAHM-KRWDZBQOSA-N 433.371 4.258 10 20 IICD Cc1cc2cc(NC(=O)Cn3c4c(c5ccccc53)CN(C(C)C)CC4)ccc2n(C)c1=O 553580568 HRAASHBHPQOBGK-UHFFFAOYSA-N 442.563 4.207 10 20 IICD CCOCc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 726510226 LCJZAEFESIEIAS-UHFFFAOYSA-N 430.416 4.159 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726696221 MWJGUJMXFRSBBB-UHFFFAOYSA-N 425.529 4.443 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 727243894 ISYXTZBOSASSAK-UHFFFAOYSA-N 448.453 4.390 10 20 IICD CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 727475842 CCASNKZOWOIDPD-UHFFFAOYSA-N 426.630 4.033 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2ccccc2s1 730675727 XSVDZNDQDSJCFA-VQIMIIECSA-N 436.581 4.163 10 20 IICD O=C1C[C@H](N2CC[C@@H](N3CCCCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 730817354 QIYMITIRRYCFKY-PKTZIBPZSA-N 431.540 4.294 10 20 IICD CC(C)(C)n1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(-c2ccccc2Cl)n1 731211437 XOUXQTROAIXITN-ZSOIEALJSA-N 435.958 4.244 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)o1 735607576 OCGZEEFKEASTHJ-UHFFFAOYSA-N 432.401 4.009 10 20 IICD COC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 735754420 OFICWIWMOWDVEY-OKILXGFUSA-N 449.910 4.201 10 20 IICD COc1cc(N(C)Cc2nc(-c3cc(Br)cs3)no2)cc(OC)c1OC 741795521 LYACFMHOCILVRI-UHFFFAOYSA-N 440.319 4.223 10 20 IICD COc1c(F)cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 743117231 YNOOJAIIURRSRF-GFCCVEGCSA-N 427.398 4.365 10 20 IICD O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1c1cccc(Br)c1 748358023 NDCOXBZNGFHKQA-AUWJEWJLSA-N 437.296 4.469 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)c2C)c1 749393571 NTDQJBFSVYJPSY-UHFFFAOYSA-N 425.554 4.012 10 20 IICD COCc1c(Br)cccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 750718041 YFLOTTDLSDJQPP-UHFFFAOYSA-N 448.361 4.096 10 20 IICD O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751137787 XCQHYVUNKFESDH-INIZCTEOSA-N 430.353 4.210 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)s1 753978354 NBQLHLROGBDTPA-LLVKDONJSA-N 439.559 4.317 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ccccc4F)c3)cc2F)C[C@@H](C)O1 755837355 NSKNSORODMNSFB-IYBDPMFKSA-N 441.482 4.086 10 20 IICD CCC[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1F 758710011 LTAFVBFJWBVDNS-HTAPYJJXSA-N 444.526 4.007 10 20 IICD Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 762474992 LVJDRYSGNQVZIA-UHFFFAOYSA-N 426.210 4.163 10 20 IICD COc1ccc(Cl)cc1N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 765643888 KEEGXWJBGRLGSC-QFBILLFUSA-N 433.955 4.254 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC(C(F)F)CC1 766683831 DSYRTUGISOVWPB-KAMYIIQDSA-N 430.567 4.233 10 20 IICD C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773625147 PTOZFLWZAVAXNO-FOIQADDNSA-N 432.362 4.359 10 20 IICD C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(N(C)C)cc1 773994826 OVTMXSLCIHWJLF-MRXNPFEDSA-N 443.594 4.035 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(Cl)cc2I)c1 774499695 YCHVOCDSFJTUKV-JTQLQIEISA-N 445.684 4.288 10 20 IICD CC[C@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1cc(Cl)ccc1O 775518974 KJWJGVAPEHUQJU-FQEVSTJZSA-N 446.975 4.469 10 20 IICD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 779376493 OFLSGHNBOWDUQD-PKOBYXMFSA-N 447.938 4.154 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(N(C)C)cc1 782126585 XNIPXZKFXIKCSA-AWEZNQCLSA-N 442.972 4.269 10 20 IICD Cc1cc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)ccc2[nH]1 782425010 MTAVNWSFHLVITG-UHFFFAOYSA-N 430.508 4.303 10 20 IICD CC(=O)N1CCN(Cc2cccc(NCc3ccc(OCc4ccccc4)cc3O)c2)CC1 783703269 WXOWJTSGLKYFAC-UHFFFAOYSA-N 445.563 4.247 10 20 IICD CS(=O)(=O)c1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1Cl 788308487 XCWWVHOEAFJKLR-UHFFFAOYSA-N 434.901 4.276 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 788934248 VIVSAMFWFXDRRB-NRFANRHFSA-N 447.501 4.435 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccc(F)cc1F)C1CCCC1 788934900 ZRTODJYMYNDPDC-UHFFFAOYSA-N 441.522 4.153 10 20 IICD COc1ccccc1-c1nc(C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)no1 790374976 LENMOWLJTIIWLI-UHFFFAOYSA-N 449.555 4.209 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NCc3ccc(Cl)cc3-n3cncn3)C2)cc1 792999594 FJBLTKCKPMEGQF-KRWDZBQOSA-N 433.890 4.281 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCN1CCCCC1 800127478 UDFWNIOLYSBNNX-ICFOKQHNSA-N 438.640 4.149 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Br)cc1 800793782 VOULVUZJWAMXRU-QGOAFFKASA-N 429.339 4.419 10 20 IICD C[C@@H](CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 807678774 JOXUYINKIVKRSR-JKSUJKDBSA-N 435.490 4.259 10 20 IICD CN(C)c1ccc(CNC(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc1 808494380 CEBYJTCSZKYERY-IBGZPJMESA-N 443.897 4.084 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(-c2ccc(OC)cc2)cs1 809148207 JHMTZLZKOGJTBT-UHFFFAOYSA-N 438.549 4.184 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c([N+](=O)[O-])c1 817954797 KBHNXEHSPJDTSV-UHFFFAOYSA-N 447.450 4.381 10 20 IICD O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 914793160 AJDPJEBXGWSEJW-UHFFFAOYSA-N 427.410 4.121 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2Br)cc1 917651758 YHHCQHXAEXRYHN-UHFFFAOYSA-N 429.355 4.255 10 20 IICD C[C@H](NC(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920873116 MODMKFXOSBHKHI-NRFANRHFSA-N 436.600 4.434 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)N3CCc4sccc4C3)C(C)C)sc2n1 924236106 FQNBOCXLJVIARN-GOSISDBHSA-N 443.594 4.323 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cnn(Cc3cccnc3)c2)cc1 1116191148 PYJPTUDXXSWHKA-UHFFFAOYSA-N 430.512 4.220 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)ccc1F 1319467399 HJBQVAKHTBRHOK-XDHOZWIPSA-N 431.510 4.049 10 20 IICD CCC(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1831356227 KXKIGULQGCHJOE-DEOSSOPVSA-N 449.595 4.307 10 20 IICD COc1ccc(N2CCN([C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1 39561478 NUEQDIYGIBMTPL-HOTGVXAUSA-N 438.597 4.001 10 20 IICD C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 726236531 FGLUCBMHNHKCJJ-KRWDZBQOSA-N 446.389 4.106 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1 726560963 YRENPNGKOMGUMW-UHFFFAOYSA-N 425.529 4.286 10 20 IICD O=C(Nc1cccnc1N1CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726608747 AIABANGIGZEOJO-UHFFFAOYSA-N 431.487 4.074 10 20 IICD Cc1c(Br)cccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 727030504 REJGIULMAFPUPM-UHFFFAOYSA-N 436.325 4.179 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 728950120 DJVRCFXOHYHLQB-RBUKOAKNSA-N 443.613 4.383 10 20 IICD O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 730899342 CPGTUIUABLHGLS-UXHICEINSA-N 444.503 4.302 10 20 IICD CCCCNC(=O)Cc1noc(-c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 731786131 OLFYEVOPVJRCCF-UHFFFAOYSA-N 431.334 4.365 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H]2C(=O)Nc3ccccc32)cc1 732114575 IAOQEZIQLIIBKU-HSZRJFAPSA-N 429.520 4.420 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H]3CCc4ccccc4C3)cc2F)C[C@@H](C)O1 734066485 UNZZLVZDOWMCNG-HMFYCAOWSA-N 425.548 4.138 10 20 IICD C[C@@H](OC(=O)[C@H](C)c1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 738829875 SLKOMZLXKUDMQQ-ZIAGYGMSSA-N 433.485 4.197 10 20 IICD Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 738978758 WZTFRCFOFCTSPP-ICSRJNTNSA-N 425.548 4.183 10 20 IICD Cc1cccc(F)c1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 742724154 TYUKBUSKPOKYAK-GZTJUZNOSA-N 434.583 4.493 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1 743191175 FAMMYLQXXHFXQI-UHFFFAOYSA-N 442.361 4.276 10 20 IICD Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc2C)c1 743957832 CBBGLQPLZDLDAF-UHFFFAOYSA-N 445.519 4.330 10 20 IICD COCCOC[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 744417090 NIQGSHAHZRGZPL-SFHVURJKSA-N 449.389 4.024 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)ccc1F 747858117 OVFCBMJSLHLKGZ-UHFFFAOYSA-N 426.878 4.190 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C(=O)c2cc[nH]c2)cc1 748706917 OBQGTKBBZIBBGB-UHFFFAOYSA-N 439.462 4.246 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2ncccc2C)sc(C)c1-c1ccccc1 750513392 MNKBKDYLSMJCJQ-UHFFFAOYSA-N 438.505 4.399 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)n1-c1nccs1 751403750 FAQZWTZACJVSRX-NRFANRHFSA-N 438.597 4.438 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCOC1 752850479 LHSNLYQGDGMMCH-NRFANRHFSA-N 432.572 4.003 10 20 IICD C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1cc(Br)cc(Cl)c1O 756706552 BARJRVROZPVWST-LLVKDONJSA-N 429.717 4.418 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1 761974814 XZWHOYOABFWEFJ-MGPUTAFESA-N 442.581 4.091 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 764157365 NAADMXSAWXXRQE-UHFFFAOYSA-N 429.854 4.362 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1I 765118595 MWOLYDLLHAKKSF-CQSZACIVSA-N 440.300 4.118 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCc4c(F)cc(Br)cc43)cc2)C1 765240784 BBMALBJRUNAWOB-QVKFZJNVSA-N 446.364 4.067 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3I)c2)CC1 767883671 YOXFBUCTTAQXDZ-UHFFFAOYSA-N 449.336 4.074 10 20 IICD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 769491826 DTOWNMDQBWEVDB-UHFFFAOYSA-N 429.605 4.135 10 20 IICD O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 772774786 KUPFNEKFECRGLE-DUXPYHPUSA-N 449.303 4.331 10 20 IICD C[C@H](NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 775256527 ZBDMIAMVXRDTNL-INIZCTEOSA-N 436.383 4.139 10 20 IICD O=C(COc1cccc2cccnc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 780956886 YJSZHWVHIZDXCX-QGZVFWFLSA-N 427.451 4.000 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(N)cc1 783485885 LERXLTWBTDQJOR-KRWDZBQOSA-N 442.519 4.350 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1F 789895545 FGJDPORJADNOPW-QGZVFWFLSA-N 427.520 4.110 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)NC(C)(C)C4=O)c3)c2C)cc1 790443169 PONBYBIFQOOQBA-UHFFFAOYSA-N 446.507 4.190 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2ccn(C)n2)c(C)n1-c1ccc(OC(F)F)cc1 795797892 WCFXBUAFQCFLQL-MRXNPFEDSA-N 445.466 4.176 10 20 IICD COc1ccc(O)c(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 806858278 HVPLADHTZYCYQV-HXUWFJFHSA-N 428.529 4.309 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(Oc2ccccc2)c1 807386894 OUMRQYFDLUNDCT-UHFFFAOYSA-N 441.281 4.202 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1C1CCCCC1 810392158 OYYRQSXLSVYUBU-UHFFFAOYSA-N 425.577 4.138 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(COc4ccc(F)cc4)nc3C)CC2)cc1 817972896 PGGXTJYVMFPOFZ-UHFFFAOYSA-N 441.528 4.141 10 20 IICD O=C(NCCOc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 916650955 ZLDAMFGQEJMZSZ-LJQANCHMSA-N 438.446 4.181 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1C 917758421 WXPDCXSZABYFSG-UHFFFAOYSA-N 442.562 4.129 10 20 IICD CNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cc1 918047464 DJJRDKPJBDFHFY-UHFFFAOYSA-N 440.341 4.146 10 20 IICD COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918221060 NJFSZRFBNLASGP-BZSNNMDCSA-N 429.536 4.351 10 20 IICD Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 919786683 BHTXXJMQELZSMY-CQSZACIVSA-N 427.492 4.472 10 20 IICD Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919969600 AAAROWYJZBZXRQ-UHFFFAOYSA-N 435.593 4.181 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCc1cnn(C)c1 1318058485 VAMUDRPDIAYKGP-HXUWFJFHSA-N 445.489 4.457 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccnn3C[C@H]3CCOC3)cc2Cl)C1 1339935733 BDOVOGDPOGVRTE-FUHWJXTLSA-N 431.968 4.131 10 20 IICD CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815045621 VPBAZEPCOXSXOM-BLLLJJGKSA-N 434.924 4.216 10 20 IICD Cc1cccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1842712830 NRQMUJLJVYHKDI-UHFFFAOYSA-N 441.575 4.462 10 20 IICD CC[C@]1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC(=O)NC1=O 72019547 ZMKJUINZKYSPFS-AREMUKBSSA-N 429.520 4.431 10 20 IICD CCOc1c(OC)cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 237062819 MERZNZHNVCFWGZ-KRWDZBQOSA-N 436.499 4.463 10 20 IICD OC1CCN(c2ccc(CNCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2F)CC1 238164636 IIVMNUBMPFUUDC-UHFFFAOYSA-N 448.464 4.281 10 20 IICD OCC1CCN(c2ccc(CNc3ncnc4ccc(Br)cc34)cc2)CC1 261374104 PWUCCAUYAWXCEV-UHFFFAOYSA-N 427.346 4.213 10 20 IICD CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 483026637 MHECDNIILGKVLL-UHFFFAOYSA-N 435.568 4.317 10 20 IICD O=C(COc1ccccc1C(F)(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567086 FGCRGOUTCRCYSV-UHFFFAOYSA-N 444.400 4.471 10 20 IICD CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731121282 PTGXWIIJHAXARX-IFMALSPDSA-N 428.621 4.149 10 20 IICD CC(C)COc1ccc(C2(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCC2)cc1 731575631 FFVZASUWDRHHHQ-UHFFFAOYSA-N 440.559 4.435 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1c(O)cccc1Cl 733332211 RWWXVZHRDHOUAC-UHFFFAOYSA-N 427.932 4.090 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c1 734073875 ZFESXWHPERMXIJ-UHFFFAOYSA-N 442.924 4.460 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c1O 737284784 RVNKSXLLVATISO-UHFFFAOYSA-N 426.856 4.101 10 20 IICD CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 738885446 VPLRJKOVRGJSBH-UHFFFAOYSA-N 443.613 4.490 10 20 IICD Cc1cc(C(=O)COc2ccc(OCC(N)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 739900133 ZDWIHTODWZPRTJ-UHFFFAOYSA-N 446.425 4.239 10 20 IICD C[C@H]1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC[C@@H]1NC(=O)OC(C)(C)C 740856828 LLHTXBZZRWHALU-JXFKEZNVSA-N 440.540 4.064 10 20 IICD Cc1ccc(N2CCC[C@H](NC(=O)N(Cc3ccco3)Cc3ccccc3O)C2=O)cc1 745885328 QALMQGYNIUWYLL-QFIPXVFZSA-N 433.508 4.201 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1 746036077 DZNKLFNXZORTNW-UHFFFAOYSA-N 439.951 4.361 10 20 IICD CC1(C)CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 746975755 ZVQLAOPHERAWTN-QFIPXVFZSA-N 425.548 4.399 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)sc2C)cc1 748991864 LSBRMWSXAMJVFU-UHFFFAOYSA-N 433.511 4.453 10 20 IICD C[C@H](NC(=O)NC1(c2ccc(Br)cc2)CC1)c1ccc(N2CCOCC2)cc1 749008720 DGTBNQHBZQNLRZ-INIZCTEOSA-N 444.373 4.335 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CCCOc3ccccc31)c2[N+](=O)[O-] 749820151 HPZZZDLEXICFNR-LJQANCHMSA-N 442.427 4.014 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1 752622693 WRAFWPOWWDEEKK-VBKZILBWSA-N 433.346 4.178 10 20 IICD CO[C@@H]1Cc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2C1 752969173 NDSLHQQJSULQIM-GHTZIAJQSA-N 431.483 4.192 10 20 IICD C[C@@H]1CCN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2S1 756334873 DHUXLHGDOOMUON-UYAOXDASSA-N 426.582 4.291 10 20 IICD C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)c(F)cc1O 756636876 XGQUAVZWDZGGEC-AWEZNQCLSA-N 437.353 4.101 10 20 IICD COc1cc(N2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)cc(OC)c1OC 759873725 ZTJRFHPTBOFUAQ-UHFFFAOYSA-N 449.551 4.009 10 20 IICD CC(C)(C)[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 763565057 JTLZGCCTKHTYPC-QFBILLFUSA-N 425.520 4.150 10 20 IICD COc1ccc([C@@H]2CCCC[C@H]2NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1F 765257428 YFPKRYVVQLXLGW-JCTONOIOSA-N 439.575 4.352 10 20 IICD COc1ccc(NC(=O)C[C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 765642461 BUDALTBVGIKGQJ-MRXNPFEDSA-N 433.499 4.272 10 20 IICD O=C1Nc2ccccc2C12CCC(N[C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2 765995354 UZKMUFUQGPGMKT-CMAULLTDSA-N 439.987 4.432 10 20 IICD Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)n1-c1cccc(Cl)c1 769316948 QCYJNXKYVMUDMA-DHIUTWEWSA-N 429.992 4.245 10 20 IICD O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1cccc(Br)c1O 769476810 ZZFXMDAYPBDNRM-SFHVURJKSA-N 431.330 4.083 10 20 IICD CN(Cc1ccccc1O)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl 770251582 CPTXNYBMKURFLV-UHFFFAOYSA-N 425.131 4.282 10 20 IICD C[C@H]1CN(c2ccnc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2)C[C@H](C)O1 770824802 SUPNCOTWFAVJJE-PMACEKPBSA-N 448.567 4.197 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc21 773782878 DTJWBZUEJUVZAF-OXJNMPFZSA-N 443.588 4.422 10 20 IICD COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(Br)cc1F 775640322 CKAPNPFVMFXCDH-LLVKDONJSA-N 438.297 4.324 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cccc3c(C)ccnc23)nc1-c1ccccc1 777686448 AOOOJSDASXRJJJ-UHFFFAOYSA-N 438.534 4.426 10 20 IICD C[C@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)c1ccc(N2CCOCC2)cc1 779872589 CSWFHIDYXBIQAH-INIZCTEOSA-N 425.529 4.201 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12 782787790 KLIRHXIRSMMERK-UHFFFAOYSA-N 431.544 4.243 10 20 IICD CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 782950863 VIHOXPQMHPIECV-HNNXBMFYSA-N 434.370 4.077 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 783316391 LUFPVVBVVUTAMO-UHFFFAOYSA-N 440.563 4.258 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796279627 PLCFTBGZBHDPCK-IBGZPJMESA-N 435.593 4.008 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4cnccc34)cc2Cl)C1 800636911 QMOLHBFPOBUSCZ-INIZCTEOSA-N 436.943 4.379 10 20 IICD CCCCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1O 801595926 VNKGOZOEIWILFH-FQEVSTJZSA-N 449.473 4.301 10 20 IICD CCc1nc2cc(CNC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2n1C1CC1 801745322 FCHULCNEXYCURS-UHFFFAOYSA-N 449.624 4.486 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N3CCCCC[C@H]3c3ccncc3)cc2)CC1 805025351 QOUGWWIGOZPBEV-DEOSSOPVSA-N 434.584 4.078 10 20 IICD Cc1c([C@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)C)oc2ccccc12 805890213 FAHOJNGDUCPJEH-QGZVFWFLSA-N 431.583 4.310 10 20 IICD C[C@@H](c1cccs1)N(C)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807951705 FIYKPGBKDPXLIS-CVEARBPZSA-N 434.005 4.474 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2C)cc1 912065567 DAVSSNRWQXQYKF-HXUWFJFHSA-N 447.583 4.440 10 20 IICD C[C@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(N4CCSCC4)cc3)n2)C1 916670677 DJUWREKHXZLEFA-KRWDZBQOSA-N 445.658 4.250 10 20 IICD Cc1cc(C)n(-c2ccccc2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 916677694 FPTPLHYCIKUAHL-UHFFFAOYSA-N 433.556 4.020 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 918182876 FJTVWELUVOFGBZ-CQSZACIVSA-N 425.426 4.242 10 20 IICD COc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918215416 GLCPVWHCRQYCJV-GASCZTMLSA-N 435.927 4.101 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1Cc2ccccc21 918631502 URVPFIHKMZHDLD-BRYHAGSVSA-N 428.604 4.186 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2Cn2cncn2)cc1 919653211 OHBJLRNJAPNNDF-UHFFFAOYSA-N 430.512 4.220 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290815 HWULMAFYXGEGDU-KRWDZBQOSA-N 446.935 4.361 10 20 IICD C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 57512485 XZTCLXBSSKSLQZ-UTKZUKDTSA-N 443.569 4.349 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 108809831 ZNEVMBRNXFXHHQ-UHFFFAOYSA-N 438.531 4.306 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](Nc3nc(C(F)(F)F)nc4[nH]cnc34)C2)cc1 302883417 KXSPIEIZOLAUDH-JTQLQIEISA-N 428.365 4.054 10 20 IICD Cc1cc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c(C)n1-c1ccccn1 725746663 IZSMRHBNHROWPC-UHFFFAOYSA-N 448.567 4.486 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(CCc2ccccc2)ccc1O 725887740 WVEALLHQQWTVQZ-UHFFFAOYSA-N 448.538 4.208 10 20 IICD CCCOc1ccc(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726565607 DQFIRBXTTLVZDE-UHFFFAOYSA-N 434.483 4.241 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 727244564 BJZPZJZKTROENN-UHFFFAOYSA-N 448.482 4.298 10 20 IICD COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 727251000 OUVJQPBIXHSZRW-UHFFFAOYSA-N 442.921 4.429 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(-n2cccn2)c(Cl)c1 727591288 NSHFKVYVMYVITJ-UHFFFAOYSA-N 427.961 4.401 10 20 IICD Cc1ccc(C(=O)N2CCC(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2)cc1 727606664 UEEVAWVBOQMZQZ-UHFFFAOYSA-N 434.584 4.040 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N(C)C(C)C)c(F)c3)cc2)CC1 731132266 XIHKPFBTWGBZMZ-UHFFFAOYSA-N 440.563 4.162 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 734687406 YYJFUGFCYVRWQR-UHFFFAOYSA-N 436.522 4.353 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)cc1 734704216 YHYFPYDGSVZVHM-UHFFFAOYSA-N 431.536 4.203 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 743046051 MNUWAFUTRUILEE-UHFFFAOYSA-N 444.513 4.253 10 20 IICD Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743098767 UKSVAAGKNVFVSW-KRWDZBQOSA-N 446.498 4.089 10 20 IICD COc1ccc([C@H](C)CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 743554679 KDTKSDRXLIBKHG-QYZOEREBSA-N 443.563 4.441 10 20 IICD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1c(O)ccc2c1CCCC2 743718433 AUJAPQIJVLJQMU-UHFFFAOYSA-N 429.929 4.383 10 20 IICD C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2ccccc2[nH]1 745321300 JBMHKXFGCMVVGQ-HUUCEWRRSA-N 429.471 4.194 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(OCC2CCCCC2)CC1 745646184 BSYOAFIBPOAXJU-UHFFFAOYSA-N 447.595 4.058 10 20 IICD Cc1ccccc1C1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCCC1 749499475 RMBAMHCFFMZFFT-JOCHJYFZSA-N 433.596 4.215 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN(Cc3ccccc3O)[C@@H](C)c3ccccc3)nc12 750616648 PFKRSXMHYVNJPF-KRWDZBQOSA-N 446.507 4.081 10 20 IICD Cc1ccc([C@H]2OCCC[C@H]2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 761360362 KJCFHBSPJGOYIZ-HTAPYJJXSA-N 428.916 4.286 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 761751645 IJGRUXPKANGBOT-LJQANCHMSA-N 445.357 4.003 10 20 IICD COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 763115986 IDTKEEFUZMCYFG-WOJBJXKFSA-N 445.604 4.017 10 20 IICD CCOc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1O 769221292 AAROPGSAIKKDRJ-UHFFFAOYSA-N 433.346 4.404 10 20 IICD COc1cc(Br)cc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1O 769314740 QKAZOINJUMJQNM-CYBMUJFWSA-N 443.382 4.289 10 20 IICD O=C(Nc1c(F)cccc1NC1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769931473 IQOQKFRSQYTRKX-UHFFFAOYSA-N 447.513 4.220 10 20 IICD CCOC1CC(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)(N2CCOCC2)C1 770059169 LCAMMZKTMJUSMG-UHFFFAOYSA-N 437.544 4.493 10 20 IICD COc1ccc2c(c1)nc(CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)n2C 771392698 SUVPKNJSXHHJQX-UHFFFAOYSA-N 447.539 4.153 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 773588488 MKUSULDGQCNNFF-HRAATJIYSA-N 444.373 4.401 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 773854157 AOBCFJVGNKMNPV-LJQANCHMSA-N 430.552 4.205 10 20 IICD C[C@H](NCc1ccc(Cl)cc1I)c1cc([N+](=O)[O-])ccc1O 774494020 BRHHFNSYYHBBGA-VIFPVBQESA-N 432.645 4.409 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 774890908 GIFNMDHOHMUQQP-MRXNPFEDSA-N 446.389 4.131 10 20 IICD COc1cc(Br)cc(CNC2(c3cccc(OC)c3F)CCOCC2)c1O 775045897 CVECZPCLQMKKKP-UHFFFAOYSA-N 440.309 4.107 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2cccc(OCCN3CCOCC3)c2)c1O 779008401 OYOKUCWOQFENBB-QGZVFWFLSA-N 449.389 4.025 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1O 779012964 OPEPMZZQNJJPCG-CQSZACIVSA-N 437.353 4.414 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 779484921 WNEFAFWOYNKVNG-XYOKQWHBSA-N 425.488 4.339 10 20 IICD O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 779516035 WFJUICHNQDGQDF-VZUCSPMQSA-N 447.466 4.479 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2N2CCCC2)cc1 782424894 FIKUHVPIRADEQH-UHFFFAOYSA-N 446.551 4.113 10 20 IICD CCCCOc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl 786112599 JIFHQMGCJAMOKD-UHFFFAOYSA-N 431.964 4.355 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccc(N(C)C)cc1 789213724 SANXDCFRFIOFMI-KRWDZBQOSA-N 436.581 4.196 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2Cl)C1 791061178 FIZYDAAJLPDPPS-AWEZNQCLSA-N 438.952 4.049 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCCCCn2cc(Br)cn2)cc1 792223566 ZVYHVYGDCXKRLW-UHFFFAOYSA-N 436.398 4.114 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 793784560 QICCYHCXDWFYTB-QGZVFWFLSA-N 426.410 4.080 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)c2cc(Br)cc(C)c2O)s1 797139889 KGTCOIZZYNQVJU-GRYCIOLGSA-N 441.395 4.191 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 798088214 JXTKFYOIXCHPAU-QRWLVFNGSA-N 428.520 4.344 10 20 IICD Cc1sc(NS(=O)(=O)c2cc(F)ccc2F)nc1-c1ccc2c(c1)CCC(=O)N2 799187649 YMLARUOBCBANLI-UHFFFAOYSA-N 435.477 4.082 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3c(F)cc(F)cc3F)cc2Cl)C1 800635982 CQHXIBPRCUHUCP-LBPRGKRZSA-N 439.865 4.249 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 805023662 ZKPBVNLBSFNABO-MOPGFXCFSA-N 439.522 4.024 10 20 IICD CN(c1ccc(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1)C1CCCCC1 810214207 ROOKFMCXAFYEPC-DEOSSOPVSA-N 427.614 4.270 10 20 IICD O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 819422235 VELNZTFFVNZBPG-OAHLLOKOSA-N 449.878 4.434 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2nc(-c3cccs3)no2)c(C)n1-c1ccccc1 914469729 CWEQIVDQTJVJMS-UHFFFAOYSA-N 441.534 4.003 10 20 IICD CC(C)NC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 914718652 NHIALWYHVNBSIL-XDJHFCHBSA-N 442.563 4.042 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 915265133 YZNNHELIIXLNRH-UHFFFAOYSA-N 444.004 4.436 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 918127487 SNDFRWYWNICYKJ-FGZHOGPDSA-N 429.561 4.098 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2ncc(Cl)cc2Cl)CC1 918208908 JXBYGXXQBVLXPU-UHFFFAOYSA-N 434.371 4.020 10 20 IICD CCCS(=O)(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 920436463 MUHNUZHITGKSCM-UHFFFAOYSA-N 429.586 4.101 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2ccc(N3CCCC3)cc2)CC1 1116381937 XCVVIOOIGYXGIB-UHFFFAOYSA-N 441.641 4.138 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3cccc(OCC(F)(F)F)n3)cc2)CC1 1320940713 BSMSOMWWWHMIBE-UHFFFAOYSA-N 436.478 4.258 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccc2occc2c1 1789049327 PKKMTKNYXFQDPD-UHFFFAOYSA-N 443.459 4.301 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c2C)cc1 27098572 YBNUJIHTPUJNDR-UHFFFAOYSA-N 432.568 4.415 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)c2C)c1 108874911 DSUWRCUSVQPFNZ-UHFFFAOYSA-N 431.536 4.436 10 20 IICD CCOc1ccc(O)c(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1 237092011 KOPISSGTHHWVIC-XMMPIXPASA-N 425.550 4.382 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](Cc3nc(C)no3)c3ccccc3)ccc21 429508978 IFFYOCXHKBHEDZ-JOCHJYFZSA-N 432.524 4.310 10 20 IICD Cc1c(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)n(C)c2ccccc12 472231319 PSSOKDGEYHLZJS-LJQANCHMSA-N 442.445 4.212 10 20 IICD CN(CCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 726627296 PRIBIPJPRVJJEZ-AQTBWJFISA-N 429.523 4.028 10 20 IICD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc(C)ccc3C)sc2C)s1 727248980 JFYJVTBAQMIJIA-UHFFFAOYSA-N 435.596 4.234 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1cc(F)ccc1F 729438659 NWJFIZMCZIQLSQ-MHWRWJLKSA-N 438.546 4.324 10 20 IICD COc1ccccc1N1CC[C@H](CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731049615 GJNLBZYRIGNWFI-JOCHJYFZSA-N 436.600 4.257 10 20 IICD CCOC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1 732115304 WIKZDJVQVUJXRY-FQEVSTJZSA-N 439.556 4.163 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)c2)CC1 739602210 FBKGZGTYYVLFCB-UHFFFAOYSA-N 441.597 4.350 10 20 IICD Cc1cc(Br)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 742279753 XYGKYTRYLNHNHB-UHFFFAOYSA-N 431.421 4.484 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 742527514 HDMUIQLOTUWVBO-UHFFFAOYSA-N 431.536 4.466 10 20 IICD COc1ccc(N2CCCN(Cc3csc(CC(=O)Nc4ccccc4)n3)CC2)cc1 744388924 ADHYKSMIECLXDU-UHFFFAOYSA-N 436.581 4.045 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)ccc21 746980956 CMCJDPWRYGOKCC-NRFANRHFSA-N 444.373 4.115 10 20 IICD CC(C)[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(F)cc1 751931723 PPBAITRPWMPDQU-JOCHJYFZSA-N 441.528 4.126 10 20 IICD COC(=O)COc1ccc(N(C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 753592241 UBCNQISDNQOULL-UHFFFAOYSA-N 442.519 4.182 10 20 IICD COc1cc(Br)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 756337836 XRGVSICJWFEDEZ-QGZVFWFLSA-N 436.346 4.353 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cc1F 759506123 XINWVFMHQPQZCA-UHFFFAOYSA-N 443.425 4.217 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCCCSc1nccs1 760915012 RCKIFFZTYOUYGP-UHFFFAOYSA-N 442.404 4.266 10 20 IICD C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1Cl 765368851 FIFSBYAAFDPPHR-SFHVURJKSA-N 427.976 4.263 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 765899297 VTRPTRVTOGLVRZ-KDOFPFPSSA-N 434.418 4.202 10 20 IICD C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCCCCC2)cc1 766512904 NVINAGAGLWFLJV-OAQYLSRUSA-N 428.665 4.344 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(COc2ccccc2F)on1 767072305 SYEYGJSIVVHPCK-UHFFFAOYSA-N 442.402 4.420 10 20 IICD O=S(=O)(Cc1ccc(Cl)cc1Br)NCCCSc1nccs1 767080516 GKWUSCKSWYQTNE-UHFFFAOYSA-N 441.825 4.161 10 20 IICD O=C(Nc1cc(C(F)F)ccc1Cl)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 768715528 RTFPVGJGZKODPV-HNNXBMFYSA-N 438.858 4.130 10 20 IICD O=C(N[C@H]1CCCN(Cc2cccc(Br)c2O)C1)c1cc2ccccc2o1 770312830 PTFNEYLCDNNKJL-INIZCTEOSA-N 429.314 4.295 10 20 IICD COCc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc2ccccc12 771057439 JNGBERYBBCSQEO-KRWDZBQOSA-N 428.916 4.333 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3Cl)n2)s1 776083640 WHAGJVIPYAQHBP-UHFFFAOYSA-N 441.987 4.270 10 20 IICD Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1Cl 776083737 ZUCJFJZEHXWSQQ-UHFFFAOYSA-N 433.942 4.457 10 20 IICD COc1cc(N[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc(OC)c1 776250887 XRIUMGQEZXUBFR-HKUYNNGSSA-N 426.561 4.117 10 20 IICD O=C(CCCCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 778872617 WUERGPSMAHXLKP-UHFFFAOYSA-N 426.532 4.094 10 20 IICD Cc1cc(Br)cc([C@H](C)NC[C@H](c2cccs2)N2CCOCC2)c1O 779005702 JYRZZYWWXMIMSZ-WMLDXEAASA-N 425.392 4.249 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1ccc(Br)cc1 779073776 QJOXEPPIJQJTBT-UYAOXDASSA-N 445.357 4.067 10 20 IICD O=C(Nc1cccc2c1OCCC2=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 780696366 XPRQGYKSUCYRRZ-UHFFFAOYSA-N 431.439 4.044 10 20 IICD Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 781370284 DQVMINVUPYSWGX-JTSKRJEESA-N 425.577 4.251 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1)OCc1ccccc1 781951945 PJYCZCWZXOMKAT-UHFFFAOYSA-N 445.519 4.202 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 784109802 YDNYZDPCQOYDES-UHFFFAOYSA-N 444.539 4.093 10 20 IICD Cc1cccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1F 784202598 WHKHAQGCRRCNIH-UHFFFAOYSA-N 431.470 4.419 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 785302735 FMIVSQOUBNVYPY-CQSZACIVSA-N 447.516 4.060 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1)c1ccc(N(C)C)cc1 789744111 NENKHMAVJOVFMY-LJQANCHMSA-N 430.552 4.205 10 20 IICD Cc1oc2c(CN3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1 790391570 NLBRZUZCZJTFOX-TYFXEQRTSA-N 435.520 4.242 10 20 IICD COc1cc(N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c([N+](=O)[O-])cc1OC 790787496 GLVUCBMVADPPHL-UHFFFAOYSA-N 440.456 4.055 10 20 IICD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1cccc(Br)c1O 796432046 PSJOCJYEKYMTNG-UHFFFAOYSA-N 427.364 4.104 10 20 IICD O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1cc(Cl)cc(Cl)c1O 807836995 XDVWMMHCLLKPJY-UHFFFAOYSA-N 435.263 4.240 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(C(=O)NCC(C)C)CC3)c2C)c1 890936496 RKUGNEDZFAVWEW-UHFFFAOYSA-N 441.641 4.483 10 20 IICD COc1cccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914265708 ZVDVGBROKYIUJT-ATVHPVEESA-N 432.592 4.055 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccccn1 914613997 QGZDOMJNSMTERS-AWEZNQCLSA-N 442.859 4.235 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2F)C[C@@H](C)O1 917715674 SQWVNSFCNLFICA-HZPDHXFCSA-N 428.552 4.198 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2c1OCCO2 917847854 SEVVCNQUPCEPQT-VBKFSLOCSA-N 446.575 4.139 10 20 IICD CNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 918047470 DVIXLSAYCVOZAK-UHFFFAOYSA-N 440.341 4.146 10 20 IICD CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 918129415 FPVOPRIUVMHNHT-PMACEKPBSA-N 426.513 4.005 10 20 IICD CCCCOc1ncccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 920418283 GZRPBRQPTWXAMN-QZTJIDSGSA-N 444.551 4.013 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3cn(C)nc3C)c2C)c1 1321336634 XPNYRGUJFBPVTM-UHFFFAOYSA-N 425.554 4.217 10 20 IICD CCNS(=O)(=O)c1ccc(Cc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc1 1326173065 QLGKGYOKRJFNIA-UHFFFAOYSA-N 436.537 4.033 10 20 IICD COc1cc(N(C)CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)cc(OC)c1OC 1329425603 ITLQLCOPULWJBH-UHFFFAOYSA-N 446.853 4.398 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2CCCCC2)CCO3)cc1 1781753781 MEZXLBFBJGLBJQ-MHZLTWQESA-N 449.595 4.118 10 20 IICD Cc1oc2c(CN3CCC(CN4CCOCC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 108219001 NGSGCAUHVDWBPN-UHFFFAOYSA-N 448.563 4.018 10 20 IICD Cc1c(CNC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n(C)c2ccccc12 436992505 WTFJIPYRUYGPGZ-HSZRJFAPSA-N 441.531 4.370 10 20 IICD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)cc1 614940333 NTHCWCFULGVGFO-KRWDZBQOSA-N 447.560 4.170 10 20 IICD C[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(N2CCOCC2)cc1 726145810 NCJDBZHQCYBBNM-KRWDZBQOSA-N 446.507 4.129 10 20 IICD COc1ccc2ccc(O)c(CN3CCN(C(=O)c4c(F)cccc4Cl)CC3)c2c1 728286421 QATSWLQQMVRXEB-UHFFFAOYSA-N 428.891 4.305 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(Cc4cccc(OC)c4)CC3)ccc21 728516642 VCGWDUDBRWGFNF-UHFFFAOYSA-N 449.595 4.308 10 20 IICD Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 729568255 VOSDEGYNCDKBQK-UHFFFAOYSA-N 435.553 4.095 10 20 IICD CC(=O)Nc1cccc(OCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 729789740 NGWCZEVWSQRKLS-UHFFFAOYSA-N 445.479 4.194 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc3c2O[C@H](C)C(=O)N3)cc1 732115174 VOROLSYZFQDSOH-QGZVFWFLSA-N 445.519 4.328 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 734406248 SQPPEXWIMKLEQC-FQEVSTJZSA-N 434.367 4.289 10 20 IICD Cc1ccc(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 734817096 MFGVZXWWANWOOY-JXAWBTAJSA-N 430.620 4.397 10 20 IICD NC(=O)C1CCN(c2cccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c2)CC1 740610303 WTQBICPZDNCLIV-UHFFFAOYSA-N 441.597 4.237 10 20 IICD COc1ccc2c(ccn2CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 742799188 ICXJZUMZIIIICC-KRWDZBQOSA-N 429.467 4.037 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)N[C@H]1CCc2ccccc2C1 742988927 YIUMRVZJROFPKH-IBGZPJMESA-N 449.542 4.064 10 20 IICD COC(=O)C(C)(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 743198625 HUECXULGVQPJLQ-HXUWFJFHSA-N 426.513 4.056 10 20 IICD COCc1cccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1 743282286 KSYBJXAFNMIVAF-DEDYPNTBSA-N 427.547 4.048 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1 746514045 ZPZOCFGNCQSAMN-WMLDXEAASA-N 434.367 4.115 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)cc2)C1 747875433 MDWQMZCLXAKOLX-IMBSWCNGSA-N 445.607 4.054 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(Br)c3c(c2)OCCO3)C2CC2)cc1 748618985 HZTNHKLHYQATLV-UHFFFAOYSA-N 431.330 4.091 10 20 IICD COCCN(CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccc(OC)c(OC)c1 751483230 QVZINYYSRXLUHV-QGZVFWFLSA-N 426.513 4.122 10 20 IICD C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O 756509800 FNZFAHRYULQPRU-IFXJQAMLSA-N 435.337 4.178 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 756619832 ZVPHPPHRMHTKGQ-MWTRTKDXSA-N 439.533 4.023 10 20 IICD Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 758965294 JYYZLAPAMJQIDK-UHFFFAOYSA-N 431.448 4.116 10 20 IICD O=C(Nc1ccccc1O[C@H]1CCOC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 760067880 XRKDADTWECQJOP-IBGZPJMESA-N 447.482 4.246 10 20 IICD COCCn1cc2c(n1)[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)CCC2 760157607 DKILGCMNHHZJRY-OAQYLSRUSA-N 426.561 4.157 10 20 IICD CC(C)(c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1)C(F)(F)F 760204481 LILODKXXQMZHSG-UHFFFAOYSA-N 433.474 4.382 10 20 IICD COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc(Br)c1F 762503358 RVXVCOOCWZBDLW-UHFFFAOYSA-N 446.276 4.430 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(/C=C/c2ccco2)s1 763993057 PKNAYDHRQXXPKL-BQYQJAHWSA-N 427.555 4.176 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4cccc(Cl)c4)n(C)c3=S)CC2)cc1F 765075487 GFTLSDLTXXFNTR-UHFFFAOYSA-N 447.967 4.199 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3CCCc3ccccc3)cc2)C1 769037333 LWVFGOQLTKTPPJ-UKILVPOCSA-N 448.611 4.085 10 20 IICD O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 769233253 POLARJQPVRXKOX-UHFFFAOYSA-N 447.539 4.024 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 773317994 UCGQTWPTNFIDRA-SFHVURJKSA-N 430.474 4.160 10 20 IICD COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)c1 775405819 VKTJIUHEOBPFOA-GOSISDBHSA-N 447.535 4.270 10 20 IICD CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)ccc1O 775500655 WDNFUDHPZYAIJX-UXHICEINSA-N 431.374 4.429 10 20 IICD COc1cc(NC(=S)NCCCN(C)c2ccccc2)cc(OC)c1Br 776196993 MYFCLHWFFRMECU-UHFFFAOYSA-N 438.391 4.279 10 20 IICD CCOc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 783413627 CIBZHHOKCQQGSS-LJQANCHMSA-N 440.584 4.476 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 784857074 FGEZMWZXTBAOCK-SFHVURJKSA-N 436.512 4.085 10 20 IICD COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 785422958 RLFFJWAULCBXRC-IBGZPJMESA-N 445.563 4.264 10 20 IICD CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)oc12 785541018 XPUZYSZZUZYIRP-QGZVFWFLSA-N 449.551 4.266 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2)CC1 786256578 UMVFDCZCRWKXMS-YADHBBJMSA-N 446.378 4.082 10 20 IICD CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 787988270 YPOOERPAXJGPPM-OAHLLOKOSA-N 446.381 4.173 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 788094734 RODBPKZMMIEXSN-MFMILTCTSA-N 446.494 4.194 10 20 IICD COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OCCC(C)C)c1 790231870 QPUMKXJINZVNJZ-UHFFFAOYSA-N 426.557 4.229 10 20 IICD COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c(O)ccc3cc(Br)ccc23)C1 795686463 GFFTXDBFHBTTEX-QGZVFWFLSA-N 432.236 4.235 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c2C)c1 796335852 XQFUHBBPWILRQJ-OXJNMPFZSA-N 440.531 4.491 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 804758701 LYTJQQNSTAFIIF-KRWDZBQOSA-N 437.540 4.042 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](C)c1ccccc1C(F)(F)F 807287700 MHOSCRSZKKHBSE-DLBZAZTESA-N 445.485 4.006 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](O)c3ccc(OC)cc3)CC2)cc1 812877056 QYAKZAAERUGJET-XMMPIXPASA-N 425.573 4.197 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1F 812885119 KLKQSHYSCNHWIF-KRWDZBQOSA-N 441.551 4.152 10 20 IICD Cc1cc(CCNC(=O)CCCNC(=O)c2ccc(F)cc2F)c(C)n1-c1ccccc1 822093614 BMUDBXFVUVSZHJ-UHFFFAOYSA-N 439.506 4.241 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(F)cc1Cl 906372910 MCNQNOUPUQGNBZ-UHFFFAOYSA-N 426.878 4.175 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1cn2ccccc2n1 913359793 DDZMYPTYULDGPT-WJDWOHSUSA-N 443.575 4.121 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 914455014 ZFMILEDKRACRFQ-UHFFFAOYSA-N 448.491 4.185 10 20 IICD CC(=O)N[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1cccs1 914455866 FJXPWGSDZFSBRO-OAQYLSRUSA-N 425.554 4.203 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 918002564 FKUWAQJLTQCBQY-XMMPIXPASA-N 439.556 4.085 10 20 IICD Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)c(C)n1-c1cccc(Br)c1 918070064 YUFPPNOTAUOEML-INIZCTEOSA-N 431.330 4.031 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918220533 KSOVJHKVQBLZNT-OALUTQOASA-N 442.579 4.237 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1c(-n2cccc2)sc2c1CCSC2 919860334 USYBQSFYVLFZSM-UHFFFAOYSA-N 439.606 4.095 10 20 IICD Cc1nc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)sc1SCC(N)=O 919978593 AJNHKUKBFQPOSJ-UHFFFAOYSA-N 434.974 4.342 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccns2)C3)cc1 1800513018 XMCRFTKVYLQOEL-NUZGMZIFSA-N 434.565 4.116 10 20 IICD COc1ccc(N2CCN(C(=O)CN(Cc3ccco3)Cc3ccc(C)s3)CC2)cc1 109219850 GERNSYCJLCNWHG-UHFFFAOYSA-N 439.581 4.009 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1Cl 303913721 XMOGSYALRAHWNK-UHFFFAOYSA-N 439.940 4.475 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3cccc(OC)c3)N3CCCC3)ccc21 484972252 VVEDAHREUIDLBP-SANMLTNESA-N 449.595 4.480 10 20 IICD CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 726102176 IPGABYDQKZXPMD-HXUWFJFHSA-N 442.991 4.162 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2Br)cc1 729351528 COIRQNCRZGJPSU-FQEVSTJZSA-N 431.374 4.265 10 20 IICD CN(Cc1ccccc1O)C(=O)NCCSCCOc1cccc(Br)c1 732474266 YZMNJMHGZXRFNV-UHFFFAOYSA-N 439.375 4.108 10 20 IICD CC(C)(C)c1ccc([C@H](O)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 734857063 DOYWPRXTTUCWAM-JOCHJYFZSA-N 427.614 4.070 10 20 IICD C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 734937618 ZUIWGYFDSBQXMT-WTPASJBYSA-N 443.613 4.453 10 20 IICD CCN(CC)c1ccc(CN(C)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 738298948 JYRAMNZLGLNTRL-UHFFFAOYSA-N 441.576 4.085 10 20 IICD CN1C(=O)/C(=C/c2cnc3ccc(Br)cn23)c2cc(Br)ccc21 740763366 AKZJNOSNQIAMBJ-VGOFMYFVSA-N 433.103 4.376 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2)NC(=O)OC(C)(C)C)cc1 742749464 HIHIKMIPADHNQK-NRFANRHFSA-N 425.573 4.412 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(OCCc2ccccc2)CC1 742751953 ZMWMIOKTEKJMDS-UHFFFAOYSA-N 439.625 4.173 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCN1Cc1ccccc1 742798562 PMFCIWNOFFMEAK-UGKGYDQZSA-N 429.511 4.038 10 20 IICD C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Oc1ccccc1F 743677432 DGCAFLDXKIWUQR-HZPDHXFCSA-N 437.462 4.163 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 743718862 MONNPBZUJIVAAV-INIZCTEOSA-N 447.622 4.252 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1F 743906953 YTBWDJAGFHXGGC-UHFFFAOYSA-N 436.487 4.114 10 20 IICD COc1ccc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 745747461 VBYOECVUHMRQTH-UHFFFAOYSA-N 431.536 4.198 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3C(F)(F)F)cc2F)C[C@H](C)O1 746220239 JUSROMUFMVHKJO-GJZGRUSLSA-N 439.453 4.458 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)cc1F 747926033 YCTKISVEBDMQCT-UHFFFAOYSA-N 429.492 4.144 10 20 IICD O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 751992652 MMJMYDZEOHULCB-OAHLLOKOSA-N 449.878 4.434 10 20 IICD CCN(CCNCc1cc(Br)cc(Br)c1O)CCC(F)(F)F 756126568 AIBNGZNREZXCJU-UHFFFAOYSA-N 448.121 4.281 10 20 IICD C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756774846 LQOYELYXJVVGQS-IINYFYTJSA-N 447.142 4.311 10 20 IICD COc1cc(N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cc(OC)c1OC 759885548 KDLBEJCKYVIFFZ-HNNXBMFYSA-N 435.362 4.358 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3OCC(F)F)cc2F)C[C@@H](C)O1 762220272 OOBZQRLDATVQSV-GASCZTMLSA-N 437.462 4.405 10 20 IICD CCOc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OCC 765250153 BDZFASDFCMVQQA-WIYYLYMNSA-N 425.573 4.037 10 20 IICD Cc1c(NC(=O)NCc2cccc(Br)c2O)cccc1C(=O)N1CCCC1 765274853 BAWVCVNLCVKEDR-UHFFFAOYSA-N 432.318 4.021 10 20 IICD C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1Cl 766452392 FZQSBARMRKTTPN-MRXNPFEDSA-N 433.946 4.492 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(OC(C)(C)C)n1 768102210 BKLMKIYEACWKIT-UHFFFAOYSA-N 436.350 4.459 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 770174449 SYHNSDSXGSQZET-HSZRJFAPSA-N 444.535 4.220 10 20 IICD C[C@H](NC(=O)NCc1ccc(OCCOc2ccccc2)nc1)c1ccc(N(C)C)cc1 773209029 LGEYTSCBPWNGEJ-IBGZPJMESA-N 434.540 4.166 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 773746027 SYUORNTXNHKHOF-ZOCZFRKYSA-N 428.529 4.047 10 20 IICD C[C@H](NCC1CCN(C2CC2)CC1)c1cc(Br)cc(Br)c1O 774495807 JXGDIKCFQXTHFO-NSHDSACASA-N 432.200 4.442 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1-c1ccccc1 775207821 JMFWGUYGISGIJG-UHFFFAOYSA-N 427.551 4.448 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)ccc1C(=O)N(C)C 783483189 OQMODSOKNPISRL-SFHVURJKSA-N 444.535 4.012 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 786873808 GGDPJEZPHNVBMN-UHFFFAOYSA-N 448.950 4.490 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 788912621 XLSULRJAGOVXBE-UHFFFAOYSA-N 445.485 4.113 10 20 IICD O=C(NCCCSc1nccs1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 793100751 CKTCHBRGVGQVRD-CYBMUJFWSA-N 439.912 4.330 10 20 IICD CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(OC)cc2O)cc1OCC 794387418 HJCFVJLRCZRHTA-UHFFFAOYSA-N 449.503 4.359 10 20 IICD COC(=O)[C@@H](C)N(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 797350765 FNGGVEZFMQMTIF-FDCFBWIESA-N 443.547 4.421 10 20 IICD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800571275 HSMVMRYYRJUSNA-HNNXBMFYSA-N 440.979 4.042 10 20 IICD Cc1cc(-c2nnc(N3CCC4(CCO4)CC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802760918 ICFCDRCAPANAHG-OAQYLSRUSA-N 447.583 4.148 10 20 IICD Cc1cc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Br 807513675 SGOYZAUYVZFCRV-UHFFFAOYSA-N 446.128 4.333 10 20 IICD Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 808501941 YLWXAGPEPTWKDN-NRFANRHFSA-N 447.501 4.362 10 20 IICD Cc1nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1-c1ccccc1 810392255 PQMJZEAHMWLAIH-UHFFFAOYSA-N 430.552 4.499 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(c2cccc(OC)c2)CC1 812477543 RPWRSIZTRDVUIS-UHFFFAOYSA-N 433.346 4.427 10 20 IICD CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1cccs1 914455865 FJXPWGSDZFSBRO-NRFANRHFSA-N 425.554 4.203 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 916502618 QYOKQVAWABLTFG-UHFFFAOYSA-N 425.407 4.312 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 917503837 JWNXIMCETFFXGZ-UHFFFAOYSA-N 447.564 4.164 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Br)ccc3F)cc2F)C[C@@H](C)O1 917711217 RGUYHQDFRGUHLY-CHWSQXEVSA-N 439.300 4.271 10 20 IICD CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1 918004836 LPOHOPZTFGNSMZ-UGKGYDQZSA-N 442.991 4.238 10 20 IICD CNC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cc1 918039450 FSWFTWFXBPSEES-UHFFFAOYSA-N 440.341 4.397 10 20 IICD CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918117570 GMNZPULUUZAUCG-QGZVFWFLSA-N 449.382 4.037 10 20 IICD CC(C)[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Nc1ccccc1 918201840 OLUUZDAHSXMTRA-SELNLUPBSA-N 442.579 4.375 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)oc2c1ccc1ccccc12 918338456 VMGBTHGAMHCVKW-UHFFFAOYSA-N 448.544 4.059 10 20 IICD Cc1cc(-c2nnc(-c3ccc4c(c3)CCN4S(C)(=O)=O)o2)c(C)n1-c1ccccc1 1326054284 IDDTYEZQASSAFF-UHFFFAOYSA-N 434.521 4.133 10 20 IICD CS(=O)(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 11549517 DBQDBHBJDHVXQU-UHFFFAOYSA-N 442.924 4.025 10 20 IICD COc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2c(c1)C[C@@H](C)O2 237409921 SWJODIFYOXKNSQ-OAHLLOKOSA-N 436.474 4.164 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)cc1 303223472 WAOCJWANGVYTFO-UHFFFAOYSA-N 428.536 4.327 10 20 IICD CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 725863587 GNGNHAXHILESHE-HZPDHXFCSA-N 435.490 4.449 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 736376216 QHWJKUAJJNCVMB-HRAATJIYSA-N 434.005 4.469 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(F)c1 737036527 CSIGHFSYKFTHBR-UHFFFAOYSA-N 439.453 4.416 10 20 IICD COc1ccc(N(CC(=O)Nc2ccccc2N2CCCC2=O)Cc2ccco2)cc1F 739926285 LFDXECKGTFIEQY-UHFFFAOYSA-N 437.471 4.199 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc(-c2ccccc2)o1 740063227 UHHNNKSJFYIXMV-MRXNPFEDSA-N 438.503 4.002 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742683410 OQKRWGQVMFWFOU-NRFANRHFSA-N 436.383 4.058 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 747856665 JGYWTZRZJXTMPM-UHFFFAOYSA-N 444.943 4.121 10 20 IICD Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(N(C)C)n1 749991997 BALHOGUMKNDSHW-VBKFSLOCSA-N 446.623 4.138 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(Cc4ccccc4)[C@H](C)C3)CC2)cc1 751092526 XYYSCQJXOOIRRS-OFNKIYASSA-N 436.600 4.016 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nc(-c4cnn(C)c4)oc3C)c2C)c1 752598719 JWBOBRXEIOWQTM-UHFFFAOYSA-N 432.480 4.139 10 20 IICD COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 753664756 QCVHGBFTWZDDFC-DLBZAZTESA-N 434.483 4.159 10 20 IICD C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 754321926 YDVWFKNMBKLIBR-KBPBESRZSA-N 437.418 4.224 10 20 IICD Cc1cc(-c2noc([C@H](C)N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)n2)ccc1F 762209122 ZOXZHLPPIFQFBN-LBPRGKRZSA-N 444.850 4.069 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1sccc1-n1c(C)ccc1C 763508536 KLBOJBOFOHQKDU-UHFFFAOYSA-N 438.553 4.215 10 20 IICD COc1cccc(Cn2ccc3ccc(NC(=O)C(=O)N(C)Cc4ccccc4O)cc32)c1 763780415 NDOJMFHNMMTVIF-UHFFFAOYSA-N 443.503 4.001 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(F)c(Cl)c3)cc2F)CC1 764408864 OACWHTZLYPHJNA-UHFFFAOYSA-N 436.934 4.102 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)c(Br)c1 765242922 IQRKXTTXFAIMRG-RHSMWYFYSA-N 434.353 4.141 10 20 IICD C[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(N2CCCCC2)c(F)c1 765253276 ZRRVOZKPXNKICS-LJQANCHMSA-N 439.575 4.367 10 20 IICD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)CC1 765791179 YSESQSIHJCPUGZ-HXUWFJFHSA-N 440.607 4.296 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(-c4cc(F)cc(F)c4)nn3C)CC2)cc1 772671765 HGKYCTZUVWJLBC-UHFFFAOYSA-N 441.482 4.164 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1cnn(CC(F)(F)F)c1 775139447 BPBDQCIWGQYVIQ-UHFFFAOYSA-N 428.870 4.085 10 20 IICD C[C@H](NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(N(C)C)cc1 776239250 SQPVHCNSFOEEPQ-INIZCTEOSA-N 448.489 4.000 10 20 IICD COCCC1(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCCC1 780512448 XDWGLNMDEGPXOS-UHFFFAOYSA-N 441.595 4.019 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(Oc4ccncc4)c3)c2)CC1 781277625 DOWJAOXDXFEOIA-UHFFFAOYSA-N 430.508 4.103 10 20 IICD CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 782929154 SUKYSYQTSCRBQP-INIZCTEOSA-N 441.416 4.318 10 20 IICD Cc1c([C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)oc2ccccc12 793628577 TWHWFYHAARNPOP-KRWDZBQOSA-N 432.476 4.446 10 20 IICD Fc1cc(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccc1N1CCOCC1 796265235 FWASPNAQRJHBMP-UHFFFAOYSA-N 434.437 4.157 10 20 IICD COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cc(Br)c(F)cc1O 797041144 PCSLXTKIGOVEQM-SNVBAGLBSA-N 432.311 4.020 10 20 IICD O=[N+]([O-])c1cnc(Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)s1 799926897 HUKOUSVUPFDWLB-NSHDSACASA-N 428.499 4.121 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCN(c4nccs4)CC3)cc2Cl)C1 799993758 FCAAQIVQYJSULT-QGZVFWFLSA-N 448.036 4.455 10 20 IICD Cc1cc(-c2nnc(N3C[C@H](C)O[C@H](C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802753857 VEOQPNKAGHECOA-SVFBPWRDSA-N 435.572 4.003 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC(F)(F)c1ccc(Cl)cc1 805824831 GQHJPMVGVJPZDZ-UHFFFAOYSA-N 437.918 4.140 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1OCC(F)F 806823582 BIUHXYXBOSNWIQ-UHFFFAOYSA-N 439.890 4.484 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1 811519909 GEXVGZLPYCXAME-GFCCVEGCSA-N 435.547 4.214 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1O 811704909 HBZNHAQSYXUXAL-UHFFFAOYSA-N 435.285 4.333 10 20 IICD CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812034885 BYEYOOBAPKHUFM-UHFFFAOYSA-N 443.498 4.292 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813801018 ZJPGNHRNZKZROD-LJQANCHMSA-N 430.593 4.216 10 20 IICD Cc1cc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c(C)n1-c1ccccn1 813881358 OYBJHQCGKUFFRS-UHFFFAOYSA-N 428.895 4.371 10 20 IICD Cc1cc(NC(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)n(C)n1 814774213 ZVJXUTLROHPPOE-OVCLIPMQSA-N 428.564 4.285 10 20 IICD CCCOc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 916426947 XNFYOQYYQPVKBD-UHFFFAOYSA-N 444.443 4.089 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 916502732 KSZHDUDLSNALSS-UHFFFAOYSA-N 425.598 4.177 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccc(F)c(Cl)c3)cc2F)C[C@H](C)O1 917715354 POFRSCMFWJIBNW-GJZGRUSLSA-N 438.902 4.317 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccccc3Br)n2)s1 917902886 XUNGUPMHROKSPJ-UHFFFAOYSA-N 430.374 4.447 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 918304196 RLRVBQWYAFXRAE-UHFFFAOYSA-N 447.379 4.387 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 919687087 SNEVHNSAPLDPHS-KBIMCKIRSA-N 425.960 4.117 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNC[C@@]2(N3CCOCC3)CCSC2)cc1 920180530 YPIDSMPDEBZWQM-VWLOTQADSA-N 425.642 4.011 10 20 IICD CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 920869150 NOQJALUTGDXGKD-HOYKHHGWSA-N 439.556 4.052 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)CC2)cc1 1323330741 AWQKOSLZTAJVJT-QFIPXVFZSA-N 445.604 4.208 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 1324248055 UZACFAUZWQVEPK-HNNXBMFYSA-N 441.881 4.278 10 20 IICD O=C(NCc1cccc(C(F)F)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1338545721 ASAISQUTKVNJDW-UHFFFAOYSA-N 438.477 4.122 10 20 IICD CCC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)n1cccc1 1788427921 FVLFVXYRYISENK-HXUWFJFHSA-N 448.523 4.083 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 13343206 MXFKMDZUKWQTDO-AQTBWJFISA-N 429.567 4.335 10 20 IICD O=C1COc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)cc2N1 29071879 JHRKUIJMNKOQGO-GOSISDBHSA-N 449.532 4.035 10 20 IICD O=C(c1c(F)cccc1F)N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 727824287 IEIOKODYAWIVOB-UHFFFAOYSA-N 426.463 4.253 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 728960581 PBDJYCCVOBDSGG-LJQANCHMSA-N 443.613 4.417 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 729062312 PTIPLNVLXPUCOU-KRWDZBQOSA-N 434.492 4.104 10 20 IICD Cc1cccc2c1CC[C@H]2NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 729496609 IZVFFHMWBMFMBY-OAQYLSRUSA-N 433.474 4.337 10 20 IICD COC1CCN(C2(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)CCCC2)CC1 730913339 GFWJWGPSXHMZJC-UHFFFAOYSA-N 441.572 4.121 10 20 IICD Cc1cccc(-c2ccc(CNC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)c1 737099492 HYGYDDXPTOCPAY-UHFFFAOYSA-N 427.548 4.195 10 20 IICD Cc1cc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c(C)n1-c1ccc(F)cc1 741715563 YWAABBJTFJIHSW-UHFFFAOYSA-N 429.499 4.072 10 20 IICD COc1cc(N(C)Cc2nnc(-c3ccc(Br)s3)o2)cc(OC)c1OC 741798656 IUMJDOJRQYHEII-UHFFFAOYSA-N 440.319 4.223 10 20 IICD Ic1ccc2ncnc(NCCCSc3nccs3)c2c1 742407331 KWUJRKJUMLYKFA-UHFFFAOYSA-N 428.324 4.285 10 20 IICD Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1C(C)(C)C 742753581 KIKQYWUGIOQJNB-FQEVSTJZSA-N 443.592 4.008 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@H](C)S[C@H](C)C2)c1 742768156 WEALYDVIMGDRAW-IYBDPMFKSA-N 430.595 4.392 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1C(=O)N1CCCC1 743081005 RJYOXKXZDPEHKJ-UHFFFAOYSA-N 446.345 4.445 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3CC(F)(F)F)cc2F)CC1 743210156 JLDQQNYGZOCCAP-UHFFFAOYSA-N 438.469 4.394 10 20 IICD C[C@@H](O)c1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 748554373 MAPBWCXPPMZJEU-IIMQCXAKSA-N 446.619 4.099 10 20 IICD C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 749129199 WMIFHXODNZGTPY-CYFREDJKSA-N 445.554 4.308 10 20 IICD Cn1c(=O)c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc2ccccc21 750866881 IPBOSMYXTNMVFO-SFHVURJKSA-N 432.549 4.268 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 751306963 DHGAWNPRHHKSOU-UHFFFAOYSA-N 436.475 4.020 10 20 IICD COC(=O)COc1ccccc1[C@H](C)NC1CCN(c2ccc(OC(F)F)cc2)CC1 753658061 KWPLYFLLJHNXRX-INIZCTEOSA-N 434.483 4.159 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncc(F)cc2F)c(C)n1-c1ccc(OC(F)F)cc1 758600445 STFOQDHGZQPQHK-UHFFFAOYSA-N 436.361 4.408 10 20 IICD CCC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1F 758710018 LTAFVBFJWBVDNS-VGSWGCGISA-N 444.526 4.007 10 20 IICD COc1cc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2)cc(OC)c1OC 759885462 DSZGJNBUJFNKCL-UHFFFAOYSA-N 429.542 4.060 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCO[C@H]1CCCc2ccccc21 761310272 BEGYVDYJXGYQKA-NRFANRHFSA-N 428.916 4.294 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1-c1ccccc1 762945098 IRQKJOIDYLPHCW-UHFFFAOYSA-N 449.576 4.219 10 20 IICD CCN(CC)[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccsc1 764763432 VSZGXWYNOYQXHB-MRXNPFEDSA-N 426.380 4.099 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 765078584 MNAKKFSHAIUMSD-HOLBHBGLSA-N 426.504 4.130 10 20 IICD CCCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(C)c1 767478517 VRPUQZPNPNCAPY-UHFFFAOYSA-N 432.568 4.242 10 20 IICD COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2)c1 769543788 HYAYSDJFLDEHSJ-MHZLTWQESA-N 432.564 4.268 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(N(C)C)cc1 773844426 AXAQRIZSJKGIGB-LBPRGKRZSA-N 429.389 4.223 10 20 IICD C[C@H](NCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775255863 SYFTZLZPYOBBFZ-QFIPXVFZSA-N 443.591 4.422 10 20 IICD Oc1c(Br)cc(Br)cc1CNC[C@@H](c1ccco1)N1CCCC1 775784680 FVSDNQHZWQJIKK-HNNXBMFYSA-N 444.167 4.437 10 20 IICD Cn1nc(C(F)(F)F)c(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl 782154312 KHXUOKGCUMGLJK-CYBMUJFWSA-N 437.293 4.206 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1 782776993 DXVCYIRGUPZWDD-UHFFFAOYSA-N 433.499 4.243 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NOC[C@@H]1CCOC1 788121418 GMUWECNDAOERNG-DNVCBOLYSA-N 437.462 4.449 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)CC2)cc1 788714634 VDCIWVSRHWDUNV-UHFFFAOYSA-N 441.482 4.118 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCOCc2ccccc21 791876234 YAIHIWCWWULQDL-QGOAFFKASA-N 444.603 4.293 10 20 IICD CO[C@]1(C)CCCN(Cc2c(O)ccc3ccc(O)c(CN4CCC[C@@](C)(OC)C4)c23)C1 794652933 BKEBEAVTNLNCSR-CLJLJLNGSA-N 442.600 4.253 10 20 IICD CN1CCN(c2ccc(/C=C\c3nc(O)c4cc(Br)sc4n3)cc2)CC1 794946745 YHEYOBBSVUDADL-DAXSKMNVSA-N 431.359 4.082 10 20 IICD O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N=Nc2ccccc2)cc1 799470515 ZRBKIKSWEUMZQP-UHFFFAOYSA-N 441.447 4.032 10 20 IICD CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800049375 JGXVTGOKTHZLCW-MJGOQNOKSA-N 443.053 4.434 10 20 IICD COCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800517608 QEBQSLCMOYNEPE-INIZCTEOSA-N 444.963 4.483 10 20 IICD C[C@H](Sc1ccccc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(N)=O 801089835 UDJVPSFKEYTQSL-KRWDZBQOSA-N 425.598 4.351 10 20 IICD Cc1c(Cl)cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1Cl 807387699 RXWQOSRDRCZSNF-UHFFFAOYSA-N 432.101 4.025 10 20 IICD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 808526118 KYPJDRDZWRAHFN-UHFFFAOYSA-N 443.959 4.293 10 20 IICD COc1ccc(-c2[nH]ncc2/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 810201600 QLIUWDHZJJMCDP-LICLKQGHSA-N 437.502 4.189 10 20 IICD O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 810445105 LNFWRAHTISWYBX-RCZVLFRGSA-N 428.492 4.323 10 20 IICD CC(C)NC(=O)NC(=O)[C@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772268 RSGXZWDKCLHSRC-LWHXSLQUSA-N 433.580 4.228 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(O)nc2ccc(F)cc12 819525805 RLZNUWFXUOPASA-UHFFFAOYSA-N 439.487 4.082 10 20 IICD CC(C)N(C)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F 916683998 RCPVNTDLBAFJJX-UHFFFAOYSA-N 432.515 4.092 10 20 IICD C[C@H](COc1ccccc1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 917776117 JVNQHVFHIBKJRU-COYFKBPASA-N 446.619 4.313 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(OC)cc1 918187138 VXYRSSHRIPNQQF-JKSBSHDWSA-N 429.536 4.398 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)C(C)(C)Oc2ccccc2)NC(=O)OC(C)(C)C)cc1 1322147534 LHUBJFWAWWVCAR-NRFANRHFSA-N 441.572 4.292 10 20 IICD Cn1ccnc1C[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 1323606362 XLYYTZZHAAPIDJ-LBPRGKRZSA-N 443.183 4.105 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3c(C)cc(C)c(C(C)=O)c3C)CC2)cc1 23415972 BYRFARXYYMXIEI-UHFFFAOYSA-N 440.609 4.405 10 20 IICD COc1cc2c(cc1NCC(=O)NCCc1ccc(OC)c(OC)c1)oc1ccccc12 25892387 OWTITFMVIHONTM-UHFFFAOYSA-N 434.492 4.383 10 20 IICD CN1CCCc2cc(CNC(=O)C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)ccc21 195740229 KZPQMFBDZDSYTA-NRFANRHFSA-N 449.498 4.135 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3cn(-c4ccc(F)cc4)nc3C)ccc21 484707361 MPONEOBDJNBPKF-UHFFFAOYSA-N 434.515 4.468 10 20 IICD O=C(Nc1cccc2ccccc12)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726725863 GEYZYGNYMTXJCW-UHFFFAOYSA-N 439.462 4.165 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 727246393 NTQVSOULZUJWAB-UHFFFAOYSA-N 440.905 4.498 10 20 IICD COc1ccc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1OC 727944553 FNFXLZQZRHNRKY-UHFFFAOYSA-N 441.572 4.087 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 728139770 KQAQSCOOEGMERF-UHFFFAOYSA-N 437.437 4.432 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cnc(C2CC2)nc1 728478477 BESWKSQLVMBAHM-OQLLNIDSSA-N 430.580 4.036 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(Br)ccc2O)cc1 728839601 SGRQBOGVIBPION-UHFFFAOYSA-N 431.252 4.425 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 728979635 JTLNGZRSXGKXBS-MRXNPFEDSA-N 440.521 4.001 10 20 IICD Cc1csc([C@@](O)(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C(F)(F)F)n1 731015606 XYYVCYYQRHONAS-FQEVSTJZSA-N 441.519 4.144 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cccc3OC(F)F)cc2F)CC1 731754646 WYTWMZDMLPSCNF-UHFFFAOYSA-N 436.478 4.199 10 20 IICD O=C(NCCCC(=O)N1CCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O 732475662 LSBVTMHQBNYSIC-UHFFFAOYSA-N 433.508 4.067 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 732479246 WSONVRQCSVVJSA-UHFFFAOYSA-N 438.572 4.081 10 20 IICD Cc1[nH]c(-c2ccncc2)nc(=N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 742423918 ZXUZNBQAUGOUSN-GOSISDBHSA-N 425.483 4.260 10 20 IICD O=C(Nc1ccc2oc(=O)ccc2c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743128170 LRYUZDIGEBKZCE-INIZCTEOSA-N 429.423 4.185 10 20 IICD O=C(NCCCOCc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743524705 ZWPFUXYBFHSGTQ-IBGZPJMESA-N 433.499 4.163 10 20 IICD O=C(NCc1cccc(CN2CCOCC2)c1)N(Cc1ccccc1O)C1CCCCC1 745650136 KZJYNJANHMDFFF-UHFFFAOYSA-N 437.584 4.269 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)c2c(c1)OCCO2 748705210 BXQARCNXTRRNJK-UHFFFAOYSA-N 445.357 4.483 10 20 IICD CN(C)c1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)cc1F 749577579 ZCTBFBMDCJMTRJ-UHFFFAOYSA-N 430.661 4.146 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2ccc(F)cc2)CC1 752884904 BWFWZXIMCWILDO-UHFFFAOYSA-N 429.511 4.015 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)c2C)c1 753015886 DOLDOZJEQIBIFY-XMMPIXPASA-N 430.552 4.027 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3OC[C@H]3CCCO3)CC2)cc1F 753880472 GHBFRWUJPMJVDP-LJQANCHMSA-N 443.519 4.055 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC2(CCC2)Oc2ccccc21 757634507 GHEXWKNSYVNCGD-HSZRJFAPSA-N 435.568 4.141 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 758366584 WCJWXCHIIDFLBY-GOTSBHOMSA-N 443.588 4.441 10 20 IICD CC(C)Cn1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C(F)F 759193958 GAOHQWKQLLOIAN-AWEZNQCLSA-N 442.457 4.477 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C(C)=O)ccc3Cl)n2)cc1 761834660 DBZNFPGVPNJCAD-UHFFFAOYSA-N 449.941 4.425 10 20 IICD CC1(C)[C@H](OCc2ccccc2)C[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 762158312 OOTJUJLKEMPOAR-WOJBJXKFSA-N 428.916 4.194 10 20 IICD COCCSc1ccc([C@@H](C)NC(=O)NCc2cccc(Br)c2O)cc1 764782029 ZBEGDKUAYRZJOS-CYBMUJFWSA-N 439.375 4.454 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)C[C@@H](C)O1 765279253 YWHCAJIUVPACIT-ZIAGYGMSSA-N 434.334 4.090 10 20 IICD C[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(N2CCCCC2)cc1 765868652 RVEWXUWPBFORKF-OFVILXPXSA-N 434.628 4.225 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccc2c(c1)COC2 770655416 HFVVCTFYOFROGL-VCHYOVAHSA-N 444.603 4.076 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1CSc1ncccn1 773745552 LAAQIABFOYKILO-CQSZACIVSA-N 435.505 4.287 10 20 IICD CC[C@@H](C)n1c(SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nnc1-c1ccccc1 773762146 FQVMFRDEEMVCFI-HZPDHXFCSA-N 440.569 4.167 10 20 IICD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775404434 MJCGQYAUVFDKIG-IIBYNOLFSA-N 427.545 4.204 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 783484138 ABEMPCFHBOABNM-SFHVURJKSA-N 433.508 4.027 10 20 IICD CCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1Cl 790513856 LLYGMRAYDPWTBL-QGZVFWFLSA-N 438.959 4.416 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 791247145 WCFVPVCWYSPAND-QZTJIDSGSA-N 430.495 4.457 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 793574019 GYEICLNTKSLQQE-SJORKVTESA-N 437.005 4.382 10 20 IICD CCN(C(=O)Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1)c1ccccc1 797616077 JKIOUWZFHXKSAN-GOSISDBHSA-N 447.535 4.446 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2ccccc2Cl)CC1 807318848 LARMHVGSCAQXMN-UHFFFAOYSA-N 439.987 4.137 10 20 IICD CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1 808528625 JDJJRTPDZLHPIX-UHFFFAOYSA-N 440.568 4.004 10 20 IICD C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(N2CCCOC2=O)cc1 814451331 XXJQSLLOBKHZDB-CYBMUJFWSA-N 448.317 4.062 10 20 IICD C[C@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 817707317 KZOXIJGIKQLKOB-LBPRGKRZSA-N 444.468 4.189 10 20 IICD COc1ccccc1COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 913361707 QTYVGNAYVOQCGF-SFQUDFHCSA-N 433.576 4.482 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(CCNC(C)=O)cc3)n2)cc1 917872562 MPJGDJKXXURLRU-UHFFFAOYSA-N 447.607 4.011 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 918673309 PODQLNPJPLZINI-QFIPXVFZSA-N 444.579 4.034 10 20 IICD CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821932393 HYCWSAPXZUAREQ-MRXNPFEDSA-N 434.924 4.216 10 20 IICD Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc2c(c1)OCCO2 11030441 RKJMNLWQORXOOA-UHFFFAOYSA-N 427.403 4.183 10 20 IICD COc1ccc(N2CCCN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1 108097038 IYAQJJCNEOJNFX-UHFFFAOYSA-N 439.890 4.101 10 20 IICD Cc1noc(C)c1CN1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 108936210 AFRDFTCGPVEEGA-UHFFFAOYSA-N 426.948 4.310 10 20 IICD N#Cc1c(NC(=O)CCN(Cc2ccccc2O)C[C@@H]2CCCO2)sc2c1CCCC2 302809132 SMLTWVOOZLUEHB-SFHVURJKSA-N 439.581 4.214 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(C)n1Cc1ccco1 726627656 QBFMJMVZUUSVQE-YBFXNURJSA-N 437.546 4.251 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)SC2=S)cn1 726986002 IYWFFBHWQPYWBA-RMFUMNGISA-N 429.567 4.093 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(OCC(F)(F)F)cc2)SC1=S 727176276 INJTXZCQRDUIKZ-DHDCSXOGSA-N 432.533 4.417 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3ccccc3OC)c3nccn3C)ccc21 728463292 ZIBQMRNDGNEVRA-DEOSSOPVSA-N 446.551 4.166 10 20 IICD O=C(CN1CCC[C@H](c2nnc3n2CCC3)C1)Nc1ccc(N=Nc2ccccc2)cc1 728914162 AXLYXPLDJFCQIL-SFHVURJKSA-N 429.528 4.458 10 20 IICD COc1ccc(N2CCN(CCCNc3nc(C(F)F)nc4ccccc34)CC2)cc1 729629887 LUNWPVZOEHTWLE-UHFFFAOYSA-N 427.499 4.200 10 20 IICD Cc1cc(C(=O)NCC[S@](=O)C(C)(C)C)c(C)n1-c1cccc(Br)c1 732768241 FNMNNNQAPQTZQD-VWLOTQADSA-N 425.392 4.134 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1 732911358 VLYDVLYSQVVVFB-UHFFFAOYSA-N 426.523 4.195 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Oc1ccncc1 734547040 ILEARORKVHQABE-UHFFFAOYSA-N 431.536 4.321 10 20 IICD CC(C)S(=O)(=O)c1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 736993820 OFUUCIVQRGAYOX-UHFFFAOYSA-N 428.510 4.402 10 20 IICD COC(C)(C)C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 741971755 ONZJLMMFFHEFAB-WDGDVPDHSA-N 426.629 4.049 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 742475943 PMOPCYPJCYMTLD-UHFFFAOYSA-N 430.552 4.043 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1C[C@H]1c1cccc(F)c1 742769300 CQOMHTRAVBIUMG-AZUAARDMSA-N 437.437 4.036 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCN(Cc2ccccc2)CC1 742806169 PZYWMYZBPLBVKL-OAQYLSRUSA-N 443.538 4.285 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc(C)c1F 743045864 CGKINUZZDKSOHT-UHFFFAOYSA-N 431.514 4.252 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)cc1 745188017 MAKHOPFXZQJHPX-UHFFFAOYSA-N 438.616 4.253 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 745690754 DIAIZXJRUJLHIX-URXFXBBRSA-N 434.584 4.052 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 745842859 QIWOGJQLBBYRCX-UHFFFAOYSA-N 446.595 4.157 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 745903525 JYSCSKCWSSAWPX-NQIIRXRSSA-N 449.473 4.179 10 20 IICD O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 751137475 SFLPQNGDCLQPAF-AWEZNQCLSA-N 449.878 4.434 10 20 IICD Cc1ccc(-n2cnc3c2CCN(C(=O)NCc2ccc(N4CCSCC4)cc2)C3)cc1 753375627 CLMSJEOUYZIGOG-UHFFFAOYSA-N 447.608 4.002 10 20 IICD CCN(CC)C(=O)CCCN[C@@H](C)c1cc(Br)cc(Br)c1O 756418056 PNYIUNGCGMDTIK-NSHDSACASA-N 436.188 4.216 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cc(Br)cc(F)c3O)C2)c1 756635901 BPWINJTUZBVNPI-OCCSQVGLSA-N 439.325 4.241 10 20 IICD CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 760304894 LEOAHBWITIPROO-UHFFFAOYSA-N 436.580 4.021 10 20 IICD C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763428879 ZQFYKZQWFFXMFN-MSOLQXFVSA-N 431.577 4.151 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(I)cc1 765118608 NISZPYQFTDASMO-AWEZNQCLSA-N 440.300 4.118 10 20 IICD CCC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCc2sccc2C1 765658857 QNRKRBQQQAZCNZ-DYESRHJHSA-N 445.604 4.128 10 20 IICD Oc1cc2c(cc1CN1CCN(Cc3ccc(-c4ccccc4F)s3)CC1)[C@@H](O)CO2 768440188 DTBDWOSYMHLHBN-QFIPXVFZSA-N 440.540 4.003 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c1 768645832 QUEUTXRJWQELLL-OAHLLOKOSA-N 444.578 4.073 10 20 IICD CN(Cc1cccc(Br)c1O)C[C@H](O)COc1ccccc1C(F)(F)F 768932776 STKRLUHVBJUODV-ZDUSSCGKSA-N 434.252 4.045 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cn(C)c2ccccc12 771920291 DMWLEHHKYPWFGJ-INIZCTEOSA-N 445.485 4.454 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 772821417 CEXBAZTYUWGRQD-OAQYLSRUSA-N 440.540 4.490 10 20 IICD C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1 772875196 MDTAKSFXEFTZQL-CVDCTZTESA-N 431.621 4.163 10 20 IICD CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 773662267 UDUKXMDZNRHFMJ-VQTJNVASSA-N 425.520 4.150 10 20 IICD COc1cccc(CNc2nc(NCc3cccc(OC)c3O)c3ccccc3n2)c1O 774523373 BUQHECUSINJTEI-UHFFFAOYSA-N 432.480 4.282 10 20 IICD C[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 775190113 JQDLUNSIOKEXOO-SBUREZEXSA-N 435.955 4.489 10 20 IICD C[C@@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1cc([N+](=O)[O-])ccc1O 775556037 HMPMGKZKNRRFLH-OAHLLOKOSA-N 447.447 4.149 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(-c2ccsc2)nc1C 777827584 DAPDNCGUIRVYQP-UHFFFAOYSA-N 430.913 4.293 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 779489524 QDABWFLBGRYSJJ-QPEQYQDCSA-N 429.451 4.419 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 780678429 UVARMYZVYOIBHM-IBGZPJMESA-N 443.544 4.487 10 20 IICD Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C(=O)N(C)C(C)C 786064873 JONOVRNQPSMHAP-IBGZPJMESA-N 438.572 4.195 10 20 IICD Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)n2)c1 787013881 UNNKNFMSAGNMJO-JKSUJKDBSA-N 426.952 4.077 10 20 IICD Cc1sc(NC(=O)COCc2ccnn2C)c(C(=O)OC(C)C)c1-c1ccccc1 790192092 ROQOOOITAYCZIX-UHFFFAOYSA-N 427.526 4.178 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1 797435335 FCGBZFMZIMHILI-UHFFFAOYSA-N 432.561 4.318 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 797649295 UTRFMHRWXSSPSP-WMLDXEAASA-N 434.920 4.452 10 20 IICD CSC[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 799589438 PCNNUBMSTJFJQP-LJQANCHMSA-N 445.673 4.309 10 20 IICD O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2c1COC2=O 800047146 GXJWYLAQAXJWFN-UHFFFAOYSA-N 445.855 4.181 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807672227 ADSDAVABXBWWKS-IBGZPJMESA-N 430.552 4.041 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)cc(OC)c1OC 812930712 UBLBXXYOLGFUFS-OAQYLSRUSA-N 431.577 4.047 10 20 IICD Cc1cc(Br)cc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O 814177862 RQONHHHKTNHQGV-OAHLLOKOSA-N 433.115 4.188 10 20 IICD Cc1cccc(-n2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2C)c1 917510260 BUMRHOBELFNIJW-UHFFFAOYSA-N 429.524 4.386 10 20 IICD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 917858931 DOIJLLGVOYRJPO-UHFFFAOYSA-N 427.507 4.059 10 20 IICD COc1ccccc1C1(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1 1116076515 DSEHWRPWFVOACX-QZTJIDSGSA-N 441.547 4.327 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)nc1-c1ccccc1 1343588616 WMGQAZBVXVLFRN-UHFFFAOYSA-N 445.444 4.135 10 20 IICD CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301327 RYMIZKQAWNVUDO-NTUHNPAUSA-N 438.524 4.387 10 20 IICD COc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c1 1845399047 ICTXEGKMJCFXBO-UHFFFAOYSA-N 443.547 4.234 10 20 IICD Cc1cc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(C)n1-c1ccc(C#N)cc1 303136027 CBIFKALZGLRRNT-XMMPIXPASA-N 442.519 4.013 10 20 IICD Cc1c(CNC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n(C)c2ccccc12 527468071 YLRIMBAHVOMHLL-UHFFFAOYSA-N 430.552 4.253 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCn4c(C5CCCC5)nnc4[C@H]3C)ccc21 566639774 MNGDBNUCFBXSKK-GOSISDBHSA-N 435.572 4.371 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NCCCN(C)c2ccccc2)cc1 726445964 SCZGXIRNFLQATL-DEOSSOPVSA-N 440.657 4.135 10 20 IICD Cc1csc(CCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 727172919 OROLQIJBDDOGPG-IRXDYDNUSA-N 434.581 4.026 10 20 IICD O=C(NCCCc1nc2c(s1)CCCC2)NCc1ccc(N2CCSCC2)cc1 727175075 NVXWROCAGYVSNX-UHFFFAOYSA-N 430.643 4.007 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1OC(F)F 727176873 RBBWPDFGENGREV-OQLLNIDSSA-N 430.542 4.086 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)n2)cc1 727249158 QPXLCASUHWICJV-UHFFFAOYSA-N 440.550 4.254 10 20 IICD Cc1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c(C)n1-c1ccc(F)cc1 729539771 YNCGHQFACKLCBD-UHFFFAOYSA-N 435.543 4.120 10 20 IICD COc1ccc([C@H](CNC(=O)CN(C)Cc2ccccc2O)c2c[nH]c3ccccc23)cc1 731843536 OORNWLUUXONGEN-QHCPKHFHSA-N 443.547 4.262 10 20 IICD CCOC(=O)C1=C(CN(Cc2ccccc2O)C2CCCC2)NC(=O)N[C@H]1c1ccccc1 731845522 COJVPEHDFXEQBM-DEOSSOPVSA-N 449.551 4.008 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)C1 733334357 HXOFSKRKYRCFAF-GGAORHGYSA-N 430.976 4.358 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(COc2cccc(F)c2)c1 733921850 HSDJJTDAIHUBOA-UHFFFAOYSA-N 438.474 4.310 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)OCc3csc(N(C(C)=O)C4CC4)n3)c2C)cc1 734178656 AFQSAZGNVZCVMI-UHFFFAOYSA-N 439.537 4.432 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C 735370223 MRFSJTMPLSNYSR-UHFFFAOYSA-N 430.574 4.019 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(-n3cccn3)n2)cc1 736556897 FCADKXCMQUNXPU-UHFFFAOYSA-N 427.508 4.189 10 20 IICD C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 737037697 QRZQPEZTTZMYIL-LPHOPBHVSA-N 429.511 4.014 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1NC(=O)CC(C)C 742079346 DUCYOLIFRKTHCD-UHFFFAOYSA-N 437.584 4.118 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2)NC(=O)OC(C)(C)C)cc1 742749468 HIHIKMIPADHNQK-OAQYLSRUSA-N 425.573 4.412 10 20 IICD CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742798943 DMYFBGDCMZTYHN-SFHVURJKSA-N 446.494 4.435 10 20 IICD Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n1 742805087 GFRMJOXFJKQHMJ-GOSISDBHSA-N 426.467 4.181 10 20 IICD C[C@@H]1CN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2F)C[C@@H](C)O1 743102003 IQVTXAYJMIEDGR-HZPDHXFCSA-N 427.520 4.345 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 743716498 QFCSGMUUVTUZPU-UHFFFAOYSA-N 436.533 4.002 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(-c2ccccc2Cl)nn1 743808666 BOCHFTRWAKCZIR-UHFFFAOYSA-N 435.709 4.051 10 20 IICD COc1ccc(N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(OC)c1 752111805 NASKLABBGBYIRH-SFHVURJKSA-N 425.510 4.172 10 20 IICD COc1ccc2c(c1)CC[C@@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)C2 753153171 NHEINHHJDHYCTI-LJQANCHMSA-N 445.510 4.122 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)cc2F)C[C@H](C)O1 754158667 GTKVXPZPQHPKJB-SCYDXJQRSA-N 426.536 4.127 10 20 IICD C[C@@H](N[C@H]1CCCc2c1cnn2C)c1cc(Br)cc(Br)c1O 756400038 ADGSIJCFJFSGBJ-OTYXRUKQSA-N 429.156 4.379 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)c1 757915923 IFJJWJQPFCQPPE-UHFFFAOYSA-N 435.196 4.384 10 20 IICD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCCCSc1nccs1 759590967 RUPKCCHJIVITIZ-UHFFFAOYSA-N 433.578 4.429 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@H](c2cccc(Br)c2)C1 759600422 FDUXBBIEWLAVJS-HNNXBMFYSA-N 442.404 4.171 10 20 IICD COc1ccccc1[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccco1 765533475 GIICVLRBFLIMTP-GOSISDBHSA-N 431.286 4.345 10 20 IICD Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 765679335 RMXKQRLXFUZXAQ-IXFSTUDKSA-N 426.536 4.189 10 20 IICD CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 768611132 MLTNENHYKXODDB-GOSISDBHSA-N 442.562 4.232 10 20 IICD COc1cccc(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1O 769498016 IISCQCYJQQPMFR-UHFFFAOYSA-N 442.581 4.214 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1F 775056734 LWBOAWRCRSWWGD-UHFFFAOYSA-N 442.440 4.123 10 20 IICD CN(Cc1cc(Br)cc(Br)c1O)[C@H]1CCCc2c1cnn2C 775731666 JFQVWFMGHRBKRX-AWEZNQCLSA-N 429.156 4.160 10 20 IICD CCn1cc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)c([N+](=O)[O-])n1 777693784 FCWWERVLOSLSGJ-UHFFFAOYSA-N 443.510 4.197 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 778585653 VJRNPRKLQUVCQC-FUHWJXTLSA-N 440.540 4.064 10 20 IICD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 782249361 INMHKFMYCKIASZ-AWEZNQCLSA-N 446.573 4.126 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CCN2CCC(C)CC2)c1 784026110 CCBPZPGFWUUNQM-UHFFFAOYSA-N 437.584 4.044 10 20 IICD CS(=O)(=O)Cc1nc(CNc2ccc(Cl)cc2C(=O)c2ccccc2F)cs1 799967164 HLCFOXHGPLIADE-UHFFFAOYSA-N 438.933 4.323 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCNC4=O)cc3)cc2Cl)C1 800048830 ITIIKUMUUGMRMP-INIZCTEOSA-N 426.948 4.036 10 20 IICD COc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636626 LUICRODPPZIMJI-MRXNPFEDSA-N 429.948 4.148 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)Cc3cncc4ccccc34)cc2F)C[C@@H](C)O1 805167374 DVIYEUBJBJIMRO-GUDVDZBRSA-N 435.543 4.483 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)c2ccccc12 806493782 DPRVREQXRCABCC-HKUYNNGSSA-N 448.542 4.241 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)cc1Br 806811560 ROTOFHDXNFBSMX-UHFFFAOYSA-N 440.288 4.194 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1(C(F)F)CCCC1 809368400 JKUPDXUXMZEAOX-QBFSEMIESA-N 430.567 4.424 10 20 IICD COc1ccc(-c2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)n[nH]2)cc1OC 820006305 RXJOJSFZUQTWPE-UHFFFAOYSA-N 440.463 4.056 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-n2cncn2)cc1 915729864 YSUVTQBYDXKEMQ-KRWDZBQOSA-N 439.479 4.499 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(NC(=O)C4CC4)cc3)cc2F)C[C@@H](C)O1 916673459 IGZJTUHYIICTIZ-HZPDHXFCSA-N 440.519 4.110 10 20 IICD Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917710008 LUADSCGIJSGDPT-CALCHBBNSA-N 435.543 4.463 10 20 IICD COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(N3CCOCC3)c2)cc1 918372014 QLCPTIIJPBXRQE-UHFFFAOYSA-N 431.492 4.036 10 20 IICD COc1ccccc1/C=C(/C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 919859812 HJGOPGLOUUAIFD-NCELDCMTSA-N 428.532 4.389 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(nc2O)CCC(C)(C)C3)cc1 1319459265 WYNLRZOJVGQXEU-NRFANRHFSA-N 437.584 4.190 10 20 IICD COc1ccc2[nH]c(C)c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2c1 1319578535 QNYJRLJLNWKRFO-UHFFFAOYSA-N 429.467 4.485 10 20 IICD CCOc1ccc(N2CCN(C(=O)CSCc3coc(-c4ccccc4)n3)CC2)cc1 1320383759 BVYSWZHSLDQOQP-UHFFFAOYSA-N 437.565 4.322 10 20 IICD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c(C)n1C 1844615923 AGPMYSQDOJNYTQ-UHFFFAOYSA-N 444.579 4.180 10 20 IICD COc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC 10719188 FTLMWQXCHUBMCZ-UHFFFAOYSA-N 437.492 4.089 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCS(=O)(=O)C2CCCC2)cc1 303526152 VUGOYOSYGLZGIR-UHFFFAOYSA-N 444.597 4.042 10 20 IICD COCCn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21 726566436 YVELBGGYMIVUMY-UHFFFAOYSA-N 443.494 4.288 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1 728977601 AXSNERNHDGTVFD-GFCCVEGCSA-N 428.510 4.341 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)cc2)CC1 731015696 BFUHHQQPZAIIBW-SZPZYZBQSA-N 435.612 4.462 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1-c1cccc2cnccc12 731194200 NEFMWTBNBSKVMV-UHFFFAOYSA-N 440.551 4.290 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Br 732882293 RGXQPUJBDJNYAM-UHFFFAOYSA-N 436.375 4.333 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 734519877 AVKONRTXOKASGE-UHFFFAOYSA-N 434.515 4.452 10 20 IICD Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 737118031 XQXBILCHJMIWOG-UHFFFAOYSA-N 439.503 4.313 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)cc2)SC1=S 742575161 AYLXSYPCOMCJBS-GXDHUFHOSA-N 433.473 4.474 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc2cc(F)ccc12 742800032 OXNIMPABRPIJGT-AWEZNQCLSA-N 431.414 4.080 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 742802316 XBETWTTUODLZAM-AWEZNQCLSA-N 431.395 4.341 10 20 IICD O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742802415 YEYLCVWLZZKVPX-AWEZNQCLSA-N 437.468 4.074 10 20 IICD O=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743075488 MYFZKSSZLKHGSL-INIZCTEOSA-N 433.455 4.240 10 20 IICD COc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 752711501 WVVWLJCNAJWSDU-UHFFFAOYSA-N 438.572 4.488 10 20 IICD COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1F 753737814 LEGGGYWKHLKBNM-MSOLQXFVSA-N 433.321 4.049 10 20 IICD CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1 756874102 NKOCKNDVUORTCP-NSHDSACASA-N 432.767 4.453 10 20 IICD C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)cc(Cl)c1O 757640118 ROKWBCNDLMAYJF-DYVFJYSZSA-N 439.781 4.226 10 20 IICD CN(C)S(=O)(=O)c1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)ccc1Cl 759714823 WBGYGCGOHWOZCV-UHFFFAOYSA-N 448.035 4.075 10 20 IICD Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3ccc(N4CCCCC4)cc3)CC2)cc1 764820634 RXCUECIFJKWVNT-OAQYLSRUSA-N 441.641 4.489 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)cc2F)C[C@@H](C)O1 766351846 ANUFNPKALGGKBD-DLTLXFJOSA-N 436.449 4.277 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2coc(C3CCOCC3)n2)cc1 767906344 WKQDLDSGPGYATH-UHFFFAOYSA-N 435.524 4.490 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 768208006 LURNFPAFTLKILV-UHFFFAOYSA-N 439.563 4.403 10 20 IICD CCOc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCC(F)(F)F 768208447 QCRGAFDZMCXWRG-UHFFFAOYSA-N 438.490 4.495 10 20 IICD COc1cc(SC)ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 772658654 WLAPNWDHOARKGO-GASCZTMLSA-N 433.549 4.492 10 20 IICD CCn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)c2cc(Cl)ccc21 777849394 RLRXHJYMDVDNIN-UHFFFAOYSA-N 441.984 4.158 10 20 IICD COc1ccc([C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccc(F)cc2)cc1 779019141 KKLWWULDKQPVTK-NVQXNPDNSA-N 447.554 4.415 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2noc3c2CCCCC3)NC(=O)OC(C)(C)C)cc1 780807670 BQMWUTOWJKQJAG-IBGZPJMESA-N 442.560 4.005 10 20 IICD Cn1nc(C2CCCC2)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 781919819 DRQLZVKEVKEWIE-UHFFFAOYSA-N 444.447 4.014 10 20 IICD CCCc1nc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1 782429248 UZQAVOKYCJMTFZ-UHFFFAOYSA-N 440.569 4.231 10 20 IICD CCCCNS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782687226 KJFCEWMQELUYIL-UHFFFAOYSA-N 446.617 4.274 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(CCc2ccc(F)cc2)C1=O 790590589 MDENKZAQXPUFQN-YBFXNURJSA-N 433.526 4.295 10 20 IICD COc1ccc(N2CCC(Nc3ccc4c(c3)N(CC(F)F)C(=O)CS4)CC2)cc1 793567590 IPUVAOJDTWHRCD-UHFFFAOYSA-N 433.524 4.480 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN(CCc2ccccn2)Cc2ccncc2)c1O 797825632 ZYGJVVYMIRQPRG-UHFFFAOYSA-N 439.515 4.364 10 20 IICD CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](c1ccc(Cl)cc1)C1CCCC1 799025114 KREOOIRIJWBOOZ-FQEVSTJZSA-N 436.961 4.421 10 20 IICD CCc1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)sc1C 800637404 YDFSOIFXUOYGJE-CYBMUJFWSA-N 434.993 4.159 10 20 IICD Cc1ccc(Oc2ccccc2CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 804973371 RMRXNVFVJRICGC-UHFFFAOYSA-N 441.531 4.096 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 805127728 CNRARJSPDQZFGU-CYBMUJFWSA-N 446.281 4.379 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806743844 ZOALBDBRWJCCBC-UHFFFAOYSA-N 432.515 4.310 10 20 IICD C[C@@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(N(C)C)cc1 811906026 PEENRIGHIJZSLB-CQSZACIVSA-N 447.461 4.468 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4cccn4C)n3Cc3cccs3)CC2)cc1 812358157 NOBKQXJBGBVHNN-UHFFFAOYSA-N 448.596 4.119 10 20 IICD COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCO3)CC2)cc1 812443291 KNNFAMFOHIBWNX-JOCHJYFZSA-N 441.620 4.161 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(Cc2ccccc2Br)CC1 814105931 MNXRWSLSLWWMHF-UHFFFAOYSA-N 447.348 4.064 10 20 IICD O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857473492 ZCOMLVFGCUHGRI-QGZVFWFLSA-N 426.866 4.388 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C 914479778 FAUXMJVQULDRMY-UHFFFAOYSA-N 435.597 4.233 10 20 IICD Cc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccn1 914613744 JWGIRRQSNFXOQT-UHFFFAOYSA-N 428.286 4.047 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)c2C)cc1 915727913 GZQDBZSXYPBMPV-DEOSSOPVSA-N 431.536 4.196 10 20 IICD O=C(NCCc1ccc(N2CCCCC2)cc1)NCc1ccc(N2CCSCC2)cc1 918213785 RTNYHNATSYMMNH-UHFFFAOYSA-N 438.641 4.272 10 20 IICD Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)c1 919767248 KKSILMFHUBMQQP-UHFFFAOYSA-N 428.532 4.301 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C2CC4(CCC4)C2)C3)cc1 1845399518 HIZQVVPMWVLDMY-UHFFFAOYSA-N 431.580 4.491 10 20 IICD Cc1nc(COc2ccccc2C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)no1 12078349 WZXUTNYIBZHFTC-UHFFFAOYSA-N 445.475 4.404 10 20 IICD Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 16145645 OAGJLPKTMUAQHI-UHFFFAOYSA-N 425.554 4.214 10 20 IICD Cc1ccc(Nc2nnc(SCC(=O)NCc3ccc(N(C)C)cc3)s2)cc1C 18242978 TXIOQLTUUYYXHQ-UHFFFAOYSA-N 427.599 4.373 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1 97494631 VGLRPILNLWZHRN-LJQANCHMSA-N 442.629 4.418 10 20 IICD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C 471233198 BVGPGZBVGCPMBY-HXUWFJFHSA-N 439.943 4.070 10 20 IICD O=C(NCCCOC1CCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611930 YTGMLENYOZZJMI-UHFFFAOYSA-N 425.520 4.295 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nccs3)c2)cc1F 731409290 PGAOMULTCJTXEE-UHFFFAOYSA-N 426.517 4.050 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 734642532 NZKVFQXYQSWOMR-UHFFFAOYSA-N 436.478 4.238 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 735887771 VNKKFUPXUYMXSS-IBGZPJMESA-N 430.543 4.477 10 20 IICD COc1ccc(N2CCC(NC(=O)c3sc(C)c(Br)c3OC)CC2)cc1 742618935 NCRMKWZZYIBVRB-UHFFFAOYSA-N 439.375 4.235 10 20 IICD C[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)S1 742771596 BNEMVZWJCOTICL-GASCZTMLSA-N 444.578 4.112 10 20 IICD COc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)ccc1OCC(F)(F)F 743538960 VJCFWENXFOIFKI-UHFFFAOYSA-N 438.446 4.220 10 20 IICD CC(C)c1nc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 743581494 YPFDUSMTFHOPTO-HNNXBMFYSA-N 438.544 4.379 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 746036049 BYXLBCFWKJLBJU-UHFFFAOYSA-N 437.935 4.115 10 20 IICD CC(C)(C)c1cnc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1 746624561 BSKWMZIHTSSWHY-GXDHUFHOSA-N 449.623 4.331 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)Cc2nccs2)sc(C)c1-c1ccccc1 746672839 VNXINJNOXGBTTD-UHFFFAOYSA-N 429.567 4.427 10 20 IICD O=C(CCCNC(=O)OCc1ccccc1)Nc1c(-c2ccccn2)nc2ccccn12 751302004 HMNPXPHXVRLLLD-UHFFFAOYSA-N 429.480 4.041 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2cc(-c3ccccc3)oc2C1 752885293 COSSJOVFPJBCED-UHFFFAOYSA-N 449.526 4.315 10 20 IICD COc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(C(F)(F)F)c1 753874842 AKTHRKVHCZEDMI-UHFFFAOYSA-N 427.398 4.216 10 20 IICD C[C@H](NC(=O)c1cc(Br)cc2cccnc12)c1ccc(N2CCOCC2)cc1 758720210 CVJDGFZJEADGNG-HNNXBMFYSA-N 440.341 4.325 10 20 IICD CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccc2ncccc12 760637700 LKYQXXAWFJYBPK-UHFFFAOYSA-N 437.411 4.195 10 20 IICD CCn1c(-c2ccc(Br)cc2)cnc1SCCn1cc([N+](=O)[O-])ccc1=O 762194528 APTJPTIKHXWSEC-UHFFFAOYSA-N 449.330 4.195 10 20 IICD O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NCc1cccc(Br)c1O 764769712 PIRPIJOPIVZWNR-UHFFFAOYSA-N 446.276 4.481 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1Br 765247049 ZZWJWKKWQVQMBN-GDBMZVCRSA-N 434.353 4.141 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1O 765758460 XGTVFBAVBQRASI-UHFFFAOYSA-N 425.304 4.493 10 20 IICD CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 769121564 OTOXOBAVXKXXSD-IBGZPJMESA-N 432.565 4.322 10 20 IICD CC/C(=C\c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1)c1ccc(C)cc1 771081348 FVQSPRDSDMSVNJ-LVZFUZTISA-N 446.551 4.229 10 20 IICD COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 775139899 OBHCNNHCSMKDHF-UHFFFAOYSA-N 439.946 4.075 10 20 IICD COc1cc(-c2nc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cs2)ccc1O 775258568 DZTRRJJSZWSTNH-MRXNPFEDSA-N 425.554 4.212 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 776245545 HUBQYHXPTAVRDS-MHECFPHRSA-N 447.583 4.399 10 20 IICD COc1cc(Br)ccc1CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 782752932 CGNBYXZKSBZCGT-IBGZPJMESA-N 448.357 4.304 10 20 IICD CCCc1ccc([C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2cccs2)cc1 785439818 WESCQGUFPICAHG-QHCPKHFHSA-N 435.593 4.289 10 20 IICD O=C(NCC1(c2ccccc2)CCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 785690210 CKCXFMKDHLPPGU-UHFFFAOYSA-N 432.520 4.142 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786276627 IIQNGKVCXPLSCJ-UHFFFAOYSA-N 429.948 4.182 10 20 IICD Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 786822618 AEHYNPHKERZMKM-UHFFFAOYSA-N 440.935 4.417 10 20 IICD Cn1ccc2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c21 788310895 HVBFLSIZXGUCPO-UHFFFAOYSA-N 432.446 4.355 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 790787844 OTHBGWSPYMJJCB-ORBZYBPHSA-N 437.323 4.104 10 20 IICD Oc1nc(/C=C/c2ccc(N3CCOCC3)c(F)c2)nc2sc(Br)cc12 794943744 AADLIRRSADMELN-DUXPYHPUSA-N 436.306 4.306 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(=O)N(C)C)c3)cc2Cl)C1 799881535 OGSIKQNZZMFMMH-KRWDZBQOSA-N 442.991 4.278 10 20 IICD CCn1c(CCCc2cccs2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 802007504 LPVHDOPEACDZBM-UHFFFAOYSA-N 429.565 4.009 10 20 IICD COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)=O)c1OC 808483731 UWQYEXLSPZSKDH-DTQAZKPQSA-N 445.471 4.054 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCCn3c(C)cc(=O)cc3C)c2C)cc1 811353448 KSUWJSUWODCCQK-UHFFFAOYSA-N 434.536 4.387 10 20 IICD CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812039588 DUUULDOSLXTWRL-GOSISDBHSA-N 439.535 4.302 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ncc(C(F)(F)F)s1)c1ccc(N)cc1 812983956 NCSYYRWIEHCEJP-LBPRGKRZSA-N 434.443 4.477 10 20 IICD C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 857759055 YSLALRUJWDJPIL-VQTJNVASSA-N 437.584 4.146 10 20 IICD CCOc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)ccc1OC 916473486 GOVHTEBNCSGHFM-UHFFFAOYSA-N 446.415 4.030 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ncccc2c1 917846281 OIZUIRCUSHSTKG-UHFFFAOYSA-N 439.518 4.239 10 20 IICD Cc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 917996833 MVZTUEZSIYDGGA-UHFFFAOYSA-N 431.945 4.049 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 918308275 JMHRWSHIAMWQAN-UHFFFAOYSA-N 435.446 4.015 10 20 IICD Cc1ccc(C(=O)N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)cc1F 918330507 GFDCLQZODXMHSB-UHFFFAOYSA-N 425.529 4.201 10 20 IICD COc1cc(OC)c(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(OC)c1 918443470 BTFOAMZGDRCAQC-UHFFFAOYSA-N 448.479 4.383 10 20 IICD O=C(NCc1ccc(F)cc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 919786057 GAFBRVYBOCIJPM-QGZVFWFLSA-N 437.309 4.185 10 20 IICD Cc1csc([C@](O)(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C(F)(F)F)n1 920252083 IBENMLFCWKTYST-HXUWFJFHSA-N 441.519 4.240 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1F 1320941292 GKNPFOXVIITROI-UHFFFAOYSA-N 431.527 4.090 10 20 IICD Cc1cc(C(=O)N(CCC(N)=O)c2ccccc2)c(C)n1-c1ccccc1Br 1321498097 NDULLCGSEQJEGC-UHFFFAOYSA-N 440.341 4.379 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4cccs4)s3)cc2)C1 1337594115 DKUUSJLXJCIWKP-MRXNPFEDSA-N 425.579 4.108 10 20 IICD Cc1cccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429606 OJQBBMKCOMYWPL-UHFFFAOYSA-N 435.455 4.002 10 20 IICD Cc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 1800514391 VQGMCEXICPDLLG-QQFNCUIESA-N 448.592 4.425 10 20 IICD Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 29022781 OHEMEYZLGBLBFH-INIZCTEOSA-N 428.529 4.470 10 20 IICD OCC1CCN(c2ccc(CNCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)CC1 238176437 XFUHSCWKEJSHGW-UHFFFAOYSA-N 444.501 4.390 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cncn1-c1ccc(F)cc1 726565150 CUISKQOKHFSECZ-UHFFFAOYSA-N 430.430 4.012 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCC3=Cc4cc(Cl)cc(Cl)c4OC3)cc2)C1 726606676 KDKOVZTUNVWBAJ-KRWDZBQOSA-N 446.378 4.261 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCCO4)SC2=S)cc1 726626790 GAABJXXMLLZPCW-YBEGLDIGSA-N 446.937 4.006 10 20 IICD CCCNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1Cl 726697199 KOOUNMQSMMAEMM-UHFFFAOYSA-N 444.963 4.279 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnn(C)c2C(F)F)c(C)n1-c1ccc2c(c1)CCC2 727568159 PAPSLLDYIIRHJV-UHFFFAOYSA-N 427.451 4.294 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)CC3CCOCC3)CC2)cc1 732459363 PEUAHVSHGZMKTG-UHFFFAOYSA-N 437.584 4.302 10 20 IICD CC(C)(C)c1cccc(OCCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 733803784 ZQIMOZFWNYXWAR-UHFFFAOYSA-N 439.600 4.071 10 20 IICD COC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)c(OCC(F)(F)F)c1 734650157 OAIRWUJHLYFFOV-UHFFFAOYSA-N 439.434 4.110 10 20 IICD O=C(c1csc(COc2ccc(F)cc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735520195 XVDVILRSPNAJPY-LJQANCHMSA-N 442.512 4.388 10 20 IICD CCOc1ccc(N(CC)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 744391909 OSZMGTWZBKXDRE-UHFFFAOYSA-N 435.524 4.098 10 20 IICD O=C(NCc1ccccc1O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 748347146 XILVMDBGVGZXLX-UHFFFAOYSA-N 438.530 4.338 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1CCC(C)C 755415516 BVGFKVQHOKEOHX-UHFFFAOYSA-N 427.593 4.022 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(C)n1-c1ccccn1 755694081 MUXZBXDHTHGPRT-HXUWFJFHSA-N 442.519 4.270 10 20 IICD O=S1(=O)c2cccc3cccc(c23)N1CCN(Cc1ccco1)Cc1ccccc1O 756327738 QBMZDWWYDVKELB-UHFFFAOYSA-N 434.517 4.350 10 20 IICD C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 759579391 MMIDCVVEMXFJRN-KFEJWOFMSA-N 429.778 4.354 10 20 IICD C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 759595971 SNTGFVNPVRWIDX-KFEJWOFMSA-N 429.778 4.354 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(F)ccc3Br)SC2=S)cc1 761181770 QPJSNVCCDMQKAF-RIYZIHGNSA-N 437.315 4.093 10 20 IICD CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2 764357031 QFYNESZKFOUXPC-OXJNMPFZSA-N 428.602 4.322 10 20 IICD O=Cc1cccc(OCc2ccccc2C(=O)NCc2cccc(Br)c2O)c1 765736074 KSDMNDIUXSUWGF-UHFFFAOYSA-N 440.293 4.476 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775144636 WQAAHIANMGMFSV-FUDKSRODSA-N 449.599 4.044 10 20 IICD C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)c(Cl)c1O 775580254 IQIUALINCUFVCI-LLVKDONJSA-N 433.332 4.229 10 20 IICD C[C@H](NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 775728083 DQQVDYTXOOEVFJ-SFHVURJKSA-N 439.556 4.039 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)nc1-c1cccc2ccccc12 777696537 YMNALODYFSQCGY-INIZCTEOSA-N 440.550 4.230 10 20 IICD CC[C@H](C)n1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1C 778290657 WOZYRNAWHKVKOW-KKSFZXQISA-N 443.592 4.224 10 20 IICD C[C@@H](N[C@H](CCO)c1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 781923399 NPIFNYUURJVZDI-FOIQADDNSA-N 437.353 4.199 10 20 IICD CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 782424890 DLQOMFVUBWAYIY-UHFFFAOYSA-N 435.524 4.300 10 20 IICD O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(O)c(O)c1 783046722 DUZVVVAIGWQYHI-UHFFFAOYSA-N 447.237 4.072 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1 783330112 ZVVLLJUBOYYYNI-UHFFFAOYSA-N 446.551 4.102 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1 787064702 LSZOQHUYVRXWFR-OLZOCXBDSA-N 428.480 4.120 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3-n3cncn3)SC2=S)c1 794932745 BROIONOBRCXQEW-APSNUPSMSA-N 442.909 4.025 10 20 IICD Cc1ccc(CNC(=O)NCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 798337617 WGDFVKOULITELK-FQEVSTJZSA-N 431.536 4.290 10 20 IICD COc1cccc([C@H](O)CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 799994876 RBNRFFQVAGQUGU-OPAMFIHVSA-N 431.964 4.118 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc1 800229796 XUSUEEJITJWYAB-LJQANCHMSA-N 428.558 4.207 10 20 IICD C[C@@H](NC[C@H](O)c1cccc(Br)c1)c1cc(Br)c(F)cc1O 800497707 PZJJVAALJXSSCE-ABKXIKBNSA-N 433.115 4.441 10 20 IICD O=C(Nc1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 802500507 SDQJMRBQPRYKSK-HXUWFJFHSA-N 434.496 4.003 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C2CC2)cc1 806740833 XDTSODXCCLVNDC-UHFFFAOYSA-N 430.499 4.064 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 809193935 HIZFLXPLVWQOFS-BJKOFHAPSA-N 433.596 4.163 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 816634023 WBDFBNZLBZAGHX-IRXDYDNUSA-N 449.548 4.168 10 20 IICD Cc1nn(C)c2ncc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc12 818699508 YNOQHTZONKAQFU-UHFFFAOYSA-N 428.452 4.488 10 20 IICD O=C1CCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 843352522 LZBDKGBAYKWHCP-UHFFFAOYSA-N 425.941 4.493 10 20 IICD CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)cc1F 864006718 PLTKXBDEFAFIBD-UHFFFAOYSA-N 435.565 4.077 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F 914505771 QXMVYBRYHQMGRI-UHFFFAOYSA-N 437.443 4.322 10 20 IICD O=C(c1cc(I)ccc1O)N(Cc1ccco1)Cc1ccccc1O 917361543 PRDIHJCTEBUKJV-UHFFFAOYSA-N 449.244 4.138 10 20 IICD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(N2CCSCC2)cc1 917386604 GHHWRVHDGSMOJM-UHFFFAOYSA-N 443.572 4.024 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3csc(Br)c3)cc2F)C[C@H](C)O1 917711546 HEGBLYBYTYMXHE-RYUDHWBXSA-N 427.339 4.193 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3Cl)cc2F)C[C@@H](C)O1 917916720 APBSMRBGGKNCNU-BETUJISGSA-N 447.359 4.225 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 918111004 FDMXCLHPQIWLTB-VWLOTQADSA-N 429.564 4.190 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)COCc1ccccc1 919798637 FZMUGDIALFWXBM-SLFFLAALSA-N 443.563 4.091 10 20 IICD CN(C)c1ccc(CN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C2CC2)cc1 919918242 IQPFXDYGZQXVLO-UHFFFAOYSA-N 425.548 4.314 10 20 IICD C[C@@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 920920935 RROOXANJEUIVPT-NQIIRXRSSA-N 429.586 4.037 10 20 IICD CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCc1ccc(N(CC)CC)cc1 1251156487 VOVDXGXKIRHZBR-UHFFFAOYSA-N 427.574 4.365 10 20 IICD CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(N3CCCC3)cc2)CC1 1324924190 LXJXJWDDDKRQKI-UHFFFAOYSA-N 432.534 4.347 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)c2C)cc1 25551262 LUUCZTKLXHPLLY-UHFFFAOYSA-N 431.536 4.269 10 20 IICD COc1ccc(N2CCCN(CC(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1 97494608 BRQJUXUVBWVQQT-UHFFFAOYSA-N 429.564 4.437 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(-c2ccc(F)cc2)n1 726567581 MPGBACXJNTXIGL-UHFFFAOYSA-N 430.430 4.012 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)SC2=S)cc1 726628616 ZMEVHHJPAQYFTN-WUXMJOGZSA-N 425.354 4.015 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3ccccn3)n2)cc1 728839496 QJLWTRDUYUUATA-UHFFFAOYSA-N 434.487 4.405 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 731482932 QUOKFTNRCKTTLD-UHFFFAOYSA-N 445.629 4.224 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1cccc(Br)c1 732151143 JCUJMPCLAYYGBA-IBGZPJMESA-N 444.373 4.084 10 20 IICD CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1Cl 734535993 YEMQPKQZBIKYSU-AVRDEDQJSA-N 442.991 4.238 10 20 IICD Cc1cc(C(=O)CS[C@@H](C)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 737405057 DSFBVDPIMOAYFG-HNNXBMFYSA-N 434.608 4.480 10 20 IICD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 740801057 MSMPWSBXNGJXIX-UHFFFAOYSA-N 429.586 4.348 10 20 IICD COc1cc(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(OC)c1 742799645 MCUMPFSOWMROON-KRWDZBQOSA-N 434.483 4.023 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(CN2CCCC2)cc1 742802527 YQLHGBDURGEOMS-HXUWFJFHSA-N 429.511 4.283 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cs1 743046324 VFSBOQQTYYFLLX-UHFFFAOYSA-N 444.943 4.121 10 20 IICD CCn1c(SCC(=O)NCc2c(O)ccc3c2CCCC3)nnc1-c1ccccc1C 743719590 JSYAGMVVKMJZJG-UHFFFAOYSA-N 436.581 4.266 10 20 IICD COc1ccc(N(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC(C)C)cc1 744395021 OJNNAUBFCSCILS-UHFFFAOYSA-N 427.501 4.434 10 20 IICD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 751076385 GAVPMCQXBNXVKX-PZJWPPBQSA-N 425.573 4.159 10 20 IICD O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)ccc2[nH]1 751127665 SAVAGAKEYRJMDV-UHFFFAOYSA-N 449.460 4.054 10 20 IICD COc1ccc(NC(=O)[C@H](OC(=O)c2csc(Cc3ccc(N)cc3)n2)C(C)C)cc1 751945950 SHXIHJMAIJAFGQ-OAQYLSRUSA-N 439.537 4.145 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)cc1 754154385 NMPOHARRSBLBLT-OOWIMERYSA-N 436.625 4.235 10 20 IICD CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NC(C)(C)CC(N)=O)cc1 754796116 CKHWXTFLNSMHOO-OBGWFSINSA-N 442.563 4.171 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cn(C)nc3C(F)F)c2C)cc1 754989208 MAKBDRVQLVXWNW-UHFFFAOYSA-N 431.439 4.204 10 20 IICD C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(Br)cc1O 756480345 VGEARRCTFVHPKK-OAGGEKHMSA-N 447.373 4.255 10 20 IICD CCc1ccc(-c2noc([C@@H](C)NC(=O)N3CCCN(c4ccc(OC)cc4)CC3)n2)cc1 760894068 XZUSEUMAVRBWJL-GOSISDBHSA-N 449.555 4.291 10 20 IICD C[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O 761093733 DAKIJRZRNTVDQJ-MRXNPFEDSA-N 447.457 4.067 10 20 IICD CCN(C(=O)Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)c1ccccc1 761630562 RVTUNXBPZNZYTQ-UHFFFAOYSA-N 433.508 4.058 10 20 IICD COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)o2)cc1 764410850 BUVMZDFYHRWYSI-LICLKQGHSA-N 426.475 4.123 10 20 IICD Cc1sc(Br)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 764460516 MGVSLZBSOFXUJE-INIZCTEOSA-N 438.391 4.101 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3csc(C(C)(C)C)n3)cc2F)C[C@@H](C)O1 765658968 MMBIJDAOLULZNW-IYBDPMFKSA-N 448.608 4.235 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCSc4ccc(Cl)cc43)cc2)CC1 765978058 CCVJXBWFGNZOMH-HXUWFJFHSA-N 437.030 4.292 10 20 IICD COc1cc(CN2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)cc(OC)c1OC 769512320 BVWWQIVOZPCFPW-UHFFFAOYSA-N 441.355 4.043 10 20 IICD COc1ccc([C@@H](C)N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 769654827 ZWHLYTZMQAPNIP-CQSZACIVSA-N 446.550 4.096 10 20 IICD COc1ccc(Br)c(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1 769698058 JDXNTFBVNZSKAP-UHFFFAOYSA-N 437.297 4.349 10 20 IICD C[C@@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccc(N2CCOCC2)cc1 775258694 JDNFKWLCJCOMMW-CYBMUJFWSA-N 449.374 4.248 10 20 IICD Cc1cc(C)cc(-c2nnc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)s2)c1 775855347 BEIRLLMIERMAOV-UHFFFAOYSA-N 437.569 4.322 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1Cl 776405794 SDGFSFGUUVMMAE-LBPRGKRZSA-N 429.369 4.344 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3NCc3ccccc3)c2)CC1 781268024 DBEOYSJNBYOQON-UHFFFAOYSA-N 428.536 4.220 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(Br)ccc1O 783646737 CTKKOTCZPDEBOX-SNVBAGLBSA-N 428.124 4.207 10 20 IICD O=C(NCCc1cccc(OCC(F)(F)F)c1)NCc1cccc(Br)c1O 793308821 LBOFVZACPGGXDJ-UHFFFAOYSA-N 447.251 4.138 10 20 IICD CN(C)c1ccc([C@H](CNCc2cnc(C(C)(C)C)nc2)NC(=O)OC(C)(C)C)cc1 793587904 XXJHBHFGMPFJKT-FQEVSTJZSA-N 427.593 4.196 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)Cc3ccsc3)cc2Cl)C1 793804578 XMNJUJOADZGTID-HOTGVXAUSA-N 434.005 4.001 10 20 IICD C=CC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 800047457 LWJPYSNFIAKPQH-KRWDZBQOSA-N 425.960 4.309 10 20 IICD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 800600627 NTQKFJKJRIBWRT-UHFFFAOYSA-N 442.491 4.066 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cccn2c(I)cnc12 801546200 JMOMYSDIFOXGLT-UHFFFAOYSA-N 449.292 4.087 10 20 IICD CCCCN(Cc1nc(N)c2c(C)c(C(=O)OCC)sc2n1)Cc1ccccc1O 801598024 SNSCRRDXRDFPOT-UHFFFAOYSA-N 428.558 4.267 10 20 IICD Cc1ccccc1C(NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1C 803659298 PDHIIJBNQSQIGR-UHFFFAOYSA-N 433.527 4.031 10 20 IICD Cc1c(OCC(F)(F)F)cccc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 804229560 MWJZOGARGMMFOE-UHFFFAOYSA-N 428.794 4.264 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 807094235 TZHBDDPUOIWICY-QFIPXVFZSA-N 435.593 4.181 10 20 IICD Cc1cc(C(=O)N[C@H]2CCc3nc(N)sc3C2)c(C)n1-c1cccc(Br)c1 808061204 HWPROVOVXPVNRD-AWEZNQCLSA-N 445.386 4.183 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 808356452 ZLNCYWQEHNYDLT-FQEVSTJZSA-N 444.579 4.431 10 20 IICD CC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1c1cccnc1 813662511 YJPWYARZXWRFIH-PXNSSMCTSA-N 430.499 4.445 10 20 IICD CCN1CCN(c2ccc(CNCc3ccc(Sc4ccccn4)o3)cc2F)CC1 814291404 LBHBSMQYMGJDAB-UHFFFAOYSA-N 426.561 4.397 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814980422 MTBUCHHAQUOBOS-UHFFFAOYSA-N 441.912 4.198 10 20 IICD CCCC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 916514132 YXHQEZBYUUUVAL-NRFANRHFSA-N 425.529 4.022 10 20 IICD Cc1oc2c(CN3CCC(NC(=O)C(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 917448623 FKXVYWAXYVOTCZ-UHFFFAOYSA-N 434.536 4.211 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918141738 ZZLGQFYARBEZMG-CALCHBBNSA-N 436.531 4.172 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 920188357 LYHURCGUJCSCII-UHFFFAOYSA-N 434.540 4.402 10 20 IICD C[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(N2CCOCC2)cc1 920921379 ZKBBYSQJHLBDRW-UYAOXDASSA-N 434.540 4.315 10 20 IICD COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1Br 921237324 BKPXNQZWOVPOCG-IBGZPJMESA-N 447.373 4.345 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1116954308 SMFGMHHLSHRXIV-REWPJTCUSA-N 435.572 4.004 10 20 IICD Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775849 VQDZXSCQQCRJLX-UHFFFAOYSA-N 439.899 4.449 10 20 IICD CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1795458355 SCGKLTYZQUGMBY-FCGDIQPGSA-N 442.943 4.197 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1nc(-c2ccc(F)cc2)cs1 96971006 SACVJJVOBXZBDL-LJQANCHMSA-N 441.528 4.275 10 20 IICD COc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 108091141 KJOVMJHKTFENTP-MRXNPFEDSA-N 437.462 4.133 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cc(F)ccc3Br)CC2)cc1 726609542 BQFKQEQYXZCYEE-UHFFFAOYSA-N 436.325 4.065 10 20 IICD CN(C)c1ccc(CN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)C2CC2)cc1 728208660 MGUCBIJXRVDDBS-UHFFFAOYSA-N 444.579 4.414 10 20 IICD O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)Nc1ccc(N=Nc2ccccc2)cc1 728388324 PCMYIUKRPLECRY-LJQANCHMSA-N 434.452 4.392 10 20 IICD CN(C)CCCOc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 728752337 MZQZVMNMNINLGQ-UHFFFAOYSA-N 438.616 4.349 10 20 IICD CC(C)(C)n1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c(-c2ccccc2Cl)n1 731156867 OBKHHHMVEJBXNM-SFQUDFHCSA-N 430.961 4.261 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1F 731404470 DFBOJIWMYDFJDC-HXUWFJFHSA-N 440.523 4.313 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)cc2)CC1 732222331 PCUITCVWWFTRPU-UHFFFAOYSA-N 442.503 4.441 10 20 IICD O=C1[C@H](NCc2cccc(Br)c2O)CCN1c1ccc(C(F)(F)F)cc1 733800443 RFNRFOWWWGKEGI-OAHLLOKOSA-N 429.236 4.069 10 20 IICD O=[S@@](CCN(Cc1ccccc1O)C[C@@H]1CCCO1)c1cc(Cl)ccc1Cl 735492526 IKQRLWGYWLHQSZ-SOKVYYICSA-N 428.381 4.488 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cc1 735883559 KSZRWRWASQGWHG-UHFFFAOYSA-N 444.601 4.028 10 20 IICD CC(C)Cn1ccc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21 737110561 FPXWCUKQAWZELI-JOCHJYFZSA-N 449.551 4.149 10 20 IICD CN(C)c1ccc(CN(C(=O)CCSCc2nc(O)c3ccccc3n2)C2CC2)cc1 739691754 YHDPCHXVSBDSHE-UHFFFAOYSA-N 436.581 4.216 10 20 IICD COc1ccc(N(CCCOc2ccc(S(C)(=O)=O)cc2)Cc2ccco2)cc1F 739925815 AODMMBSCCOGGPD-UHFFFAOYSA-N 433.501 4.307 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1F 740052686 TXWRCVQXABLDMZ-UHFFFAOYSA-N 436.572 4.307 10 20 IICD COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(N3CCOCC3)cc2)c1 741729686 CIAQSWBNZJMACD-SANMLTNESA-N 445.563 4.344 10 20 IICD COc1cc(N(C)Cc2nc(-c3cccc(Br)c3)no2)cc(OC)c1OC 741795718 MZUXJRPJFMHIOH-UHFFFAOYSA-N 434.290 4.161 10 20 IICD CCCCCC[C@H](C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 741910250 PRWUGUZNUZJMMB-IBGZPJMESA-N 427.568 4.165 10 20 IICD C[C@@H](Sc1nnc(C2CC2)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746394706 PSGQQUANKJPKPU-LLVKDONJSA-N 435.530 4.310 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)n1 748091813 LBTIXELHPYOTNV-UHFFFAOYSA-N 437.930 4.231 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 749464425 WTESEAVATYNLRD-INIZCTEOSA-N 440.535 4.066 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 752659010 HHFCKUVKNOQWEM-UHFFFAOYSA-N 434.506 4.432 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4nccc(C)n4)cc3)CC2)cc1 753900574 BXNDULQDJTZXPK-UHFFFAOYSA-N 433.512 4.376 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC2)cc1 753949626 DWTFSZTWNWRIII-UHFFFAOYSA-N 442.357 4.220 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 755286611 ZPJGTJSUWSCJHT-HNNXBMFYSA-N 429.517 4.351 10 20 IICD C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)c(F)cc1O 756420396 DXESFOSFFSBTQL-LBPRGKRZSA-N 427.289 4.120 10 20 IICD COc1ccc(C(=O)N2CCC(N[C@@H](C)c3cc4c(cc3O)CCCC4)CC2)cc1OC 756734036 SOHCLIQLOPAYEJ-KRWDZBQOSA-N 438.568 4.244 10 20 IICD COc1ccc(C[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 758960791 BSLNYGHOIVFDKI-QGZVFWFLSA-N 447.526 4.443 10 20 IICD Cc1cc(C(=O)CN2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 759875050 MDUBXTBINKPJSS-HOLBHBGLSA-N 426.504 4.139 10 20 IICD C[C@H](Cc1ccccc1Br)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 760195481 SYIQUWSQBAZIQI-VQIMIIECSA-N 447.373 4.477 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cccc(Br)c1I 761229067 AGTSVVIMAGLRKK-UHFFFAOYSA-N 446.082 4.032 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(C(F)(F)F)nc1)c2[N+](=O)[O-] 761916578 QEIVTQDWBHQBQL-UHFFFAOYSA-N 441.321 4.036 10 20 IICD COC(=O)c1cc(NC(=O)NCCCSc2nccs2)cc(Br)c1F 763902747 QYJBGCHEOTZKEP-UHFFFAOYSA-N 448.339 4.135 10 20 IICD COc1ccc(NC(=O)C[C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 765642457 BUDALTBVGIKGQJ-INIZCTEOSA-N 433.499 4.272 10 20 IICD O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccc(O)c(O)c1 768407329 PJLUGSBYSGWUKK-UHFFFAOYSA-N 425.441 4.112 10 20 IICD COc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC(F)F 768915393 KSJFOAJIUGWTGB-MRXNPFEDSA-N 440.874 4.050 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccn(-c2ncccc2C(F)(F)F)n1 769002728 XDEUGTYGMQNIBP-UHFFFAOYSA-N 431.418 4.192 10 20 IICD C[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)Cc2ccccc21 769616087 TYWMDTZJABGDJH-AWEZNQCLSA-N 428.535 4.014 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 770254525 KENVXNAYLVZMNQ-UHFFFAOYSA-N 441.535 4.079 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3OCc3c(C)noc3C)c2)CC1 770286918 SQVXUTWQBQFLSB-UHFFFAOYSA-N 434.540 4.265 10 20 IICD C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCCCSc1nccs1 774914928 XYBRCQHXSPPJJY-INIZCTEOSA-N 427.599 4.094 10 20 IICD C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1cccc(Br)c1O 775146193 MHAWURRDIKCBFY-ZDUSSCGKSA-N 446.345 4.010 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc1-c1ccccc1 775209142 TULVBHYSWJOSDD-UHFFFAOYSA-N 446.510 4.094 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NCc1ccc(N(C)C)cc1 780691198 GYDFVFSPYJYUFE-UHFFFAOYSA-N 426.561 4.088 10 20 IICD Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)c3ccc(OCc4ccccc4)cc3)n21 781962942 FGXVQTMCYYJALB-UHFFFAOYSA-N 439.519 4.105 10 20 IICD Cc1cccc(Cn2nccc2NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782895982 IPWMFGDNANMYSC-UHFFFAOYSA-N 446.551 4.245 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(N[C@@H](C)C(C)C)c3C)cc2)CC1 787323702 YSJYHBPIKNZJEW-FQEVSTJZSA-N 436.600 4.050 10 20 IICD CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 788243181 FMEPLSZPNUDDBH-XZOQPEGZSA-N 431.621 4.211 10 20 IICD CC(=O)Nc1ccc(CN[C@H](C)c2cc(Br)cc(Br)c2O)cn1 788607101 UPBHMQPCSQKCHA-SECBINFHSA-N 443.139 4.121 10 20 IICD COc1ccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)c(O)c1 794382672 FMGAZNUMBTYASX-UHFFFAOYSA-N 429.270 4.281 10 20 IICD Cc1c(NCc2ccc(OCc3ccccc3)cc2O)cccc1N1C(=O)CCNC1=O 800535391 BBMCUQIJMIZKAY-UHFFFAOYSA-N 431.492 4.338 10 20 IICD O=[N+]([O-])c1cc(CNC[C@@H](O)c2cccc(Br)c2)ccc1N1CCCCC1 801734469 CCKADZFBBJXWAQ-HXUWFJFHSA-N 434.334 4.171 10 20 IICD C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C 805370464 NCWKVJWKBMUPOT-BXUZGUMPSA-N 432.348 4.286 10 20 IICD CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1 854294115 UXYZLUFXCPYWFO-UHFFFAOYSA-N 446.463 4.305 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c([N+](=O)[O-])c1 916110359 GNALMQDSYYLKLO-UHFFFAOYSA-N 446.875 4.142 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 918106481 PGTUKCMQVARMIE-UHFFFAOYSA-N 431.540 4.180 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3OC(F)F)cc2F)C[C@@H](C)O1 918200178 YZTMPWMGVKGUET-HUUCEWRRSA-N 437.462 4.040 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1ccccc1Cl 918220898 LRFHSPMUPPMEAO-NRFANRHFSA-N 431.939 4.487 10 20 IICD Cc1cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1-c1ccc(Br)cc1 918617961 CHZNIMFUZFGJCC-IBGZPJMESA-N 443.345 4.484 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3SC(F)(F)F)cc2F)C[C@H](C)O1 920281675 BZHYZWZFVOOJRM-STQMWFEESA-N 443.466 4.376 10 20 IICD COCCOC(=O)Nc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 920411309 RITJOHGYVVFKDY-UHFFFAOYSA-N 428.489 4.392 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCCN4C)cc2F)C[C@@H](C)O1 920784096 UWVQCEAZWNOMNB-IAGOWNOFSA-N 426.536 4.143 10 20 IICD COc1ccc(CN(Cc2c(O)ccc3ccccc23)C2CCCC2)cc1OCC(N)=O 1254011221 XRNBSZSWAOSMNX-UHFFFAOYSA-N 434.536 4.363 10 20 IICD CCC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)CCC1 1781753222 GLTWOTAIGCMUOY-MHZLTWQESA-N 449.595 4.118 10 20 IICD Cc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)cs1 1800513319 FSLGVPXDDYWHOR-QQFNCUIESA-N 448.592 4.425 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 10907390 YVHPLUDWZTYUAC-UHFFFAOYSA-N 446.507 4.447 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NC(=O)Nc1ccccc1 21729091 UNPYODAVQQXWJP-LJQANCHMSA-N 436.537 4.170 10 20 IICD O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ccc(N=Nc2ccccc2)cc1 254371863 GFMYJOXZGPNASF-UHFFFAOYSA-N 434.427 4.153 10 20 IICD CSc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 303827141 KYHYHAJVLVKSKM-AVRDEDQJSA-N 428.598 4.450 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)n(C)c2ccccc12 472777273 KZQLIMIWYJHYCX-UHFFFAOYSA-N 434.721 4.158 10 20 IICD O=C(CCc1cccc(OC2CCCC2)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 727850973 DXGFBEGPHOAISE-UHFFFAOYSA-N 440.559 4.357 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 728699384 SUSOXMAIKBCESX-IDKBZEPQSA-N 430.304 4.020 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc(Cl)nc1 731079647 MMURSGKQSQYVMT-UHFFFAOYSA-N 436.765 4.483 10 20 IICD O=C(NCc1ccc(F)cc1)c1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 731845801 KNHOVHBUCUAGBE-UHFFFAOYSA-N 440.544 4.258 10 20 IICD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 732232744 IEDXYOBZVRJGDI-CQSZACIVSA-N 439.299 4.393 10 20 IICD COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)n1 732718233 RLIFIQWAHKMKRC-UHFFFAOYSA-N 440.809 4.027 10 20 IICD Cc1cc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c(C)n1-c1ccccn1 734469675 PFFMUQDSBIZKRO-HKBQPEDESA-N 437.565 4.169 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCCCC[C@@H]3c3ccco3)CC2)cc1 737030865 VXPYLXMKXOPAQZ-HSZRJFAPSA-N 440.588 4.127 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)c1O 737285580 IYRKQDJCDIDHAA-UHFFFAOYSA-N 436.533 4.424 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)ccc1OC 740605526 PVPROQTYHBVGRY-UHFFFAOYSA-N 446.550 4.331 10 20 IICD C[C@@H]1CCC[C@H](OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 742754193 NNLXOQYNVNZSLL-JRGCBEDISA-N 433.593 4.030 10 20 IICD O=C1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CN1Cc1ccccc1Cl 743429461 PHDGJMJPZUBISD-LJQANCHMSA-N 438.911 4.216 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccccc2F)c1C 743809150 MEWZFRUPDKUIKY-UHFFFAOYSA-N 432.293 4.450 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCOc2ccc(F)cc21 745811930 HWTWONASWJROEW-HNAYVOBHSA-N 435.446 4.219 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)c1ccc(C)o1 746952243 OYMIXIYBPKZLMN-TZIWHRDSSA-N 440.588 4.363 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 748715716 YPYBLMPHMWPWMZ-VQTJNVASSA-N 431.399 4.422 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2)cc1 749729937 FVZIHNXHRHRYQH-UHFFFAOYSA-N 427.551 4.481 10 20 IICD CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c1O 750823223 OMWVWLPXICFTEM-UHFFFAOYSA-N 449.320 4.347 10 20 IICD C[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 756049302 JCTKCZAGBOKOBE-QGZVFWFLSA-N 425.614 4.059 10 20 IICD C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 757624856 ZDUXPRKXNJNFRF-GUXCAODWSA-N 425.495 4.405 10 20 IICD CN(Cc1cc(Cl)cn1C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 757669464 GZGIZNMKVOZKLF-UHFFFAOYSA-N 426.895 4.090 10 20 IICD COc1cc(N2CCN(C(=O)C[C@@H](C)Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC 759243452 XZMQHWIMAUIZQS-KRWDZBQOSA-N 446.975 4.283 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 766496846 TVXAOWOYTHEGNP-UHFFFAOYSA-N 442.478 4.076 10 20 IICD COC(=O)CN(CCCC(=O)Nc1c(C)cc(C)cc1C)Cc1cc(Cl)ccc1O 766885457 PLFXPXIBDJDBQE-UHFFFAOYSA-N 432.948 4.365 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1C2CC3CC(C2)CC1C3 769689790 NREJAALBVBUODT-UHFFFAOYSA-N 446.594 4.151 10 20 IICD CCCc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n(C)n1 772534794 KRQHRPLUDIJHOD-NTCAYCPXSA-N 434.612 4.054 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(N(C)C)cc1 773630482 UHVXELKYVHJANH-OAHLLOKOSA-N 449.382 4.288 10 20 IICD COc1ccc(N2CCC(NC(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC2)cc1 779899460 LHULPOCINCPCCD-UHFFFAOYSA-N 429.492 4.496 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CC[C@H](O)C(C)(C)C2)sc(C)c1-c1ccccc1 782578107 FZNDPXLMVDAWAP-SFHVURJKSA-N 444.597 4.322 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 786841582 RSJLRMNJMJYCLV-MRXNPFEDSA-N 440.993 4.031 10 20 IICD C[C@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3noc4ccccc34)cc2Cl)C1 800148780 RYEQUYGACIJLTE-HNNXBMFYSA-N 433.961 4.337 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N(CCCO)Cc3ccccn3)cc2Cl)C1 800721284 ZCTJSBLGZLFOIP-GOSISDBHSA-N 430.980 4.066 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3cc(F)c(N4CCOCC4)cc3F)cc2)CC1 806743654 UPLRFRQIHWRYQU-UHFFFAOYSA-N 444.526 4.359 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 808273778 GNFRYKNZKHVHJB-NRFANRHFSA-N 447.457 4.245 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cn4cncn4)cc3)c2C)cc1 833962693 DQTUPCGXEDPXJB-UHFFFAOYSA-N 428.492 4.082 10 20 IICD CCOc1ccc([C@H](C)NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC 917192953 DKOPYPJQWQSNLP-INIZCTEOSA-N 425.554 4.464 10 20 IICD Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380623 HVYNZSCHKGFJCJ-UHFFFAOYSA-N 442.865 4.199 10 20 IICD Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c12 917715901 YKKBECKZAQGVMS-GASCZTMLSA-N 440.519 4.337 10 20 IICD O=C(NCCSc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918192758 OREBRYLFUXHWCW-UHFFFAOYSA-N 437.968 4.032 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(N4CCOC4=O)c3)c2C)c1 919197561 FZRMDVREFUKTRU-UHFFFAOYSA-N 432.476 4.399 10 20 IICD Fc1cc(CNCc2ccccc2C(F)(F)F)ccc1N1CCN(c2ncccn2)CC1 920180129 KQECRSDHHUDWBL-UHFFFAOYSA-N 445.464 4.251 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncoc3[C@@H]3CCCO3)c2C)cc1 1318544079 JXYODFYFTBZZHP-NRFANRHFSA-N 438.480 4.372 10 20 IICD CO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157357 HGYIWSHOVLDQFP-GCJKJVERSA-N 449.555 4.158 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccco2)C3)cc1 1845398067 VYVDPGLKOXELEQ-OUKQBFOZSA-N 429.520 4.218 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1F 303358824 PMIOVRRQBJIZIT-UHFFFAOYSA-N 441.551 4.168 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)ccc21 439756479 CTAIEYQXRRLGTB-FQEVSTJZSA-N 434.584 4.255 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCc1cccs1 727861510 VYCRWZOTSFVQQU-QGOAFFKASA-N 434.583 4.168 10 20 IICD CCOc1ccc(CN(CC(=O)NC2CCOCC2)c2ccc(OC)c(Cl)c2)cc1 728052394 DKFZKVGICUMVPY-UHFFFAOYSA-N 432.948 4.049 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 729039053 HLNWPNCNUMJBLS-MRXNPFEDSA-N 431.492 4.486 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1 729535173 LVNILZZROBDLQN-AWEZNQCLSA-N 446.550 4.063 10 20 IICD C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)N1CC(=O)Nc2ccccc21 729586883 LEWDSWPXDMRGEA-HNNXBMFYSA-N 444.447 4.338 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1)CC1CCOCC1)c1ccc(N2CCOCC2)cc1 732455318 DLRWRSMYRFWRNK-OAQYLSRUSA-N 437.584 4.223 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c(C)c1 732910740 JHSAJISJRVOCAR-UHFFFAOYSA-N 426.523 4.114 10 20 IICD COC(=O)CCc1nc(COC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)no1 733410805 XXVWKPOLPKNYCW-UHFFFAOYSA-N 425.485 4.063 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)n2)cc1 743047085 XDZIEMGKLGYSCB-UHFFFAOYSA-N 444.513 4.334 10 20 IICD COc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1-n1nnnc1C 743137237 JBSPCMJRDPFXQF-UHFFFAOYSA-N 436.516 4.052 10 20 IICD O=C(Nc1nc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cs1)c1ccccc1 743427972 GXMSNHSREMAKLR-UHFFFAOYSA-N 447.516 4.466 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 743815348 FOCTTZJKDNXOTG-UHFFFAOYSA-N 448.361 4.481 10 20 IICD Cc1cc(CC(=O)N2CCC(OCCN3CCCC3)CC2)c(C)n1-c1ccc(Cl)cc1 744759793 OHJXLTPCDSMFNH-UHFFFAOYSA-N 444.019 4.393 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3C(F)(F)F)cc2F)C[C@@H](C)O1 746220240 JUSROMUFMVHKJO-HUUCEWRRSA-N 439.453 4.458 10 20 IICD Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(-c2nc(C3CC3)no2)c1 746745924 OHOVVXKGKBVCNW-UHFFFAOYSA-N 447.539 4.423 10 20 IICD COc1ccc(Br)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 750314236 UZCBUDGTRYTJBJ-UHFFFAOYSA-N 436.375 4.333 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(I)cc1 751307326 IYUXLZULBIIKBF-UHFFFAOYSA-N 440.244 4.253 10 20 IICD O=C(c1[nH]c2ccccc2c1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 752149408 LUTKILXMZYTBLE-OAHLLOKOSA-N 429.314 4.457 10 20 IICD CCN1CCN(Cc2ccc(CN[C@H](C)c3cc(Br)ccc3O)cc2)CC1 756435187 XRJFVSXJHOUYHZ-QGZVFWFLSA-N 432.406 4.143 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C2CCC2)o1 756447622 XCAYUHIKKZYKNO-DEOSSOPVSA-N 435.547 4.475 10 20 IICD C[C@@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)cc(F)c1O 756675896 HOKGNPRGTIBJIO-MWLCHTKSSA-N 429.236 4.028 10 20 IICD Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(O[C@@H]2CCOC2)c1 758900682 NMJXVUMBVRUEBQ-XMMPIXPASA-N 437.584 4.495 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(N4CCCC4=O)cc3)cc2F)C[C@@H](C)O1 765125422 DQUYTUSFNWXIFY-GUDVDZBRSA-N 425.548 4.417 10 20 IICD Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1Br 767877528 GCJMFQLJFHNCHE-OQLLNIDSSA-N 433.352 4.262 10 20 IICD O=C(Cc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1)N1CCc2ccccc21 770549095 DYXKPPCTEDIUEZ-UHFFFAOYSA-N 445.538 4.406 10 20 IICD C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 771765431 OLMHDWNMNZKZFJ-ZDUSSCGKSA-N 438.406 4.333 10 20 IICD CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 772797967 KJDWEYUNBLISLJ-SFHVURJKSA-N 435.524 4.154 10 20 IICD COc1cccc(OC)c1OC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 773616447 KRKPEQZYLPXBMT-KRWDZBQOSA-N 427.545 4.084 10 20 IICD Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 781465945 GXGVCJOYOMQOJL-IRXDYDNUSA-N 437.519 4.255 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2)n1 783317600 XCQQBUIAACJZIE-UHFFFAOYSA-N 447.539 4.019 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 784023601 FDWGYKNPNLMOOW-UHFFFAOYSA-N 442.519 4.393 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)C[C@H]3C)c2C)c1 785994427 XHCKZSGTXHJUSK-LJQANCHMSA-N 441.641 4.184 10 20 IICD CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)sc2C1 789553227 KTMSJNLWNCTOOG-HNNXBMFYSA-N 441.597 4.133 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cnc(-c2ccc(Cl)cc2)s1 790691515 RCSYFZAMFOWULD-UHFFFAOYSA-N 442.972 4.300 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccccc1Br 791250935 VBRSIJDVUBCHET-UHFFFAOYSA-N 447.373 4.380 10 20 IICD CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cc(Cl)cc(C(C)=O)c2O)cn1 792378140 OHGRNWHLWQXPTP-QFIPXVFZSA-N 427.932 4.200 10 20 IICD COc1cc(N2CCN(C(=O)C[C@@H]3C[C@H](C)c4c(C)cccc43)CC2)cc(OC)c1OC 792607822 BVDHLRNKGSRCID-OALUTQOASA-N 438.568 4.351 10 20 IICD COc1cccc2c1CCC[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 799714644 AHTWTFLQGGDRKJ-HSZRJFAPSA-N 447.558 4.118 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 801549851 DEOGDKZAPNEOBU-QFIPXVFZSA-N 438.568 4.229 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 801917387 BJJQKAHBXANOEF-FQEVSTJZSA-N 429.572 4.175 10 20 IICD Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)c1 812431258 DACDJSYUXGYRLX-NRFANRHFSA-N 436.556 4.385 10 20 IICD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N1CCCCCC1 864672607 BUXKABCUHMBJGS-PTNGSMBKSA-N 439.400 4.053 10 20 IICD COCCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CCCC1 914516605 QLYMGWWJMWGZRG-SAPNQHFASA-N 438.640 4.147 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Cl)c2ncccc12 916677375 LQGHTZJJHKAAFD-UHFFFAOYSA-N 428.895 4.310 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)cc3Br)cc2F)C[C@@H](C)O1 917715194 ZHVGPQSASANEAU-CHWSQXEVSA-N 439.300 4.271 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(Cl)cccc4s3)cc2)C1 917832887 JESCYZQUVIPLHE-HNNXBMFYSA-N 427.957 4.186 10 20 IICD COc1cc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC(C)C 918212562 KBWIPIMZNZEOTK-KRWDZBQOSA-N 445.535 4.019 10 20 IICD Cc1cc([C@@H]2CCCN2C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)on1 918583871 ZZCKXGVIYARTJD-YSKWHIJTSA-N 447.607 4.390 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)c2C)cc1 919322170 KJGMVYFJWWIACK-UHFFFAOYSA-N 445.523 4.183 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 1319766845 HQWNYCOBUVSIST-AZUAARDMSA-N 427.976 4.132 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1C1CC1 1800719230 CCQKYSAASBQHEK-BJWYYQGGSA-N 440.927 4.194 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1F 303358629 PJXNTSYRIMIAML-UHFFFAOYSA-N 434.943 4.462 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Sc4nncn4C)cc3)ccc21 484760317 SIZUVVPZAOPREM-UHFFFAOYSA-N 435.553 4.437 10 20 IICD CCOc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCC(=O)Nc1ccccc1 725853933 ZACSKQVTNZEGAR-UHFFFAOYSA-N 432.520 4.328 10 20 IICD O=C(COc1ccc(F)cc1Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565460 OMPIWXSBJWBIDD-UHFFFAOYSA-N 428.838 4.245 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccccn2)SC1=S 727176768 ONWQJDXSLBCXNI-MOSHPQCFSA-N 441.622 4.450 10 20 IICD Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1-c1c(Cl)cccc1Cl 728267398 JKQVCQBPZPBNIK-UHFFFAOYSA-N 430.339 4.413 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(=O)N(C)C)cc3)c2C)cc1F 728352627 HALKUJQOKQXNFF-UHFFFAOYSA-N 436.483 4.283 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc21 728637165 INDSEWZGPBAUMK-OAHLLOKOSA-N 430.451 4.367 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 729352598 SFEXGVZPGKXTMN-DEOSSOPVSA-N 437.584 4.056 10 20 IICD Cc1cc(C(=O)N2CCC(c3nnc(S)n3C)CC2)c(C)n1-c1ccc(Cl)cc1 731636024 VBCXKUSHTILLOM-UHFFFAOYSA-N 429.977 4.185 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 731756306 HTIWIWXNRRFYDB-RUZDIDTESA-N 442.563 4.336 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)cc1 733216642 LYZUCUITBYFGEY-UHFFFAOYSA-N 437.765 4.393 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccnc(Sc4ccccn4)c3)CC2)cc1 733844928 HFDCWFBLZAFAEL-UHFFFAOYSA-N 435.553 4.427 10 20 IICD CC(C)n1ncc2cc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cnc21 743098351 PAKYTKSKAMPWEV-MRXNPFEDSA-N 444.486 4.404 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746309871 JWOAPPHGPNGAKI-GOTSBHOMSA-N 443.588 4.177 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c(C)n1-c1ccccc1Br 746622912 AWZLJENUMJTBAV-KRWDZBQOSA-N 441.373 4.295 10 20 IICD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 747762013 QOUISQPBZSJGJY-YLJYHZDGSA-N 425.573 4.260 10 20 IICD O=C(NCc1ccc(Oc2ccccc2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 749419798 CZUBCDIBFKFRIW-QFIPXVFZSA-N 433.508 4.470 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3csc4ccc(Cl)cc34)cc2)C1 751663155 AOFORZIJMOVOHS-INIZCTEOSA-N 441.984 4.115 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccccc3-c3nncn3C(C)C)CC2)cc1F 753892751 DUAYAKONSQWVTL-UHFFFAOYSA-N 438.507 4.028 10 20 IICD CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1 756434643 XKERFAYXBKSYNZ-OXQOHEQNSA-N 427.501 4.104 10 20 IICD C[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)cc(F)c1O 756649744 ISJAYXGGQCEMRF-YOEHRIQHSA-N 435.337 4.178 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 762664083 JQFPGOKRPVTVAS-AVRDEDQJSA-N 432.971 4.380 10 20 IICD CCc1csc(-n2cc(C(=O)N(CC)Cc3cc(Br)ccc3O)cn2)n1 763012178 UWYHWTQMLOIKFZ-UHFFFAOYSA-N 435.347 4.022 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cnn(-c2ccccc2)c1C(F)(F)F 765731978 OFUHGCUACPTJNV-UHFFFAOYSA-N 440.219 4.289 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767303550 HMGXUPWXVXQNOX-LJQANCHMSA-N 433.474 4.241 10 20 IICD COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)c(OC)cc2O)c(OC)c1 768266988 ZHEKTOREGUQBFU-HSZRJFAPSA-N 436.464 4.198 10 20 IICD C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(N2CCOCC2)c(F)c1 773133087 QDDTXMVYEBJEGL-PKKBDPGCSA-N 447.982 4.038 10 20 IICD C[C@@H](NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(N(C)C)cc1 773263121 AZAXNEJEUIPJCB-GOSISDBHSA-N 440.588 4.380 10 20 IICD C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1cccc(Br)c1O 775143878 CTPVCLRUGOVAQY-LLVKDONJSA-N 442.151 4.424 10 20 IICD CC(C)(C)OC(=O)c1cccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 777869680 MXYKTLPFNYTLEL-SSZFMOIBSA-N 435.567 4.488 10 20 IICD COC1CCN(c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2C(F)(F)F)CC1 779514635 OUQBUUXYXLQOIE-CLTKARDFSA-N 436.430 4.384 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1 783315398 BPALMVDGXKILSE-UHFFFAOYSA-N 437.462 4.069 10 20 IICD CCN(CC)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cn1 783487074 UHJKMNFBYYLCPM-GOSISDBHSA-N 431.540 4.243 10 20 IICD CCCc1nc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cs1 785407611 KHFMTIYDPKRRLU-UHFFFAOYSA-N 438.552 4.021 10 20 IICD Cc1cc(C)c([C@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(O)c1 788564629 WZEHWYHMCHJOBS-SFHVURJKSA-N 442.556 4.477 10 20 IICD COc1cccc(Cl)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 790218728 DGNXHLWHDXMSOM-GJZGRUSLSA-N 435.927 4.101 10 20 IICD NC(=O)c1ccc(CNc2ccc(Cl)cc2C(=O)c2ccccc2F)c([N+](=O)[O-])c1 799968146 XVKRXZBOCGWTOY-UHFFFAOYSA-N 427.819 4.329 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Cc3cc(F)cc4c3OCOC4)cc2Cl)C1 800049024 KMQGKUJNCYFIBJ-HNNXBMFYSA-N 432.923 4.441 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C3(S(=O)(=O)c4ccccc4)CC3)cc2Cl)C1 800050418 WCABXGSJVKKKFM-QGZVFWFLSA-N 447.000 4.199 10 20 IICD CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)C1 802676244 JPHVUACPXMNZRJ-QFIPXVFZSA-N 448.615 4.313 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(N(C)C)cc1 807674107 GILVCMRBSSGQGF-OAHLLOKOSA-N 433.474 4.140 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1 812189669 GFKCSOLFWXIMGE-FQEVSTJZSA-N 437.588 4.394 10 20 IICD C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 857759053 YSLALRUJWDJPIL-PMACEKPBSA-N 437.584 4.146 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCOc1ccccc1 913360467 KRVCZNGVXPXQFY-VKAVYKQESA-N 433.576 4.352 10 20 IICD O=CN1CCc2cc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)ccc21 915995426 ZSAXXZGEYKRESB-NRFANRHFSA-N 447.560 4.223 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 917310011 CZWHZPIPEOVWBV-UHFFFAOYSA-N 430.913 4.119 10 20 IICD Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1 917697776 ONXQKBNQFWNPNY-UHFFFAOYSA-N 427.570 4.022 10 20 IICD O=C(CCCCc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)c(F)c1 917709885 JOJISTBZSXGYRM-UHFFFAOYSA-N 449.364 4.454 10 20 IICD O=C(CCn1c2ccccc2c2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 917711556 UHHFTMNRNWKUFR-UHFFFAOYSA-N 431.511 4.477 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(F)ccc1Br 918100375 RNOUTSIRBLVRGQ-UHFFFAOYSA-N 438.366 4.141 10 20 IICD CCc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(C)C)cc1 918118432 SBJZIYHSFZBNPA-VWNXMTODSA-N 436.600 4.147 10 20 IICD CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3sccc3-n3c(C)ccc3C)ccc21 919568500 DMQFNOCLCFUETL-MRXNPFEDSA-N 436.533 4.493 10 20 IICD CCc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 919721374 DNHIBJJHBLVFKC-UHFFFAOYSA-N 433.512 4.087 10 20 IICD C[C@@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)c1ccc(N2CCOCC2)cc1 1337859131 VMQLNQZTHKBMID-CQSZACIVSA-N 433.430 4.394 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 1343883604 DETIZTFXJPTKDF-UHFFFAOYSA-N 449.946 4.172 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccnn2C(C)C)C3)cc1 1845398821 HRARFIFTHMWLMM-UHFFFAOYSA-N 445.567 4.002 10 20 IICD O=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 18799102 KYWMFTIODUPSTR-UHFFFAOYSA-N 437.810 4.050 10 20 IICD CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 248088867 XIDSWZNDNVAOJD-RBBKRZOGSA-N 449.595 4.048 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)ccc21 483370338 BIGTYNGZYCVLQF-AREMUKBSSA-N 449.595 4.016 10 20 IICD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 489312819 MCCCDKHUHCOXEZ-UHFFFAOYSA-N 442.953 4.270 10 20 IICD Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OCC(F)F 726855048 DTMOXAQWNFAYCB-UHFFFAOYSA-N 445.510 4.226 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1F 728740855 GRTPJVZXNQAENF-UHFFFAOYSA-N 440.498 4.337 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)cc2)CC1 731105272 JBWQRYMGDUBGKU-UHFFFAOYSA-N 437.512 4.241 10 20 IICD CCS[C@@H]1CCCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1 732568803 MDHSTRPDJOCEJM-SNVBAGLBSA-N 434.312 4.386 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 740494967 JBFBDWOAEFXTOL-UHFFFAOYSA-N 430.382 4.458 10 20 IICD COc1ccc(CCN(CC(C)C)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC 740919601 CNECSQNPRROSOO-UHFFFAOYSA-N 437.584 4.490 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ncoc3-c3ccc4c(c3)OCCO4)cc2)CC1 742071313 LGGQTDKZORIQGU-UHFFFAOYSA-N 433.508 4.279 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(-c2ccccn2)n1 742804935 CTMMYBZQBSQBPI-AWEZNQCLSA-N 430.480 4.205 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1F 747855887 CMENAXYSVGCRBS-UHFFFAOYSA-N 432.454 4.283 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C 753231931 USGKGMGPJOYMKM-NSHDSACASA-N 437.290 4.141 10 20 IICD O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 753536265 GNKDZCQNGPNDNA-UHFFFAOYSA-N 434.511 4.458 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 753815273 ZEANODWUDFIFKH-UHFFFAOYSA-N 427.593 4.106 10 20 IICD COC(=O)CCSc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 756489355 SZVBVJGLUVTIEH-IBGZPJMESA-N 444.553 4.261 10 20 IICD COc1cc(-c2noc(CCCCCN[C@@H](C)c3cc(F)cc(F)c3O)n2)ccc1O 756706584 ULQUZTRQGGZOIR-ZDUSSCGKSA-N 433.455 4.498 10 20 IICD Cc1cn(-c2ccccc2Cl)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 767095276 SMEVRHPPPIEVRO-GOSISDBHSA-N 425.916 4.361 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cc(C(F)F)ccc1Cl 768717341 QBKRUQYBADQIIV-UHFFFAOYSA-N 439.915 4.086 10 20 IICD COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 769067292 YUIGIOKOWLMOPR-MHECFPHRSA-N 435.524 4.275 10 20 IICD C[C@H](Cc1cccc(O)c1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769431346 NZYINIKHNPIGHC-QFGUUYLXSA-N 446.619 4.183 10 20 IICD Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nn1CCCOc1ccc(F)cc1 771869625 VZMPGSYZSVZDHB-UHFFFAOYSA-N 437.563 4.164 10 20 IICD C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1 772874338 DIMSYEZMDBSUBT-HKUYNNGSSA-N 435.584 4.055 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)c1 774215051 XUNCKDOWNXRYEV-GFCCVEGCSA-N 443.297 4.132 10 20 IICD O=S(=O)(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnn(CC(F)(F)F)c1 775149905 IPEHRDQHQJQROJ-UHFFFAOYSA-N 428.417 4.116 10 20 IICD CC[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(F)cc1F 775451814 ZXFLRJPNOWEXPV-DMPWYTOCSA-N 449.517 4.075 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1O 779020885 ZUVQPTNXULBBCV-UZLBHIALSA-N 431.374 4.347 10 20 IICD CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 779510967 DIRFXNAUSLGGGA-OFCRBKOVSA-N 445.357 4.169 10 20 IICD COc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)cn1 780142054 AVQPMHCXDYNUMR-RIYZIHGNSA-N 426.441 4.390 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3OCc3cccs3)c2)CC1 781270596 NNDKQYVRPPVOTO-UHFFFAOYSA-N 435.549 4.248 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2cnn(C)c2)ccc1F 782726514 TZILPRPQILBPIM-UHFFFAOYSA-N 432.293 4.357 10 20 IICD COc1cccc([C@H](CNC(=O)c2cccc(O)c2O)c2c[nH]c3ccccc23)c1OC 790470555 BDXBYASRNONXCN-IBGZPJMESA-N 432.476 4.158 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(NC(=O)CC)c1 791247027 SXOBIXYZKAOHIY-UHFFFAOYSA-N 425.529 4.037 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1nc2c(s1)CCCCCC2 799434568 RAFGQDIIHLKCDZ-UHFFFAOYSA-N 428.602 4.333 10 20 IICD COc1ccccc1O[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 804968427 DFOWZNJHCUOSBH-NRFANRHFSA-N 441.597 4.001 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)cc2)CC1 805023033 MAMRALDXOLUKDW-FYYLOGMGSA-N 437.559 4.131 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 805023663 ZKPBVNLBSFNABO-OALUTQOASA-N 439.522 4.024 10 20 IICD CC[C@@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cccc(Cl)c1O 806127620 HRQJHARBQVFCHM-WOJBJXKFSA-N 434.964 4.177 10 20 IICD COC(=O)c1c(C)csc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 807003175 XALSJQDMHSKGOW-HNNXBMFYSA-N 437.521 4.158 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)cc1 807671368 QKKIMPGVJBSRNP-RUZDIDTESA-N 444.579 4.100 10 20 IICD CC(=O)NCC[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1 808218708 PTONRQFNKULZQK-IBGZPJMESA-N 434.536 4.212 10 20 IICD C[C@H](NC(=O)C1(Cc2ccccc2Br)CC1)c1ccc(N2CCOCC2)cc1 814114116 WMZYQEIYSYXZQL-KRWDZBQOSA-N 443.385 4.486 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@H]1CCc2nncn2C1 814317261 DYRUYUVVUSCTLP-HNAYVOBHSA-N 443.473 4.152 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc(Br)c2)s1 914600901 ZTAJUUXUUZHPFD-LFIBNONCSA-N 435.368 4.480 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc2c(c1)OCCO2 916110420 NBKLAOJDZGJBKC-UHFFFAOYSA-N 430.463 4.235 10 20 IICD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 919823651 UPZADFOPQSDKJT-LJQANCHMSA-N 441.597 4.492 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 920237938 LIDTZIVOEFDABX-NRFANRHFSA-N 444.373 4.332 10 20 IICD C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(N2CCOCC2)cc1 920880223 DLEQLPQACBZAQN-MRXNPFEDSA-N 444.457 4.219 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1nn(-c2ccccc2F)cc1Br 1319840791 SPTZSADPNRSPJL-UHFFFAOYSA-N 444.304 4.288 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(F)s3)C2)cc1 1842128122 VHINIYLBHSGXBR-UHFFFAOYSA-N 437.540 4.426 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNCc2ccc(N3CCN(C)CC3)nc2)cc1 30660538 DEYUPELQAJGCMN-UHFFFAOYSA-N 429.612 4.150 10 20 IICD O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cccc2c1C(=O)c1ccccc1C2=O 32849960 TVOFIBUEDDWNDC-UHFFFAOYSA-N 428.375 4.008 10 20 IICD COCCOc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726698053 WNULYRUNQBAASX-UHFFFAOYSA-N 435.471 4.104 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)sc2C)cc1 727241962 OIAVCIXOBDCEOR-UHFFFAOYSA-N 440.550 4.173 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(OC)c(OC)cc3OC)ccc21 728455526 VATPMLZIMJGQTE-UHFFFAOYSA-N 427.497 4.287 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 728979825 NXWKZEXSQRBSDS-INIZCTEOSA-N 440.521 4.001 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3CCC(c4ccccc4)CC3)cc2)C1 731118922 DLBVCHCJIDXUAS-VZYOYLOZSA-N 448.611 4.162 10 20 IICD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 731765732 YECDNRYQVCIJAV-UHFFFAOYSA-N 433.424 4.144 10 20 IICD COCC[S@](=O)Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 735179774 SVARXHHIRFSVRO-HKBQPEDESA-N 442.537 4.115 10 20 IICD O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 735518630 XMEDOYUOWKMOQY-QGZVFWFLSA-N 438.505 4.066 10 20 IICD C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3nn[nH]n3)c2C1 736157127 RQFLTFZFKMRRFT-ARSNJYAISA-N 439.523 4.189 10 20 IICD COc1cc(N(C)CC(=O)N[C@H](c2ccccc2)c2cccs2)cc(OC)c1OC 741799279 WEKZBKIEUOOEQM-JOCHJYFZSA-N 426.538 4.116 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1NC(=O)CC(C)C 742046915 DCWQPSWZIGXTIA-UHFFFAOYSA-N 425.598 4.463 10 20 IICD CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C12CCCCC2 748625415 LTFWITUZMUBUJB-UEVCKROQSA-N 429.605 4.354 10 20 IICD CO[C@H](C)c1nc(CN2CCCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)cs1 752355635 QHAHXLGDGNBVFM-OAHLLOKOSA-N 437.993 4.120 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1NC(C)=O 753978982 ZUCNYMMLKYMBRM-UHFFFAOYSA-N 435.502 4.025 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 755469980 RRESHOJSQZUHEY-OFVILXPXSA-N 434.584 4.206 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)ccc2Br)cc1 757820786 LQWCDBMMAXEZKU-UHFFFAOYSA-N 436.325 4.032 10 20 IICD COc1cc(N2CCN(C(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)CC2)cc(OC)c1OC 759223684 UVWROGWNTDPYMP-WNPZUFKQSA-N 442.600 4.358 10 20 IICD CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 763088714 VFIXOXJRFRLQHZ-UHFFFAOYSA-N 448.495 4.170 10 20 IICD CC(C)(C)OC(=O)Cc1cccc(NC(=O)NCc2cccc(Br)c2O)c1 765304685 QYGULKSUDVVNNI-UHFFFAOYSA-N 435.318 4.361 10 20 IICD C[C@@H](NC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)cc1 765335496 WTGYVXMYHNEVKA-GOSISDBHSA-N 427.976 4.132 10 20 IICD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCc1cccc(Br)c1O 765727540 CDUGKDQIKJRDQR-JLTOFOAXSA-N 441.366 4.245 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(Br)nc1 766169089 OFDLOVNDVCEXCD-UHFFFAOYSA-N 429.112 4.366 10 20 IICD O=C(Nc1cc(C(F)F)ccc1Cl)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 768715530 RTFPVGJGZKODPV-OAHLLOKOSA-N 438.858 4.130 10 20 IICD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cc(Br)ccc2O)CC1 768815977 OVIWXBLSEDBVAO-OAHLLOKOSA-N 443.345 4.084 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)C3CCCC3)nc12 775376858 UOAUUSLLOGFFTO-FQEVSTJZSA-N 428.920 4.286 10 20 IICD CC[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccccc1O 775489733 QWUGFAXPLGJPDR-QFIPXVFZSA-N 428.529 4.251 10 20 IICD Cc1cccc(CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1O 775645750 PYIFNZKNVSMZJH-UHFFFAOYSA-N 432.446 4.087 10 20 IICD CCN(CC)c1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1F 797604399 RDAFAUIFXFCLHU-UHFFFAOYSA-N 442.398 4.375 10 20 IICD CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 806458141 VQWQORRYMRFSMF-QFIPXVFZSA-N 429.536 4.088 10 20 IICD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1cc(Br)ccc1O 807386900 OZHMQSMEFGJANT-UHFFFAOYSA-N 449.345 4.033 10 20 IICD CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl 807671839 TZBJRYMMUAAEMU-INIZCTEOSA-N 431.964 4.079 10 20 IICD O=C(NC[C@@H]1CCCN(c2ccccc2)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1 807756083 KUMPZRSCHVATTC-NRFANRHFSA-N 449.595 4.086 10 20 IICD CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 808071112 MYYDJZVGQSOIJR-REWPJTCUSA-N 430.589 4.154 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4cccnc4)cc3)cc2F)CC1 808896600 IVXAOCVGXJDTLF-UHFFFAOYSA-N 449.530 4.477 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cnc(C(F)(F)F)cc3C)cc2F)CC1 810267930 JJGGWGGMMBNTOI-UHFFFAOYSA-N 439.457 4.012 10 20 IICD CC(C)OCc1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)ccc1O 811704316 ZJXCNYWBDAYVKR-UHFFFAOYSA-N 434.297 4.123 10 20 IICD COc1ccc(N2CCCN(c3nnc(Cc4ccccc4OC)n3CC(C)C)CC2)cc1 812209829 BYHLIBQMPFXCGQ-UHFFFAOYSA-N 449.599 4.259 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncn(C(C)(C)C)n2)c(C)n1-c1ccc(F)c(Cl)c1 812694575 YEHKRHGQOCIITP-UHFFFAOYSA-N 432.883 4.273 10 20 IICD COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)oc1C 814280679 INSFVNGZFXUHIN-RIYZIHGNSA-N 425.434 4.382 10 20 IICD COc1ccc(CSCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1[N+](=O)[O-] 914725800 VJGCIDUVHSRVFM-UHFFFAOYSA-N 431.558 4.340 10 20 IICD Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 917707579 OMGDDBJOZGAAEX-UHFFFAOYSA-N 431.558 4.015 10 20 IICD Cc1ccc(-n2nc(C)cc2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 1115855501 LNPDAQQNUQUHNH-UHFFFAOYSA-N 433.556 4.020 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4c(OC(F)(F)F)cccc4[nH]3)CC2)cc1F 1116237781 QCQCVGAKAPLBQM-UHFFFAOYSA-N 437.393 4.177 10 20 IICD COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1116277299 JWDJVNPDGKGWGL-QFIPXVFZSA-N 428.916 4.228 10 20 IICD CC1CCN([C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)c2cccs2)CC1 1318419190 VDJBWYQNNOJERB-QHCPKHFHSA-N 430.637 4.202 10 20 IICD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 1323686482 PHTJHHXYBVZVLS-HSZRJFAPSA-N 429.568 4.310 10 20 IICD C[C@@H](CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N(C)C(=O)OC(C)(C)C 1338933016 JRIFOPPRRFSJOD-IBGZPJMESA-N 432.609 4.464 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290629 CKPJQNVXOFOXTQ-QGZVFWFLSA-N 446.935 4.361 10 20 IICD O=C(COC(=O)c1c(F)cccc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 10646644 GVNCHHPQZVUEGF-UHFFFAOYSA-N 437.810 4.050 10 20 IICD COc1ccc(N2CCN(Cn3nc(-c4ccccc4Cl)n(C)c3=S)CC2)cc1 69005072 QFZOTEGFDIIGJL-UHFFFAOYSA-N 429.977 4.060 10 20 IICD CC(C)=CCSc1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 303842188 JDVLBSMMOKWAHE-UHFFFAOYSA-N 430.595 4.232 10 20 IICD Cc1sc2ncnc(SCCC(=O)N3CCOc4cc(N(C)C)ccc43)c2c1C 437008597 TVFKTYDPFQXOSB-UHFFFAOYSA-N 428.583 4.282 10 20 IICD O=C1/C(=C/c2csc(C3CC3)n2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726801296 GLZRYRFVKHZIDI-YVLHZVERSA-N 430.576 4.236 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)Nc4cccc(C)c4)CC3)c2C)cc1 728522139 LLJXGMWCKDGURY-UHFFFAOYSA-N 446.551 4.401 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Br)c(F)cc1F 728583624 XERPWDKSPIQFQA-UHFFFAOYSA-N 433.318 4.004 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 730119784 PWGOMKHHRHXBGW-QZTJIDSGSA-N 437.519 4.255 10 20 IICD COc1ccc(OC(C)C)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 730384554 QNOBEMWBWHZHQS-UHFFFAOYSA-N 427.545 4.013 10 20 IICD Cc1cc(C(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)c(C)n1-c1ccc(C(C)C)cc1 734178942 XAAAFBILNNQFFS-QFIPXVFZSA-N 446.551 4.224 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 737057299 QEGNQAKUEWBURM-UHFFFAOYSA-N 432.524 4.186 10 20 IICD COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 741710172 YXHZUMNHRMDCJR-QGZVFWFLSA-N 426.517 4.053 10 20 IICD COc1cccc([C@@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742752128 YUKUYFRCCCXLHD-VGOFRKELSA-N 441.572 4.247 10 20 IICD CC(C)(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC(=O)OC(C)(C)C 742805158 HKSSQPGRQUFSDB-OAHLLOKOSA-N 441.519 4.066 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 743957859 DQTMKBOAAQBLSP-UHFFFAOYSA-N 448.494 4.244 10 20 IICD COC(=O)COc1c(C)cc(/C=C2\SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 746362608 XCOCOFPYDUFTJC-ADIYBXICSA-N 431.579 4.245 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 747411674 UZKKKJARDNXSTM-NTKDMRAZSA-N 425.573 4.186 10 20 IICD O=C(/C=C\c1cccc(OC2CCCC2)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749406806 QDKIFRNFKBOGGM-LUAWRHEFSA-N 438.543 4.438 10 20 IICD Cc1cccc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 750027870 SHBQYFLMYKAGHA-ATVHPVEESA-N 431.608 4.092 10 20 IICD O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 751101391 FBLUQMOZAHCTMQ-PZJWPPBQSA-N 429.948 4.015 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 760066174 PLWISDIOPQPVDV-MRXNPFEDSA-N 435.318 4.376 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)c2C)cc1 763136519 FGRRWGNULZORRG-UHFFFAOYSA-N 433.552 4.312 10 20 IICD O=C(NCc1cccc(OCc2ccccn2)c1)NCc1cccc(Br)c1O 764760500 HJQOAEGNRCFDIU-UHFFFAOYSA-N 442.313 4.128 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Br)ccc1F 765256488 UILKULQXEHIGTA-GOEBONIOSA-N 434.353 4.141 10 20 IICD COc1ccccc1NC(=O)C[C@H](C)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642565 DKLOHVUAFKKBHE-INIZCTEOSA-N 433.499 4.272 10 20 IICD COc1ccc(NC(=O)C[C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c(OC)c1 765871913 HCYSCYGJBNSCFL-IBGZPJMESA-N 425.573 4.447 10 20 IICD Oc1c(Br)cccc1CNC(=S)NCc1ccc(Br)cc1 765991997 FMLTXNYANNFYPS-UHFFFAOYSA-N 430.165 4.082 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 766250256 LKSPBBKCMGSGOP-XMMPIXPASA-N 434.515 4.287 10 20 IICD CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cc(Cl)cc([N+](=O)[O-])c1O 769491783 BUPUQTKZECNYHK-MQVJKMGUSA-N 425.913 4.364 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)c2)CC1 770144134 ROMAAGMBZMCVOH-UHFFFAOYSA-N 428.558 4.490 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(CSC2CCOCC2)c1 772042651 IHYKJDGZZUOJBS-UHFFFAOYSA-N 446.956 4.427 10 20 IICD COc1ccc(N2CCC(N[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)CC2)cc1 773052257 XRJBMIIKPBXZLE-GOSISDBHSA-N 433.474 4.078 10 20 IICD Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)n1 773858082 OISUWLUGJPJLIH-OAHLLOKOSA-N 440.594 4.485 10 20 IICD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1ccc([N+](=O)[O-])c(OC)c1O 774819353 JRYUYXKCPBEIPU-UHFFFAOYSA-N 432.864 4.023 10 20 IICD O=C(OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1ccccc1N=Nc1ccc(O)cc1 774954074 VQVPWPHAYDORBD-KRWDZBQOSA-N 449.385 4.087 10 20 IICD O=[N+]([O-])c1ccc([C@H](O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 776279921 YVWHNGHJPYRGIE-PZJWPPBQSA-N 425.510 4.463 10 20 IICD CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)CC1 777494944 IXVKYFXFCVNBBV-UHFFFAOYSA-N 448.542 4.150 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c12 782321757 WRSLTZQDUIGGRU-IAGOWNOFSA-N 439.531 4.178 10 20 IICD O=C(NC[C@H]1CCCCN1C(=O)NCCCSc1nccs1)Nc1ccccc1 782730923 ABMJLOBSRQYVHS-QGZVFWFLSA-N 433.603 4.011 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1)c1ccc(N)cc1 783484599 FOXSJQCDNZVLGG-AVRDEDQJSA-N 445.519 4.169 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 784105253 DGUUNXINMONTTG-UHFFFAOYSA-N 448.567 4.057 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)cc2)CC1 786254406 DCGQFTAIKYWZQQ-LEWJYISDSA-N 446.378 4.082 10 20 IICD COc1cc(-c2ccccc2)sc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 786655530 FJTXXENIFBPVNV-UHFFFAOYSA-N 449.576 4.022 10 20 IICD CCCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 788328450 QDVRFVZZMNNNBR-LJQANCHMSA-N 437.584 4.415 10 20 IICD Cc1ccc(F)cc1-c1nnc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 791904752 QOOLWIFQZCTWIX-UHFFFAOYSA-N 441.532 4.153 10 20 IICD Cc1cc(C(=O)COc2ccccc2S(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 795253962 RMSHALKRIFXUHE-UHFFFAOYSA-N 449.475 4.361 10 20 IICD COc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(O)c1 797624414 PBGXJMCYXOCQAQ-UHFFFAOYSA-N 427.501 4.410 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)cc2Cl)C1 799995770 VPLQZUIFXPHPGA-MJGOQNOKSA-N 429.996 4.084 10 20 IICD Cc1ccc(-n2[nH]c(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)cc2=O)cc1 800571282 HUUFYTDFEISRPR-KRWDZBQOSA-N 438.959 4.294 10 20 IICD CCc1oc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1C(=O)OC 800793352 PQYPEMWBWDIHJF-LZNAANCOSA-N 429.519 4.354 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3cccs3)cc2Cl)C1 807951708 FIYKPGBKDPXLIS-JKSUJKDBSA-N 434.005 4.474 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(Cl)cc1Cl 808114958 JCADVBTUSBIWNX-UHFFFAOYSA-N 428.652 4.079 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 808274507 SOIBYYGNJBUZHR-MXVIHJGJSA-N 442.604 4.193 10 20 IICD COc1cc(Br)cc(CNc2ccc3nccnc3c2Br)c1O 809705168 OZZRVQZSQBKIRU-UHFFFAOYSA-N 439.107 4.481 10 20 IICD C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 812015128 MYCWBIHTKKSJSE-YMSRPXOMSA-N 445.563 4.358 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccccc4C)n3C[C@@H]3CCOC3)CC2)cc1 812409118 ZFRBBUGIRLRAOB-NRFANRHFSA-N 447.583 4.015 10 20 IICD COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)CC2)cc1 914830094 WNECURLSELUSJT-UHFFFAOYSA-N 430.552 4.248 10 20 IICD Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 918140088 IJGGNKYTJRCLOE-GASCZTMLSA-N 441.547 4.161 10 20 IICD C[C@H](NC(=O)NCC1(N2CCCCC2)CCCCC1)c1ccc(N2CCOCC2)cc1 920922033 ZRWUXVJGKHAFET-NRFANRHFSA-N 428.621 4.072 10 20 IICD Cc1noc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n1 1116138043 YCSYYVQKVRCLJA-QGZVFWFLSA-N 428.439 4.045 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)C(=O)OCc2ccccc2)cc1 1321020611 LYQKCFGDHGXMOT-HSZRJFAPSA-N 446.507 4.002 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(OCCC(C)C)c(OC)c3)CC2)cc1 108431823 BKGMHDPNYXVMGL-UHFFFAOYSA-N 426.557 4.481 10 20 IICD Cc1ccc(CNC(=O)c2cccc(CNCc3ccc(N4CCOCC4)cc3)c2)cc1 237876559 AGLZYWLWJOXBIQ-UHFFFAOYSA-N 429.564 4.051 10 20 IICD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc2c(c1)CCCN2C 302968007 HUJZZAYCTXTIEV-UHFFFAOYSA-N 427.552 4.131 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cc1 726697437 JAIJIVBIDHRPRP-UHFFFAOYSA-N 436.556 4.030 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)cn1 726985841 FYSYPSMISROBAM-XDHOZWIPSA-N 435.530 4.470 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)c2cc(Br)ccc2OC)c1 728980275 ZJKBSXQPDRKCHY-GFCCVEGCSA-N 436.302 4.012 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)c1C 729234972 OXMVCKXFJKJXDK-MRXNPFEDSA-N 432.480 4.168 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3cccc(OC(C)C)c3)cc2F)CC1 730118878 VFLMBHKAAGTCNF-LJQANCHMSA-N 442.579 4.315 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C(=O)Nc3cc[nH]n3)c3ccccc3)c2C)c1 733150028 HAXQIQPFAFKHIB-HSZRJFAPSA-N 427.508 4.235 10 20 IICD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCSc3nccs3)c2)cc1 733973992 CJZJFAJIUZQXKX-UHFFFAOYSA-N 447.607 4.165 10 20 IICD O=C(CCSc1nc2ccccc2s1)NCc1ccc(N2CCC(CO)CC2)cc1 736196784 VWPVXIGUKHRJTM-UHFFFAOYSA-N 441.622 4.304 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)[C@H](C)c3ccccc3C(F)(F)F)CC2)cc1 741894062 QWKCPLFHELIFRM-GOSISDBHSA-N 449.517 4.146 10 20 IICD CCOCc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1OC 742378062 ASCSVJNILGKIDK-HXUWFJFHSA-N 434.483 4.118 10 20 IICD COc1ccc(N2CCN(CCNC(=O)c3sccc3-c3ccc(C)cc3)CC2)cc1 742927329 ORHXECGEDNVFGH-UHFFFAOYSA-N 435.593 4.284 10 20 IICD COC(=O)CCCc1nnc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)s1 743181885 VWBTYFREWWCIJM-UHFFFAOYSA-N 432.546 4.106 10 20 IICD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1c2ccccc2cc2ccccc12 746515973 MIIUTUWOKVDJIM-UHFFFAOYSA-N 430.529 4.480 10 20 IICD COc1ccccc1[C@H](CC(C)C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 746772279 LWFDIONZEUUQHU-QHCPKHFHSA-N 425.573 4.461 10 20 IICD Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(F)cc1F 748718453 KDCYNFPLVOCSRC-HXUWFJFHSA-N 433.499 4.335 10 20 IICD Cc1cc(C(=O)N(C)Cc2nnc3ccccn23)c(C)n1-c1cccc(Br)c1 749386134 HFOLPDPHAOZNAH-UHFFFAOYSA-N 438.329 4.172 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3cccs3)c2C)cc1 753706700 JBOYIXHRFYQPLF-SIKLNZKXSA-N 440.565 4.129 10 20 IICD O=C(NCCc1csc(-c2ccccc2)n1)NCc1ccc(N2CCSCC2)cc1 753930820 RDONXAXQHHCAQR-UHFFFAOYSA-N 438.622 4.405 10 20 IICD Cc1ccc(Cn2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2=O)cc1 754467610 JCQCBRTVWMLMTM-JOCHJYFZSA-N 447.535 4.124 10 20 IICD CCOC(=O)c1c(NC(=O)CCN(C)Cc2cn[nH]c2)sc(C)c1-c1ccccc1 754659990 OQRXOCIOQSGNIG-UHFFFAOYSA-N 426.542 4.084 10 20 IICD C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 756258926 URGGMAPCTHNXGI-HNNXBMFYSA-N 425.489 4.070 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2cc3c(cc2Br)OCCO3)c1 756480799 ZTGOAURQTQGWCD-NEPJUHHUSA-N 436.302 4.124 10 20 IICD C[C@@H](c1cccc(Br)c1)N1CC(=O)N(CCCSc2nccs2)C1=O 761298289 MINBACFWSWYTAP-LBPRGKRZSA-N 440.388 4.413 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)NCc2cccc(Br)c2O)C[C@@H](C)O1 765254796 ZFIGHFGILVPSLH-OKILXGFUSA-N 434.334 4.090 10 20 IICD COc1cc(N(C)[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc(OC)c1OC 772777318 OVGIQKXLDLONDE-KRWDZBQOSA-N 426.513 4.480 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(C)s3)n2)cc1 773365125 OXJFKVROBMNOEY-UHFFFAOYSA-N 449.623 4.358 10 20 IICD C[C@@H](NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccc(N(C)C)cc1 773614999 VQYFYWDBPQOOHV-HXUWFJFHSA-N 448.611 4.426 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)cc2)CC1 780425938 AZPYBLAMDMYASF-WIYYLYMNSA-N 427.511 4.206 10 20 IICD COc1ccc(N2CCC(NC(=O)c3sc(NC(=O)OC(C)(C)C)nc3C)CC2)cc1 782261456 LSUQBCGZNQKJPJ-UHFFFAOYSA-N 446.573 4.206 10 20 IICD CSCc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782424034 WHJRPQCUYSGNLU-UHFFFAOYSA-N 437.565 4.376 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(-c3ncco3)c2)cc1 782425000 MCECTDAWRWZJTE-UHFFFAOYSA-N 444.491 4.168 10 20 IICD CC(C)Cn1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C(C)C 784109179 SGWSLMIWAYEVNK-UHFFFAOYSA-N 425.577 4.407 10 20 IICD C[C@@H](NCc1cc(Br)cc(Br)c1O)c1nc(C(C)(C)C)no1 792180825 MVLWSBBQZHSXKF-MRVPVSSYSA-N 433.144 4.449 10 20 IICD COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 795609734 IVNAEKUMUPZDCG-UHFFFAOYSA-N 425.875 4.181 10 20 IICD C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 796270013 CTJVNPWLWKUNAW-HXUWFJFHSA-N 449.620 4.350 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 797647963 QTKRKRDLEHMXAU-LBPRGKRZSA-N 435.311 4.402 10 20 IICD CC[C@@H]1CCc2nc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)sc2C1 799432526 TZQZUXCSVZFXJP-CQSZACIVSA-N 432.565 4.080 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1 800506160 MHYVAKONAKMRNU-WMZOPIPTSA-N 425.520 4.260 10 20 IICD CSCC[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc2ccccn12 806680016 PQRAGVCULASDAA-GOSISDBHSA-N 440.573 4.212 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 808830791 NAOAEXFUQZZYHG-UHFFFAOYSA-N 434.540 4.201 10 20 IICD C/C(=C/c1ccccc1OC(F)F)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 810133758 PNKURBFWUWWLHC-QUHSPFQSSA-N 429.511 4.183 10 20 IICD Cc1cnn([C@H]2CCN(C(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)C2)c1 812381144 VQPISSGOPZRWKF-IBGZPJMESA-N 427.346 4.449 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCN(c3ccccc3F)C2)cc1 813855886 SSTURNFRMFYMRN-FQEVSTJZSA-N 436.531 4.475 10 20 IICD CCCCCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 864049751 XERPPOADYQFTHQ-PTNGSMBKSA-N 441.416 4.347 10 20 IICD CCCNC(=O)C1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 874101370 WKNPZRQPOIQIQK-UHFFFAOYSA-N 434.536 4.212 10 20 IICD Cc1ncsc1CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914069895 HWZMYBRRPCQLHG-XNTDXEJSSA-N 438.621 4.280 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 914506065 WPIPJPNNAWCAFY-KRWDZBQOSA-N 431.577 4.389 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 918000287 IZESGSIABUNMLY-UHFFFAOYSA-N 432.524 4.472 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 918213721 QICBJWBZGKITKD-INIZCTEOSA-N 448.430 4.433 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)/C=C/C2=S=C(c3ccc(F)cc3)C=C2)cc1C 918660882 URJQMUGQVLWRTO-JLHYYAGUSA-N 444.553 4.087 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920924726 DTPXCAUSCOKWSB-LJQANCHMSA-N 429.520 4.006 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccncc2F)cc1 1797219613 SQHKLULYADULJZ-QQFNCUIESA-N 446.526 4.194 10 20 IICD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291881 HWGSCFAZVAWJFY-QGZVFWFLSA-N 440.887 4.094 10 20 IICD CCCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1 18421744 NCPQFYOWBFXMIM-UHFFFAOYSA-N 444.004 4.483 10 20 IICD CCCOc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OCCC 72027893 FCMZTFXTWHXRRL-UHFFFAOYSA-N 444.547 4.294 10 20 IICD COc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Oc1ccc(C)nn1 542965015 SJWOOEXVUKSDFZ-UHFFFAOYSA-N 435.484 4.083 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Cn3c(C)nc([N+](=O)[O-])c3Br)c2C)c1 726430887 DIKLPYUEHPVMKN-UHFFFAOYSA-N 431.290 4.461 10 20 IICD O=C(NCCCOc1ccccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610390 FBCSTQOSGCPHDD-UHFFFAOYSA-N 437.462 4.164 10 20 IICD CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 727358630 FVTPEFFTGQGUPR-UHFFFAOYSA-N 431.370 4.167 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 727483333 FKANGMLXGHNQBV-UHFFFAOYSA-N 430.913 4.119 10 20 IICD Cc1cc(=O)n2nc(COC(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)sc2n1 728945483 VPLPNKBWWVERQE-UHFFFAOYSA-N 448.508 4.298 10 20 IICD CCC(CC)CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 729433755 SSEAPIKAEAURSH-OQLLNIDSSA-N 441.416 4.203 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)c1 732478479 FWFCTCXERUPPFB-UHFFFAOYSA-N 431.536 4.237 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1CCc2c(O)cccc21 733976846 DDTMMIVJGYYSAR-JIHKLPAASA-N 444.603 4.239 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 734212181 LJPZCTGYNHIYPN-UHFFFAOYSA-N 434.212 4.155 10 20 IICD CCN(Cc1cccc(NC(=O)NCc2cccc(OC)c2O)c1)C(=O)OC(C)(C)C 737003608 JYTPPOCNGQZCBT-UHFFFAOYSA-N 429.517 4.480 10 20 IICD COc1cc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C 741278274 ZKODRIXTLGJOPU-UHFFFAOYSA-N 433.499 4.116 10 20 IICD O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1C(C1CC1)C1CC1 743281894 HJQRPYSGDMNZRW-UUASQNMZSA-N 425.478 4.407 10 20 IICD CC(C)N(C)C(=O)C1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 743341584 ONNRKHUKYLXMOF-UHFFFAOYSA-N 428.621 4.244 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1F 743598203 JPFVCJPSGJSZNN-HNNXBMFYSA-N 441.507 4.291 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)OC[C@H]3CC(=O)N(Cc4ccccc4)C3)c2C)cc1 744231792 QPOBTAYQIIEIRC-NRFANRHFSA-N 432.520 4.308 10 20 IICD CCN(C[C@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1)CC(F)(F)F 748092506 DDJDIFBQYODRAK-MRXNPFEDSA-N 436.474 4.035 10 20 IICD Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 748686875 VSSMRXBYBXAIBP-AWEZNQCLSA-N 442.427 4.106 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC1(c2ccc(Br)cc2)CC1 749012275 UUJFITHROJOWJP-UHFFFAOYSA-N 446.414 4.491 10 20 IICD Cc1cc(CC(=O)NCc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 749436399 MYNMLLAJLSOVPS-UHFFFAOYSA-N 444.984 4.151 10 20 IICD O=S(=O)(c1ccc2nc(Cl)sc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751137762 WRRVCBFKJJBJCR-AWEZNQCLSA-N 438.958 4.025 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(F)cc(F)c1O 756661263 ZWVISDQOXXFQIB-CYBMUJFWSA-N 436.455 4.461 10 20 IICD Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 759774114 KRQPEZBUWHFPSF-HXUWFJFHSA-N 432.012 4.020 10 20 IICD Cc1cccc([C@H](NC(=O)NCc2cccc(Br)c2O)c2ccccn2)c1 765537042 WAIAPJIETOKQAH-IBGZPJMESA-N 426.314 4.447 10 20 IICD CN(CCOC(C)(C)C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769321981 GPJDBXHXRUYVKR-SQFISAMPSA-N 426.629 4.003 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCCSc1nccs1 774242295 UFOQSLCHWZTCEL-IUODEOHRSA-N 444.420 4.463 10 20 IICD COc1cccc(OC)c1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 775257515 PNRSGFQIBPRYNJ-UHFFFAOYSA-N 442.518 4.487 10 20 IICD C[C@H](NC(=O)Nc1cc(F)c(Br)c(F)c1)c1ccc(N2CCOCC2)cc1 775380237 WXGJZDZNNXYGPY-LBPRGKRZSA-N 440.288 4.447 10 20 IICD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775404430 MJCGQYAUVFDKIG-HRAATJIYSA-N 427.545 4.204 10 20 IICD COc1ccc(C(=O)Nc2cccc(OCCNCc3cccc(Cl)c3O)c2)cc1 776174460 AHBQAOUOYLUEGM-UHFFFAOYSA-N 426.900 4.475 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 778918653 MTOFWZNHOCCVBC-HXUWFJFHSA-N 428.282 4.297 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2)CC1 786256575 UMVFDCZCRWKXMS-FCHUYYIVSA-N 446.378 4.082 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccco4)no3)cc2Cl)C1 800046947 FINSLZVVDWPEQI-HNNXBMFYSA-N 428.920 4.468 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3cc(F)ccc3F)cc2)CC1 805024105 AMKUQVYWOIBPEP-QGZVFWFLSA-N 429.511 4.037 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1 806169688 JADRJWTYEONTLU-NTKDMRAZSA-N 437.584 4.146 10 20 IICD C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](C)c1ccccc1C(F)(F)F 807287702 MHOSCRSZKKHBSE-IRXDYDNUSA-N 445.485 4.006 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 809372581 QHKKVZXQNZPWLP-OAHLLOKOSA-N 438.446 4.297 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2F)C[C@@H](C)O1 809920435 ZDHOXPUNEYQEQC-BETUJISGSA-N 436.871 4.323 10 20 IICD Cc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1 813590590 OFELCDONJLPIGO-UHFFFAOYSA-N 427.564 4.181 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 915725186 BOBFWSFCOJKWJK-QHCPKHFHSA-N 427.508 4.431 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OC(F)F)c(Cl)c1 916668778 MVLDPTGEXRRMLY-UHFFFAOYSA-N 443.853 4.363 10 20 IICD C[C@@H]1CN(c2ccccc2NC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1 916697381 KWVAWVGPULADRW-RTBURBONSA-N 440.613 4.175 10 20 IICD O=C(COc1ccc(Cl)c2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1 917168043 FHWGOPAMQXQBTO-UHFFFAOYSA-N 428.891 4.164 10 20 IICD CC(C)(C)c1nc(CN2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cs1 918210675 WFEGCRKBYFYULI-UHFFFAOYSA-N 441.645 4.068 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 918443649 FIAXIIITBLGPRV-UHFFFAOYSA-N 446.290 4.483 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 919655612 SUQVWQXXBMEJCJ-XMMPIXPASA-N 438.547 4.499 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)c2C)cc1 920291591 BMEMEMFPQTZHOM-DEOSSOPVSA-N 447.535 4.150 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1Cl 920866194 XAHCSGGZPWFCPG-CQSZACIVSA-N 429.369 4.178 10 20 IICD C[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920880678 GXKMMEMQBHYMSZ-OAQYLSRUSA-N 446.547 4.358 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 920920238 KADYRBSGLLIFDQ-NRFANRHFSA-N 436.600 4.416 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1254721403 RQNQTOMPIJANMN-BLIXFSHQSA-N 428.598 4.459 10 20 IICD Cc1cc(-c2nnc(CCNS(=O)(=O)/C=C\c3ccccc3)o2)c(C)n1-c1ccccc1 1257652399 MSOKLWXTONUVOS-PEZBUJJGSA-N 448.548 4.277 10 20 IICD COc1cc(N2CCN(c3cc(C(C)(C)C)nc(C(C)C)n3)CC2)cc(OC)c1OC 1321156745 IJHKDWYTWUOBLT-UHFFFAOYSA-N 428.577 4.250 10 20 IICD Cc1cc(C(=O)COc2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccc(OC(F)F)cc1 107673414 HAZLIDZEPTYRKS-UHFFFAOYSA-N 449.475 4.361 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429716455 FYYCAANELYVJJY-UHFFFAOYSA-N 429.883 4.221 10 20 IICD COc1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 726709521 XUJKDEAQKWAAIB-OAHLLOKOSA-N 437.462 4.111 10 20 IICD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2OC)cs1 727250254 HHZHDRWWXSJNSH-UHFFFAOYSA-N 437.474 4.229 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 727391983 LMVWYVHIWODQOW-OAHLLOKOSA-N 445.972 4.147 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc21 728637018 GOSIQLDZFLFQPR-SFHVURJKSA-N 436.508 4.291 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2F)C[C@H](C)O1 728696338 VSAAJGIXQUZRMN-HOTGVXAUSA-N 440.519 4.036 10 20 IICD CCN1CCN(c2ccc(CNC(=O)NCc3cc4ccccc4s3)cc2F)CC1 730121801 ANFCKKLJXOVUQP-UHFFFAOYSA-N 426.561 4.182 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1F 731363590 JLUYQZJDTUVJBK-UHFFFAOYSA-N 440.563 4.038 10 20 IICD COc1ccc([C@H]2[C@H](COC(=O)c3cc(C)n(-c4ccccn4)c3C)CCC(=O)N2C)cc1 735777866 LAOXTVAHJJGLAA-CPJSRVTESA-N 447.535 4.264 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1Br 739890333 IFBOXQSRZMAWEZ-UHFFFAOYSA-N 442.653 4.490 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(-n3cncn3)c(C)c2)cc1 742072290 CFCRQVYUMVBAAH-UHFFFAOYSA-N 441.535 4.497 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1C 743045876 CSNWBVZWOCBKOR-UHFFFAOYSA-N 432.523 4.023 10 20 IICD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)C1 745189828 QHVSLWQITCTOJM-HNAYVOBHSA-N 432.542 4.111 10 20 IICD COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 746479284 NPHIXSLDCXPHFV-NOZRDPDXSA-N 445.519 4.409 10 20 IICD COC(=O)c1c(C)nc(O)nc1SCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 750492611 YJRFSMIVLRCIAY-UHFFFAOYSA-N 439.537 4.277 10 20 IICD COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 755273646 HNBLHCFOCFFXGO-AWEZNQCLSA-N 440.407 4.496 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 755983708 NOKHTWMTMRUDQY-UHFFFAOYSA-N 428.304 4.086 10 20 IICD C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1cc(Br)c(F)cc1O 756602772 FKWCJTCESHWQQG-GFCCVEGCSA-N 427.289 4.120 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(F)cc1I 758621494 SQJJYAGDNUKQGW-UHFFFAOYSA-N 437.303 4.191 10 20 IICD COC(=O)c1cn(C2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)CC2)nn1 758964625 MZEMWSFXJZZJRY-UHFFFAOYSA-N 428.577 4.202 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccccc3)CC(F)F)cc2F)C[C@@H](C)O1 759566447 CLTOOMJPUGJBJT-IAGOWNOFSA-N 435.490 4.416 10 20 IICD CCOc1ccccc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 761564332 SZIPJZIGAHWSAT-UHFFFAOYSA-N 443.506 4.370 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1C1CC1 763121295 YWAVKNVPZRUALL-QGZVFWFLSA-N 425.577 4.175 10 20 IICD CC(C)(C)Oc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1[N+](=O)[O-] 764134549 HIECKCBNVPLOCR-KRWDZBQOSA-N 426.517 4.086 10 20 IICD COc1ccc(N2CCC(NC[C@@H](O)COc3cccc(Cl)c3Cl)CC2)cc1 765331619 MNLYFZAIWSQUCF-QGZVFWFLSA-N 425.356 4.000 10 20 IICD Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1Br 767877527 GCJMFQLJFHNCHE-DHDCSXOGSA-N 433.352 4.262 10 20 IICD COc1cc(Br)cc(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1O 769566176 VSSFFIXMBKJNPK-UHFFFAOYSA-N 443.382 4.431 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cc(NC(=O)C(C)C)ccc3Cl)c2)CC1 770148169 QQMTZFZHZBRLLM-UHFFFAOYSA-N 428.964 4.329 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)cc1OCC(F)F 774126894 QYRZMWPBFNMONL-UHFFFAOYSA-N 449.473 4.057 10 20 IICD Cc1ccnc2c(S(=O)(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cccc12 777932366 BKTXQQDXQDEYTB-UHFFFAOYSA-N 447.507 4.092 10 20 IICD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 783482590 XPZWXLVFMXJIDD-UHFFFAOYSA-N 445.479 4.390 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)cc2)CC1 786259970 SZTUYBOAEFNLLV-KRWDZBQOSA-N 447.501 4.184 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC(OC)CC2)sc(C)c1-c1ccccc1 788458742 FCYNIHWBTINWES-UHFFFAOYSA-N 430.570 4.340 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 791250452 QVEBYIZMAWRAAA-MRXNPFEDSA-N 432.948 4.496 10 20 IICD CC(C)C[C@@H](C)n1nccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 792804187 RCFOFHBLPDVUOC-CQSZACIVSA-N 448.570 4.310 10 20 IICD O=C(NC[C@@H]1CCCN(Cc2cccc(Br)c2O)C1)OCc1ccccc1 793299141 QFPLYRLKFKTYIF-KRWDZBQOSA-N 433.346 4.293 10 20 IICD CN1C(=O)/C(=C\c2ccc(Br)cc2[N+](=O)[O-])c2cc(Br)cnc21 794881577 WXBLGPXPKZDCES-QCDXTXTGSA-N 439.063 4.032 10 20 IICD Cc1onc(-c2cccnc2)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 796746999 SLRKUSSSBOIZJH-MRXNPFEDSA-N 428.439 4.045 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3(c4cncc(Br)c4)CC3)cc2)CC1 798960058 BKMOEQUIOWIYLX-UHFFFAOYSA-N 428.374 4.428 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)cc2Cl)C1 799953683 WHNWQYZPJKPESK-XLIONFOSSA-N 447.023 4.167 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3CN3CCCC3=O)cc2Cl)C1 800720418 SPNFMXNCDZUJBW-AZUAARDMSA-N 447.023 4.263 10 20 IICD O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807180717 LOIAPGLTZGDLID-REWPJTCUSA-N 432.520 4.042 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Br 807512882 ANUMXDPJGBZNDR-UHFFFAOYSA-N 432.101 4.025 10 20 IICD COCCC1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCCCC1 807908575 LGPGWIGKDJWSGL-UHFFFAOYSA-N 430.589 4.157 10 20 IICD CC(C)(C)OC(=O)NC[C@](C)(O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 809957463 YNTUFAYARLYETA-IBGZPJMESA-N 445.507 4.480 10 20 IICD O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N=Nc2ccccc2)cc1 915304456 USFZPQITSYOZTA-UHFFFAOYSA-N 434.500 4.478 10 20 IICD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 915315762 JMVVDENFJANEQZ-UHFFFAOYSA-N 435.616 4.401 10 20 IICD O=C1/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccnc1 915852322 QVHNDGYULBOYNV-LDADJPATSA-N 426.523 4.386 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 916218405 NFXMYHQCQXPWNO-OAQYLSRUSA-N 425.964 4.461 10 20 IICD CCCCOC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 916681788 WBXOISLXVKSKJY-UHFFFAOYSA-N 443.519 4.065 10 20 IICD COc1ccc(N2CCCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1 917087780 DZLNAHZTROGKME-AREMUKBSSA-N 429.564 4.265 10 20 IICD Cc1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 918308200 FWRGURMUIVDPEQ-UHFFFAOYSA-N 444.373 4.345 10 20 IICD Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2F)c(C)n1-c1cccc(Br)c1 918587125 GLQMRYCMRANCMI-UHFFFAOYSA-N 430.277 4.347 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 918597863 VYTSJEPLBVIODG-UHFFFAOYSA-N 437.927 4.472 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1 1322380689 HRDNFACFRJPNPS-INIZCTEOSA-N 445.972 4.147 10 20 IICD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)ccc1F 1845398183 ITZSZYDDMUDMSZ-UHFFFAOYSA-N 446.526 4.067 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Br)cc1Cl 96967711 YQUBGGDANWGXIF-UHFFFAOYSA-N 430.736 4.422 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 195649010 YRLRNYUVDOIDEK-UHFFFAOYSA-N 429.948 4.443 10 20 IICD CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 583960940 CKDHTBKQWWNSKQ-GOSISDBHSA-N 446.532 4.142 10 20 IICD Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)N2CCCC2)cc1 726245010 GCYKTXKLGBVIDY-SQJMNOBHSA-N 436.600 4.029 10 20 IICD COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 726525827 WKAPEZMKEHYGMQ-UHFFFAOYSA-N 435.499 4.425 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C/c3csc(-c4ccsc4)n3)SC2=S)cc1 726628549 YUZNQIJRVZZRQH-AUWJEWJLSA-N 429.573 4.376 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727264415 RBPWVKMCOUCDHX-XSFVSMFZSA-N 443.569 4.134 10 20 IICD CC1CCN(c2ccc(CNC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)CC1 731016453 RNTCMXOVTDHJPH-UHFFFAOYSA-N 434.584 4.483 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](c3ccccc3F)c3nccn3C)cc2)CC1 731049862 SLPDVPAUSOGOOR-HSZRJFAPSA-N 435.547 4.384 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1F 731345986 OWXOODKPLYLCML-UHFFFAOYSA-N 435.425 4.201 10 20 IICD CCOCc1cc(CNCCC(=O)Nc2cc(Br)ccc2C)ccc1OC 733331824 JEXCGWRFISCYCG-UHFFFAOYSA-N 435.362 4.421 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2F)C[C@@H](C)O1 734857464 GXBQYICJHWZXOF-NOAAKOMESA-N 433.474 4.073 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 742563709 PIAQWXGLFVFXLT-LJQANCHMSA-N 437.613 4.411 10 20 IICD CN(c1ccc(CNC(=O)NCc2ccc(Cn3cncn3)cc2)cc1)C1CCCCC1 742759877 BTONAFSLZWRHEL-UHFFFAOYSA-N 432.572 4.095 10 20 IICD O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798900 COAFTLMLACKREQ-QGZVFWFLSA-N 442.466 4.056 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(-c2ccccc2F)c1 742800810 TVYNCZDBPHFWNI-MRXNPFEDSA-N 430.430 4.012 10 20 IICD Cc1ccc([C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)N2CCOCC2)cc1 745683227 VQDSIABDHYWYAH-VWLOTQADSA-N 438.616 4.055 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Oc1cccc(F)c1 745877621 CLSDILBMMGVQNY-ZDUSSCGKSA-N 425.298 4.293 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc(Cl)ccc1OC(F)F 745931852 OHRASYRNCFXJMG-UHFFFAOYSA-N 439.890 4.120 10 20 IICD Cc1nnc(-c2cccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2)o1 746313324 IMVVWRNDYRXNQL-QGZVFWFLSA-N 428.439 4.045 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(CCc1ccc(F)cc1)C1CCCC1 746948467 AHDRXDKULKFQFS-UHFFFAOYSA-N 425.548 4.359 10 20 IICD COc1ccc(Br)cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 747543807 RBRCVCBVEIIWFF-UHFFFAOYSA-N 432.362 4.398 10 20 IICD CCCc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 749405154 CYKKAYDHUWFZAY-UHFFFAOYSA-N 426.532 4.019 10 20 IICD C[C@H](NC[C@H](O)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756382876 FROHNLSVNFXECC-VFZGTOFNSA-N 433.115 4.441 10 20 IICD Cc1ccc(Br)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 761894412 RXLHEMANMABYBV-UHFFFAOYSA-N 432.362 4.288 10 20 IICD CCS(=O)(=O)C1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 767380650 XFDNPHRCGUGWNW-UHFFFAOYSA-N 428.558 4.207 10 20 IICD C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(Cc2ccccc2O)CC1 770508637 COONKZFAOCBJQU-OAHLLOKOSA-N 432.446 4.340 10 20 IICD COc1ccc(C)cc1NC(=O)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 772764244 BREJPLWTRVSURT-MBHJOXKWSA-N 433.460 4.351 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 773106724 UVUPNYMNTGUPIV-FQEVSTJZSA-N 429.630 4.165 10 20 IICD C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccc(N(C)C)cc1 773614532 AMZGTAMGDHNCGW-LEOXJPRUSA-N 434.584 4.291 10 20 IICD Cn1ccnc1C(=O)c1ccc(N(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1 775481611 CKDCRWGEEPYBKZ-UHFFFAOYSA-N 432.436 4.065 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC(Cc2ccccc2)C1 779081337 RLPRJJBQFBIWDO-UYRXBGFRSA-N 442.631 4.431 10 20 IICD COCCN1C(=O)CCc2cc(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)ccc21 779083551 MIRGEHHTXSMWCL-KRWDZBQOSA-N 443.975 4.275 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCCCC[C@H]3c3c(C)n[nH]c3C)CC2)cc1 781373064 ZDMPMPSPCDJDJD-QFIPXVFZSA-N 425.577 4.331 10 20 IICD CSCCCCCCNC(=S)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 782195627 ILEVLGOOWIWKPL-IRXDYDNUSA-N 427.655 4.327 10 20 IICD COc1ccc(OC(F)F)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782897506 XXVLAGDGRKWFAM-UHFFFAOYSA-N 448.466 4.302 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cc(Cl)ccc2OC)n1 783831226 UDFKNHWCLOOVMU-UHFFFAOYSA-N 428.894 4.421 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C2CCCCC2)cc1 784060226 AQZODVACUCHXDU-QHCPKHFHSA-N 437.540 4.131 10 20 IICD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061914 GXJIBLZYIJDDAB-UHFFFAOYSA-N 429.904 4.013 10 20 IICD CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 787867606 CLCYOVIOVWUNQP-OAQYLSRUSA-N 436.508 4.180 10 20 IICD CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)C1 788613252 OVYVWMVAEMBLRM-INIZCTEOSA-N 437.531 4.246 10 20 IICD Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1-c1ccccc1Br 799250002 FEMWEVGABWQLMW-UHFFFAOYSA-N 445.317 4.125 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2Cl)C1 800571230 HDGFOLAQXABWLW-INIZCTEOSA-N 435.996 4.450 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 802610476 BKXDHAFSLURDFH-UHFFFAOYSA-N 446.960 4.275 10 20 IICD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1cc(Cl)cc(Cl)c1O 807838486 UNEKMULOINTBRQ-AWEZNQCLSA-N 431.728 4.472 10 20 IICD C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)c1nc(N)nc(N(C)C)n1 814774153 SKGDRXADORWGCJ-CEITULEQSA-N 442.595 4.199 10 20 IICD COc1cc(Br)cc(CNCCc2cnc(SC3CCCC3)nc2)c1O 815165042 QGHJAEQNNWKRER-UHFFFAOYSA-N 438.391 4.320 10 20 IICD CCOc1ccc(CN(CC(=O)NCC(F)(F)F)c2ccc(OC)c(Cl)c2)cc1 841591005 UBFKDRQIZVXSRI-UHFFFAOYSA-N 430.854 4.432 10 20 IICD CC(C)N=c1ccccn1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914447971 GFVXAZUWSKONJK-ZPFXCLEBSA-N 431.608 4.181 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c(C)n1-c1ccccn1 917344829 NSJPWPORHCDCMN-UHFFFAOYSA-N 437.547 4.377 10 20 IICD Cc1cc(O)c(CN2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1C 917617876 XFOURUYALKSBNL-UHFFFAOYSA-N 437.544 4.242 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 918304685 SUQTYUYWQUHUES-UHFFFAOYSA-N 439.556 4.070 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(CN2CCCC2=O)c1 97427305 UWMFGUDMXYKAGJ-UHFFFAOYSA-N 434.584 4.141 10 20 IICD Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 108281972 XWMUMSMNWWBBPN-STQMWFEESA-N 425.426 4.092 10 20 IICD COc1ccc(N2CCC(NCc3cn(C)nc3-c3ccc4c(c3)OCCCO4)CC2)cc1 237277001 CAUGJNSINYXBQG-UHFFFAOYSA-N 448.567 4.016 10 20 IICD Cc1cc(-c2nc(Cc3ccccc3OC(F)F)no2)ccc1NC(=O)C1=S=CC=C1 545042158 DAXWQOQYXFZRHQ-UHFFFAOYSA-N 441.459 4.453 10 20 IICD CC(C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 725868897 FKFJZHVYDOAUIC-UHFFFAOYSA-N 439.600 4.320 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1F 726248881 DKSCWZPOLZMTTC-UHFFFAOYSA-N 444.514 4.139 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)cc1 726627776 QTZCAHDQOKXOSX-DEDYPNTBSA-N 447.541 4.165 10 20 IICD Cc1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c(C)n1-c1ccccn1 726773429 MEOMJTAQRZYKDT-UHFFFAOYSA-N 427.464 4.028 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)n2)c[nH]1 727247982 YKIIQSFRRNTHRG-UHFFFAOYSA-N 446.337 4.341 10 20 IICD CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)SC2=S)cc1 727264416 RBPWVKMCOUCDHX-ZHZULCJRSA-N 443.569 4.134 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1C 727408572 CIORHXGLURQOBI-GOSISDBHSA-N 439.581 4.144 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c1 728948128 WUKPSDDJTKAOLG-CEXWTWQISA-N 425.573 4.439 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2F)CC1 730133464 TZCRMWTVTIUXEQ-QFIPXVFZSA-N 428.527 4.153 10 20 IICD COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)c1 734072874 RYQRUSSBUIUZDI-UHFFFAOYSA-N 436.533 4.424 10 20 IICD O=c1c2ccccc2ncn1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 735231112 VSJSXJKYVAKITC-LJQANCHMSA-N 432.549 4.231 10 20 IICD C[C@@H](OC(=O)[C@H](C)c1ccsc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 738834143 IHESIEOTRCVJOX-ZIAGYGMSSA-N 433.485 4.197 10 20 IICD Cc1cc(CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 739812479 GACJZKZJPHDQME-IBGZPJMESA-N 449.938 4.134 10 20 IICD O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(S(=O)(=O)NCC2CC2)c1 740847783 ILEQTURVPVGYBO-UHFFFAOYSA-N 427.570 4.008 10 20 IICD COc1cc(C)sc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753073 IUJRXXNKBLBJQD-KRWDZBQOSA-N 433.574 4.127 10 20 IICD Cc1ccc(C2(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CCOCC2)cc1 742799258 WHLGWHZADOOPDU-FQEVSTJZSA-N 444.522 4.430 10 20 IICD O=C(Cc1ccccc1OC(F)F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742800993 ONRPNLMMMULWBT-OAHLLOKOSA-N 426.410 4.217 10 20 IICD CCC(CC)(CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)SC 743555373 WXVIYLYOKFIVDU-UHFFFAOYSA-N 433.540 4.263 10 20 IICD Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)CO1 745592905 MJUXOCPKPJYGPZ-WMZHIEFXSA-N 425.598 4.220 10 20 IICD Cc1noc(C(F)F)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 746078933 LTADVVNESURHQI-UHFFFAOYSA-N 446.406 4.139 10 20 IICD C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1cccc(F)c1 746313770 NFTJUXFTTUVSFQ-MAUKXSAKSA-N 434.458 4.421 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H]1CCCOc3ccccc31)c2[N+](=O)[O-] 749820148 HPZZZDLEXICFNR-IBGZPJMESA-N 442.427 4.014 10 20 IICD Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1C(F)(F)F 751136244 GWYMNFVIDALXDY-MRXNPFEDSA-N 429.460 4.089 10 20 IICD Fc1ccc(/C=C/CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1 757822220 GREFGYCWTGPQFS-HNQUOIGGSA-N 439.485 4.024 10 20 IICD CCC(C)(C)OCc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 758129445 MXAYNTNHNDFQEE-UHFFFAOYSA-N 443.563 4.096 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnc(Br)c(Br)c2)c1 758278748 IINWJRMSZRKSNF-MRVPVSSYSA-N 445.111 4.204 10 20 IICD C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 758738149 BHQXYOGGXZRGKL-HRAATJIYSA-N 433.499 4.068 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 760564854 HMJJGNITWRXSHS-ORAYPTAESA-N 433.451 4.427 10 20 IICD Cc1ccc([C@H]2NC(=O)N([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)cc1C 761634297 CAHJRVMZTXVVKW-AZUAARDMSA-N 429.467 4.167 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)C2CC2)cc1 762425524 QKZNRJMOFGHILK-UHFFFAOYSA-N 434.584 4.261 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1Br 762474394 RGQSMCJXWBFFCN-UHFFFAOYSA-N 442.331 4.394 10 20 IICD CCc1nc2c(s1)[C@@H](N(C)C(=O)NC1CCN(c3ccc(OC)cc3)CC1)CCC2 764354063 TVFLEQHBFVEZHJ-FQEVSTJZSA-N 428.602 4.402 10 20 IICD Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 769872816 FORAFTSXLBUHLN-PGRDOPGGSA-N 427.976 4.354 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4cccc(N5CCNC5=O)c4)no3)ccc21 770917399 HKUWIPRTKIAVPK-UHFFFAOYSA-N 431.496 4.151 10 20 IICD C[C@H](Oc1cccnc1NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 771818097 HGBRMNQJZKSOLI-IBGZPJMESA-N 432.524 4.380 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(Cl)c(Br)c1 772010056 FERWWJQDYJCGLF-UHFFFAOYSA-N 430.085 4.430 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773847180 QFACKMPJVFTRPP-AWEZNQCLSA-N 432.362 4.454 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 775770315 OJQHVFHGEYWKIR-NRFANRHFSA-N 429.948 4.232 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 776190695 FGEXDRLCGZHJQI-LJQANCHMSA-N 444.597 4.407 10 20 IICD Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1cccc(Cl)c1 777423565 CBONZENGUGVPOO-HXUWFJFHSA-N 425.916 4.361 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1ccc2c(c1)OCO2 778081249 OPHFBASXTIPICF-UHFFFAOYSA-N 439.312 4.102 10 20 IICD COc1cccc2[nH]cc(CC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 778681478 AEGQSZUCSVUSGC-INIZCTEOSA-N 429.467 4.106 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 779149901 PMLRPQLBPRPMIX-UHFFFAOYSA-N 444.526 4.008 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 779504837 DZMOUUKCHWBQHK-WMZJFQQLSA-N 434.879 4.492 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 782816082 BCWRLBOIHIOCFW-UHFFFAOYSA-N 436.556 4.234 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc(Br)cc(C)c3O)c2)CC1 783299785 WFSNJMMGYAMCRB-OAHLLOKOSA-N 432.362 4.305 10 20 IICD Cc1occc1-c1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 786215766 XDZBGMMDGZSOSO-KBPBESRZSA-N 428.464 4.317 10 20 IICD CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 789011528 PAYPSYQLJGMOFL-AWEZNQCLSA-N 445.496 4.368 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)C2(SC)CC2)sc(C)c1-c1ccccc1 789208578 BPIULLNZGOWMPT-UHFFFAOYSA-N 433.551 4.278 10 20 IICD Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccc(Br)cc1 791075397 XONLKRYTRJDGQC-INIZCTEOSA-N 447.373 4.267 10 20 IICD O=C([C@H]1Cc2cc(Br)ccc2O1)N(Cc1ccco1)Cc1ccccc1O 792227438 ZZUIVGPGNLIYJM-HXUWFJFHSA-N 428.282 4.280 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc([S@](C)=O)cc3)cc2Cl)C1 799994486 BFOYSGTVGPDTDI-OFJJUDJNSA-N 434.005 4.313 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCc2cc(F)ccc21 801076352 HTAARRRLGHUIOH-ATVHPVEESA-N 432.567 4.458 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C2CC2)cc1 803842412 QEYQMEFLTBXVKN-HXUWFJFHSA-N 444.000 4.250 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c(OC)c1 806170551 WAPHKRUYEFQSSR-YVEFUNNKSA-N 439.339 4.168 10 20 IICD CC[C@@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 806458431 YFGAKXPKKVGOAD-NRFANRHFSA-N 429.536 4.088 10 20 IICD COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)=O)cc1 808489269 KHSMTKPSBAJXBG-NBVRZTHBSA-N 429.472 4.435 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(CN3CCCC3)on2)cc1 813447471 GELUKEJIRXESAH-UHFFFAOYSA-N 434.540 4.192 10 20 IICD OC[C@H]1Cc2ccccc2N(Cc2cc(Br)cc(Br)c2O)C1 814169972 QNRLCCNSPMJYLN-NSHDSACASA-N 427.136 4.088 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CCc2ccccc2)c2ccccc2O)cc1 815616419 OENUAAVAUPZWHK-QFIPXVFZSA-N 440.521 4.038 10 20 IICD COc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 915779095 UTGMNIQYYMTRLD-UHFFFAOYSA-N 445.519 4.343 10 20 IICD C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 916514711 KEKGFKUVLGIACY-QHCPKHFHSA-N 449.643 4.029 10 20 IICD CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918117277 BSTHFPBVZVDXSW-QGZVFWFLSA-N 449.382 4.037 10 20 IICD CCCOc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918205920 XCEJVVQBOZIPQF-QZTJIDSGSA-N 429.536 4.228 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCOc3ccccc3)cc2F)C[C@@H](C)O1 918223280 ZCRSIFMQTWSTBQ-RTBURBONSA-N 429.536 4.050 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920870905 UOOYZYQEGZCYFS-DLBZAZTESA-N 431.964 4.171 10 20 IICD C[C@@H](NC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 920872992 UOGKDASSLQELKC-OAHLLOKOSA-N 436.478 4.491 10 20 IICD Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 920886226 DCPSTPGDIAZERL-SFHVURJKSA-N 442.581 4.083 10 20 IICD Cc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1N1CCN(C)CC1 1115855747 PZAKBDOOVVYALI-UHFFFAOYSA-N 434.540 4.280 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3OC)c2C)SC1=S 1317742809 LYEXJHKPUVCWSZ-UYRXBGFRSA-N 444.578 4.257 10 20 IICD COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1-c1ccccc1 1320524071 PPBAKIPDGLOZIR-UHFFFAOYSA-N 429.520 4.283 10 20 IICD Cc1csc([C@@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)n1 1323792297 LXTBNBMLYVVSHF-QKKBWIMNSA-N 445.544 4.295 10 20 IICD COc1cc(CCNC(=O)CSc2ncc(-c3ccccc3)n2C)ccc1OC(F)F 10089008 XJKWFHQRIYYJFQ-UHFFFAOYSA-N 447.507 4.148 10 20 IICD Cc1ccc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1C 16207093 KYTFBRGTFBODMN-UHFFFAOYSA-N 443.411 4.027 10 20 IICD COc1cc(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc(OC)c1OC 72043692 UFTNFGVDTXXPKS-UHFFFAOYSA-N 426.557 4.340 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(COc2ccccc2)cc1 303029659 TUAHIOCBWGUKOA-UHFFFAOYSA-N 430.548 4.404 10 20 IICD Cc1c(CNC(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)n(C)c2ccccc12 472222749 OBUBVUHBNDTDAR-LJQANCHMSA-N 444.535 4.337 10 20 IICD COc1nc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc2ccccc12 726565368 DZLBYMDLSNYZMB-UHFFFAOYSA-N 427.451 4.244 10 20 IICD Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726600780 ITMODHCQUNTUNP-UHFFFAOYSA-N 430.904 4.197 10 20 IICD C[C@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1ccc(N2CCOCC2)cc1 726917089 XYPCDFKXTGNROR-INIZCTEOSA-N 425.529 4.201 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)c1 729063291 IMPQWLJRKXULRA-XGHQBKJUSA-N 440.540 4.312 10 20 IICD C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 730480432 AGLDMNFGSROAGF-AWEZNQCLSA-N 425.331 4.464 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(F)ccc1F 732918247 ASMKXFKMLDYDTA-INIZCTEOSA-N 427.474 4.071 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCN(C3CCC3)CC2)sc(C)c1-c1ccccc1 734151436 HYKDTJNVFDCMIM-UHFFFAOYSA-N 441.597 4.009 10 20 IICD C[C@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(N2CCOCC2)cc1 734272365 QMWWIKUOPFOYDW-SFHVURJKSA-N 433.556 4.050 10 20 IICD Cc1cc(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 734454136 OXLSYMYRFUNJJD-UHFFFAOYSA-N 435.955 4.407 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(-c4c(F)cccc4F)o3)cc2)C1 734506306 CVAFTAVNPTWRKG-QGZVFWFLSA-N 425.479 4.216 10 20 IICD CN1CCCc2cc(CNC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc21 737821152 PMEFVMSKYGXBAM-RUZDIDTESA-N 443.547 4.353 10 20 IICD O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O 741096048 YQVGGRKXLUJPRI-UHFFFAOYSA-N 438.455 4.081 10 20 IICD Cc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1NS(C)(=O)=O 743341293 KAGHEYPVRUJIDV-UHFFFAOYSA-N 444.601 4.457 10 20 IICD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1c(O)ccc2c1CCCC2 743719690 OPCNIKTWWCJXKY-UHFFFAOYSA-N 448.592 4.197 10 20 IICD COc1ccc(Cl)cc1NCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 743861947 XEIOUASRELGDTK-HOTGVXAUSA-N 449.954 4.220 10 20 IICD C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 744859435 RESHJWWUWUVPPS-LJQANCHMSA-N 445.007 4.011 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@@H]1c1ccccc1 745903669 IPAQRFAFEQZOEP-WIYYLYMNSA-N 431.483 4.040 10 20 IICD CCOc1ccc(CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C(C)C)cc1 746044202 KEWUEAMSDNUJJJ-UHFFFAOYSA-N 440.584 4.236 10 20 IICD COCCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(OC)c(OC)c1 746474646 JNGGLOMLMRXJPE-UHFFFAOYSA-N 441.572 4.176 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 749129201 WMIFHXODNZGTPY-DVECYGJZSA-N 445.554 4.308 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)CC2)cc1 751092525 XYYSCQJXOOIRRS-NZQKXSOJSA-N 436.600 4.016 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1 751781626 KAUSUGSLZSIGMJ-NRFANRHFSA-N 434.584 4.359 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1 752877735 GHOPGBOXNDCOST-OAHLLOKOSA-N 445.516 4.187 10 20 IICD Cc1cc(C(=O)N2CCC(Cn3ccnn3)CC2)c(C)n1-c1ccccc1Br 753740441 QMHXVTQSXYGLON-UHFFFAOYSA-N 442.361 4.001 10 20 IICD CSCC[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1O)c1nnc2ccccn12 756365218 NYOWYQYCNCECJU-XHDPSFHLSA-N 439.354 4.482 10 20 IICD C[C@H](NC[C@H](O)c1ccccc1F)c1cc(Br)cc(Br)c1O 756460317 PHPBNZOIMHYHOU-VFZGTOFNSA-N 433.115 4.441 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 758415703 JXRSKLVGDVKSHF-FHHIAAGZSA-N 427.547 4.071 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1ccc(Oc2ccc(Br)cc2)nc1 762267779 QXVGJGHPJBPSRK-UHFFFAOYSA-N 429.270 4.020 10 20 IICD CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C1CC1 763139141 VMCIZJRDHZERJW-GOSISDBHSA-N 437.588 4.223 10 20 IICD COC1(c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)CCCC1 763357437 JJJYUHXMUBBKFO-WYMLVPIESA-N 435.596 4.381 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)c1ccc(OC)c(OC)c1 769149233 FEEAYXYAWTYQOX-UHFFFAOYSA-N 436.346 4.498 10 20 IICD COc1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1F 770304874 CCIWWIXWJAUOPO-UHFFFAOYSA-N 443.526 4.404 10 20 IICD C[C@@H]1CN(c2ccnc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2)C[C@@H](C)O1 770824805 SUPNCOTWFAVJJE-WOJBJXKFSA-N 448.567 4.197 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](CC(C)C)c3cc(Cl)ccc3OC)nc12 775455922 VRDWZQZXGHLHLZ-GOSISDBHSA-N 446.935 4.151 10 20 IICD Cc1ccc(CNC(=O)C2CCN(Cc3cc(Br)cc(C)c3O)CC2)cc1 775665439 BKXYOKXYILHHDN-UHFFFAOYSA-N 431.374 4.300 10 20 IICD C[C@H](Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(N2CCOCC2)c(F)c1 777241680 MFNVNEVYAMFJPB-IBGZPJMESA-N 427.564 4.040 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 777826631 OVRCDJPQRCHFTH-RBUKOAKNSA-N 427.508 4.397 10 20 IICD COc1cc(Br)c(F)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 779797210 BWOWZYQPLFNYEQ-UHFFFAOYSA-N 433.280 4.114 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CCN(CC(F)(F)F)CC1 780628433 UYMKWPDLYLDLLB-UHFFFAOYSA-N 426.527 4.093 10 20 IICD COc1cc(-c2ccccc2)ccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 781411167 CHYARIZVBVVPPN-DEOSSOPVSA-N 429.564 4.354 10 20 IICD CC[C@@H](Nc1cccc(N2CCN(C(C)=O)CC2)c1)c1cc(Br)ccc1O 783298635 NNYSXXTYEJBYIX-HXUWFJFHSA-N 432.362 4.386 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cc2sc(N3CCCC3)nc2s1 793967596 FAVWONSZJDXWOW-UHFFFAOYSA-N 438.372 4.356 10 20 IICD O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2c1COC2=O 800047487 MANIMSVVAIZSMA-UHFFFAOYSA-N 427.865 4.042 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3S(C)(=O)=O)cc2Cl)C1 800517741 RDQUACPDMZHJMG-HNNXBMFYSA-N 435.977 4.302 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cnc1Cl 800635893 APXZZILQYOHXPH-ZDUSSCGKSA-N 435.355 4.188 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc4c(nc3O)CCC4)cc2Cl)C1 800706723 HFEWRUSEUFBPSI-HNNXBMFYSA-N 428.964 4.165 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccsc1Br 800998170 SJCXUCCVERZPRJ-UHFFFAOYSA-N 426.405 4.063 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 801548817 RQQAXWMDEPWMJF-UHFFFAOYSA-N 430.455 4.325 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCn1c(S)nnc1-c1ccc(OC)cc1 801550906 DXCZBUGHEAVHDO-UHFFFAOYSA-N 440.569 4.167 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cccc(C(=O)NC(N)=O)c2)cc1 802328644 WHMZIPVQXNYBOS-UHFFFAOYSA-N 430.468 4.229 10 20 IICD C[C@H](NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)cc1 804989729 QEPHYUBQNJRRSC-INIZCTEOSA-N 433.499 4.019 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCN(Cc2cccs2)CC1 805028070 WSODDNBXDBEBBA-UHFFFAOYSA-N 428.385 4.472 10 20 IICD CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807530339 DKSPHMGHOYGAMI-UHFFFAOYSA-N 425.233 4.487 10 20 IICD COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 808968648 UUIDBVCWEZHWFD-QHCPKHFHSA-N 437.584 4.156 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CN2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c1O 809767350 INGXMTQXOMCTPD-IRXDYDNUSA-N 438.858 4.333 10 20 IICD Cc1cc(C(=O)NCc2noc(C(F)(F)F)n2)c(C)n1-c1ccccc1Br 819562931 CGPFIUBIYPYREA-UHFFFAOYSA-N 443.223 4.188 10 20 IICD COc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F 857464802 PHXDLLFVXSUKGC-OAHLLOKOSA-N 440.437 4.260 10 20 IICD C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 857758402 GHMKCTWUDHQIOQ-SFTDATJTSA-N 431.580 4.374 10 20 IICD C[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914110013 YBVGVVPPSQVFME-JXCQQFQQSA-N 439.400 4.051 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 915082346 CGFZXCKPYYLRDV-UHFFFAOYSA-N 426.520 4.444 10 20 IICD Cc1cc(CCNC(=O)Nc2ccccc2CN2CCOCC2)c(C)n1-c1ccccc1 916718806 UMVAIBBVNFCIAA-UHFFFAOYSA-N 432.568 4.291 10 20 IICD C[C@H]1CN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn34)cc2F)C[C@H](C)O1 917087332 ZCVZPDKNLWOLSM-IRXDYDNUSA-N 432.503 4.156 10 20 IICD COc1cc2nc(CC(=O)c3cc(C)n(-c4ccccc4F)c3C)nc(O)c2cc1OC 917262392 WDSGAJVNXXUEBD-UHFFFAOYSA-N 435.455 4.325 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3c(F)cc(F)cc3F)cc2F)C[C@H](C)O1 917443106 PLMHTCGPFJWSRP-STQMWFEESA-N 442.478 4.265 10 20 IICD CCc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 919391656 ANCORCYTYLJJSB-UHFFFAOYSA-N 442.313 4.249 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1Cl 919775391 RHKFDAWAVWZNHF-UHFFFAOYSA-N 444.963 4.233 10 20 IICD O=C(O)c1cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc2c1OCCO2 919954261 GSNFCUKCCOWFND-UHFFFAOYSA-N 439.449 4.372 10 20 IICD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 920482558 STFHKGFSXAXDJB-UHFFFAOYSA-N 430.551 4.306 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC2)cc1 1323605530 NYGXXYBOBGLQPA-UHFFFAOYSA-N 429.492 4.449 10 20 IICD CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 1325052512 FSSJXTJNIKRAIU-HXUWFJFHSA-N 433.556 4.412 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1 1340944548 HKKRNVTUONUSRZ-UHFFFAOYSA-N 425.916 4.285 10 20 IICD Cc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1785940122 JJSQFOJWAZJRGX-UHFFFAOYSA-N 435.455 4.002 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)ccc21 482867678 JVAPANLFUYSOOR-IAGOWNOFSA-N 436.556 4.165 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 727562271 VXIMKZOSZGMDKL-UHFFFAOYSA-N 443.956 4.345 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)ccc21 728461169 RUGGQUOIWRCFMR-UHFFFAOYSA-N 447.457 4.449 10 20 IICD COc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 729596995 ODXRDCOXLNVNQQ-ROUUACIJSA-N 443.563 4.268 10 20 IICD O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2ccco2)Cc2ccccc2O)s1 731844292 NZEQBJGNRLNMNA-UHFFFAOYSA-N 438.484 4.431 10 20 IICD O=C(Nc1ccccc1)C1CCN(C(=O)CN(Cc2ccccc2O)C2CCCC2)CC1 731848400 XUVUNTLRPAQYNG-UHFFFAOYSA-N 435.568 4.014 10 20 IICD CCOCCCN1CC[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@H](C)C1 734666009 SHNCRJOFDFONCB-BWKNWUBXSA-N 444.664 4.392 10 20 IICD COc1cc(CCc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)n[nH]2)cc(OC)c1 735690193 MCPKWXFETVBHFY-UHFFFAOYSA-N 445.523 4.267 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc1 739552202 PEQLGZULFPEJTK-UHFFFAOYSA-N 431.499 4.337 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 740919715 JPDLCHXAZNRIJD-NRFANRHFSA-N 442.357 4.108 10 20 IICD COc1cc(N(C)Cc2csc(-c3cccc(OC)c3OC)n2)cc(OC)c1OC 741799048 SUSHQZHQVLFQBF-UHFFFAOYSA-N 430.526 4.490 10 20 IICD C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742754185 NMAPWQVQWCFXAL-IIBYNOLFSA-N 445.535 4.041 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(OC[C@H]2CCCO2)c1 742797503 DLPKAGFGQZVLGP-XMSQKQJNSA-N 446.494 4.245 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1 742953616 LECGUUJJLBLIKX-UHFFFAOYSA-N 446.956 4.423 10 20 IICD C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 743554631 JMBPBMDOBVOGAI-UNMCSNQZSA-N 433.474 4.071 10 20 IICD O=C(NCCc1cccc(F)c1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743608343 ZTGHAYWGWVQVQA-HNNXBMFYSA-N 425.426 4.077 10 20 IICD CCN(Cc1nc(-c2ccc(OC)cc2OC)no1)Cc1cc(Br)ccc1O 743871251 YUKPMQHWDZYGTE-UHFFFAOYSA-N 448.317 4.244 10 20 IICD COc1cc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1O 745514478 ZLRZUAMUQWWYMP-KHPPLWFESA-N 435.476 4.256 10 20 IICD O=C(CCc1cc(F)ccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 752640092 AKQHXULSZKDJEB-GOSISDBHSA-N 436.321 4.434 10 20 IICD C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nc(Cc2ccccc2)no1 753040427 WLPLWJYXZJUTID-QGZVFWFLSA-N 432.480 4.432 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3OCC(F)(F)F)CC2)cc1F 753880295 DFAJDRZPPAKZMV-UHFFFAOYSA-N 441.425 4.438 10 20 IICD Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(Br)n1 756640327 UDDXJBDFZPMQNL-UHFFFAOYSA-N 430.268 4.423 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 758415706 JXRSKLVGDVKSHF-WBFOAEISSA-N 427.547 4.071 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1COc2ccc(Br)cc21 759895835 ICOUVVNOIWCYFL-OAHLLOKOSA-N 435.281 4.274 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3C)CC2)cc(OC)c1OC 759955195 UYMORMVBHAHSJK-UHFFFAOYSA-N 443.544 4.162 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1O[C@H]1CCOC1 760066173 PLWISDIOPQPVDV-INIZCTEOSA-N 435.318 4.376 10 20 IICD Cc1ccc([C@H]2NC(=O)N([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)cc1C 761634307 CAHJRVMZTXVVKW-UYAOXDASSA-N 429.467 4.167 10 20 IICD CCOc1cccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1O 761992778 QBPUYBMLTBHIAC-UHFFFAOYSA-N 430.501 4.021 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1cccc(C)c1 767931353 RPGORRVUGGGETQ-UHFFFAOYSA-N 446.595 4.272 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)c1 767986129 CQHBHQUCZIPGIX-MRXNPFEDSA-N 442.491 4.397 10 20 IICD CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 768443855 VFUDMLCRQBHFCL-OAQYLSRUSA-N 427.541 4.358 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccn(-c4ccccc4Cl)n3)CC2)cc1 769006277 BVPVCNKBMJLPBF-UHFFFAOYSA-N 425.920 4.325 10 20 IICD O=C(NC1CCCCC1)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 769165000 NIRNCMHLUCQZKH-UHFFFAOYSA-N 428.577 4.246 10 20 IICD Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)n1-c1cccc(Cl)c1 769316951 QCYJNXKYVMUDMA-XZOQPEGZSA-N 429.992 4.245 10 20 IICD C[C@@H](NCc1nnc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 775261653 WQTGJWWZVKKGRK-OAHLLOKOSA-N 443.345 4.187 10 20 IICD COc1ccc(-c2nnc(NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)s2)cc1 775833496 JZYFSPASTMEGCC-UHFFFAOYSA-N 439.541 4.013 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cc(F)c(F)c(F)c3)cc2F)C[C@@H](C)O1 776895491 ATFBPLMMWMAJME-OKILXGFUSA-N 439.453 4.198 10 20 IICD COc1c([N+](=O)[O-])cc(N2C[C@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1Br 779936200 NBXJINWHRWBMAJ-HTQZYQBOSA-N 442.188 4.441 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c12 782321754 WRSLTZQDUIGGRU-CALCHBBNSA-N 439.531 4.178 10 20 IICD COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)c1 784006146 CNMYTAKRLNPKLP-IQGLISFBSA-N 438.568 4.019 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1F 790611237 VXFOXZKIDHUFKQ-RUZDIDTESA-N 438.547 4.187 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1Cc2cc(Br)ccc2O1 791629458 WLLUNLBWFLUEGV-QGZVFWFLSA-N 435.281 4.101 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4sc(N5CCCC5)nc4s3)CC2)cc1 793136235 AVCDTVTZGQLUSE-UHFFFAOYSA-N 442.610 4.319 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 797647457 HRXFEGSGUUWMOQ-HWPZZCPQSA-N 434.361 4.233 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc([C@@H](C)O)s3)c2C)cc1 798690939 IBLUBMFSOJJPDD-OAHLLOKOSA-N 428.510 4.042 10 20 IICD Oc1cc2c(cc1CN1CCC(F)(c3ccccc3OC(F)(F)F)CC1)[C@H](O)CO2 799145708 ISYODWSRLAVHMZ-QGZVFWFLSA-N 427.394 4.177 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 799200763 KKQVJZWEJNJONI-LFIBNONCSA-N 432.479 4.009 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1cc(Br)c2c(c1)OCCO2 802040756 KDGSIITUNGAMFG-UHFFFAOYSA-N 449.345 4.438 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C 802610463 ARRYRYFNYPMOCW-UHFFFAOYSA-N 440.931 4.307 10 20 IICD C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C(=O)NCCCSc1nccs1 806276564 HCGHUVSCUNFDKT-CHWSQXEVSA-N 445.532 4.069 10 20 IICD COc1ccc(N2CCCN(c3nnc(C4CCCC4)n3C[C@@H]3CCCCO3)CC2)cc1 812430976 VROBBMVJNMJOJQ-QHCPKHFHSA-N 439.604 4.230 10 20 IICD O=C(NCc1ccccc1)NC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 813683863 FVTIRXFDJWSNOA-UHFFFAOYSA-N 436.339 4.127 10 20 IICD O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 814361602 XGONPSRUWWPTEN-UHFFFAOYSA-N 442.882 4.116 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 906597609 QGUXUTXKEFNNAY-UHFFFAOYSA-N 439.556 4.071 10 20 IICD CC(=O)Nc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 913931714 XJVQEKUTXMCMAD-ATVHPVEESA-N 445.591 4.327 10 20 IICD Cc1ccccc1CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914440175 YDLQUONBNAAKFY-JXAWBTAJSA-N 430.620 4.397 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1 917116828 CJKIPHNXFXOAJO-UHFFFAOYSA-N 441.578 4.079 10 20 IICD Cc1cc(C(=O)NCCc2cn3ccccc3n2)c(C)n1-c1cccc(Br)c1 917998709 LOGPCUYYPURXHB-UHFFFAOYSA-N 437.341 4.477 10 20 IICD COC(=O)c1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919654517 HDMANFAPNDWHSZ-UHFFFAOYSA-N 435.524 4.087 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920870911 UOOYZYQEGZCYFS-IRXDYDNUSA-N 431.964 4.171 10 20 IICD C[C@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 920920936 RROOXANJEUIVPT-RXVVDRJESA-N 429.586 4.037 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cc4sc(N5CCCC5)nc4s3)CC2)cc1 1116868008 RGTFRCCQBFQVJX-UHFFFAOYSA-N 442.610 4.319 10 20 IICD CC(=O)Nc1sc(NCc2ccc(N3CCN(C)CC3)c(F)c2)nc1-c1ccccc1 1324136719 RMFUYOXSMWZXAF-UHFFFAOYSA-N 439.560 4.272 10 20 IICD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1327884265 GDIUYCBUSINDTE-QFIPXVFZSA-N 443.486 4.410 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)c1C 27397811 UCVWMWHYMZCYPE-UHFFFAOYSA-N 432.549 4.437 10 20 IICD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 117691033 LVDWMZFEGUHRJC-XMMPIXPASA-N 428.488 4.230 10 20 IICD CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 303249976 ANEHTAGXEFBORT-HXUWFJFHSA-N 430.593 4.248 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccn(Cc4ccccc4)c3=O)ccc21 446507744 LGZDSTIMBBPIKZ-UHFFFAOYSA-N 429.520 4.367 10 20 IICD Cc1ccc2c(C3=CCN(c4ncccc4S(=O)(=O)N4CCCCC4)CC3)c[nH]c2c1 595535856 XDNHZUPFCFMRHV-UHFFFAOYSA-N 436.581 4.340 10 20 IICD COc1ccc(N2CCC(NC(=O)N(CCN(C)C)Cc3cccc(Cl)c3)CC2)cc1 726713757 QWDRHJXWSQGTBC-UHFFFAOYSA-N 445.007 4.091 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 727246143 IYIHXKADVLXZIR-UHFFFAOYSA-N 444.868 4.329 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c1 728983949 HZUZVZSLCHCQMS-STQMWFEESA-N 441.553 4.046 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1 729532113 YHQCGXQPLXSNHC-UHFFFAOYSA-N 432.586 4.255 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)CCc3ccc(Br)cc3)CC2)cc1 730127686 UPECERTXBOJRFT-UHFFFAOYSA-N 446.389 4.311 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)CSCCS(C)(=O)=O)c2C)ccc1Br 730465889 DSAYWYSBQPXSSE-UHFFFAOYSA-N 444.416 4.126 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccccc3S(=O)(=O)C(F)F)cc2F)C[C@@H](C)O1 731979462 RJKYAHLSCRMYJE-OKILXGFUSA-N 428.476 4.048 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 734688895 UCAJOSMIPCBSHX-UHFFFAOYSA-N 449.382 4.035 10 20 IICD Cc1cc(I)ccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 741055980 YNSOZADXSCFDPV-UHFFFAOYSA-N 433.293 4.298 10 20 IICD Cc1ccc([C@@H](NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 741734534 GDVWXVSJGWYBEU-AREMUKBSSA-N 449.620 4.231 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2Cl)NC(=O)OC(C)(C)C)cc1 742751147 RVDYFHMGEODCLD-IBGZPJMESA-N 447.963 4.167 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 743808467 XZNRTVDNUFNQOE-UHFFFAOYSA-N 425.304 4.447 10 20 IICD CSc1ccc(F)cc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 745647698 GTLFNCFODNOHMW-GJZGRUSLSA-N 435.540 4.300 10 20 IICD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)ccc21 748673431 ISNAXRWQAHCZDW-UHFFFAOYSA-N 441.578 4.445 10 20 IICD COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1F 753738039 LEGGGYWKHLKBNM-ZWKOTPCHSA-N 433.321 4.049 10 20 IICD C[C@@H](Nc1cccc2c1CCN(CC(C)(C)O)C2)c1ccc(N2CCOCC2)cc1Cl 753757120 UWYPIDNMOFDOEB-GOSISDBHSA-N 444.019 4.479 10 20 IICD O=C(Nc1ncc(Cc2ccccc2)s1)C(=O)N(Cc1ccco1)Cc1ccccc1O 756074844 AEAODUKCQOKEJH-UHFFFAOYSA-N 447.516 4.200 10 20 IICD COc1cc([C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)ccc1OCCO 756458500 MXDNVYLRADXMPZ-RYUDHWBXSA-N 428.298 4.085 10 20 IICD CCOC(=O)c1c(NC(=O)C(=O)c2cnn(CC)c2)sc(C)c1-c1ccc(C)cc1 759770210 HPQXSRZMXGGYJG-UHFFFAOYSA-N 425.510 4.246 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCc4ccc(OC(F)(F)F)cc43)cc2)C1 765256071 SMCDDACDIIYMPD-UTKZUKDTSA-N 433.474 4.064 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)c(Cl)c1F 767687367 SAPDEFZDLJPGJZ-UHFFFAOYSA-N 427.701 4.008 10 20 IICD Cc1coc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12 773368891 GMWQNALXMSJUTF-MRXNPFEDSA-N 443.450 4.066 10 20 IICD C[C@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(N2CCOCC2)cc1 775254804 JSFMIVNWFWNIFS-NRFANRHFSA-N 436.600 4.193 10 20 IICD C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 776237632 HSDOBRWXAYYBHE-QZTJIDSGSA-N 441.551 4.196 10 20 IICD CN(CC(N)=O)C(=O)c1cccc(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 790637742 NQJKWPCJXSLUCK-UHFFFAOYSA-N 425.573 4.157 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1nc(SC)n2ccccc12 791247622 GXTMJFZSTRBZPZ-UHFFFAOYSA-N 440.569 4.058 10 20 IICD O[C@H]1CCN(Cc2ccccc2CNCc2ccc3c(c2)CCN3Cc2ccccc2)C1 796341921 FWHWIHGWZHXMIN-MHZLTWQESA-N 427.592 4.106 10 20 IICD COC(=O)c1csc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 796693186 FTSLLAYKRRSXQH-ZDUSSCGKSA-N 428.476 4.241 10 20 IICD COc1cc(Br)c(/C=C2/SC(=S)N(CCCSC)C2=O)cc1O 799200620 DDNOQLYLCNIWNN-NTUHNPAUSA-N 434.402 4.118 10 20 IICD CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800494280 VRFWFEGRSBJCRI-DLBZAZTESA-N 436.021 4.335 10 20 IICD O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3Br)cc2)SC1=S 800791323 LRSHWBGIUJIPJR-DHDCSXOGSA-N 434.336 4.402 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 802609431 APKLCHUPJKJROY-WJOKGBTCSA-N 444.597 4.207 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)c2)CC1 807264705 OKRQDMYRCVKGFB-UHFFFAOYSA-N 445.445 4.150 10 20 IICD COC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(Cl)c1 808237699 BYPRJEZEISDXSX-ZOCZFRKYSA-N 449.954 4.280 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1cccc(Br)c1 813509143 VLWCWDURWGVJLX-GFCCVEGCSA-N 440.721 4.113 10 20 IICD CC(=O)c1cccc(OCc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)no2)c1 813683030 QHKQWGSHJKYZJZ-UHFFFAOYSA-N 435.263 4.399 10 20 IICD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 813816253 OMYIAMMHDSERFU-ROUUACIJSA-N 447.507 4.045 10 20 IICD COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1 915222798 ZWCQBFQMQNDIKF-UHFFFAOYSA-N 438.914 4.060 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1cccs1 917618957 JRVZLMNYJKOXEV-GZTJUZNOSA-N 449.575 4.402 10 20 IICD COc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918108760 OKOJNZYPRNUFBR-OAHLLOKOSA-N 437.462 4.111 10 20 IICD Fc1cc(CNCc2c(F)cccc2Cl)ccc1N1CCN(c2ncccn2)CC1 920180741 VQNOREXTKOVWGT-UHFFFAOYSA-N 429.902 4.025 10 20 IICD CCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 920881254 SKNLBMXRYNWHHU-QGZVFWFLSA-N 438.959 4.416 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(-c2ccccc2)oc1C1CC1 1318972766 DZBUTFZJZDFPLH-UHFFFAOYSA-N 431.536 4.358 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1cccc(F)c1F 1319629771 WFTNYUPFFAEJEB-GZTJUZNOSA-N 436.480 4.346 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c1 1325222532 NBRQYJGAPPFJQZ-GOSISDBHSA-N 439.943 4.488 10 20 IICD O=C(COC(=O)c1cc(Cl)ccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 18799096 PVIMSUJLBJGSIC-UHFFFAOYSA-N 437.810 4.050 10 20 IICD COc1ccc(OCc2ccccn2)c(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 237295055 BIADXCXTBBXOMK-UHFFFAOYSA-N 447.579 4.168 10 20 IICD CN(C)c1cc(C(F)(F)F)nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 301112542 VXJKQYAOBCZOBF-UHFFFAOYSA-N 449.399 4.029 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)c3nc(-c4ccccc4)no3)ccc21 535547706 IRTXSASTMLBNFT-INIZCTEOSA-N 432.524 4.488 10 20 IICD Cc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726600950 LLXLABWICCUSKY-UHFFFAOYSA-N 430.904 4.197 10 20 IICD O=C(NCCCc1nc2ccccc2[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612108 YHVMNZYYRCGJFX-UHFFFAOYSA-N 443.498 4.065 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)cc4c3O[C@H](C)C4)SC2=S)cc1 727860959 LBNYJSUDRMAOGZ-KELUXRKGSA-N 441.574 4.471 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 728948921 KHMOZWRLTQDYNO-CABCVRRESA-N 448.361 4.050 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)c2cc(Br)ccc2OC)c1 728980276 ZJKBSXQPDRKCHY-LBPRGKRZSA-N 436.302 4.012 10 20 IICD CC(C)COc1ccc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 730174911 PSDQITUQIUBILC-OALUTQOASA-N 428.548 4.333 10 20 IICD COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 734018337 NMNLEPLKIPCTQO-CVDCTZTESA-N 436.533 4.181 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C 734702306 VWNYFEALGJKXET-UHFFFAOYSA-N 437.462 4.124 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1SCC(F)F 738956301 WNJBLVHSZXWUKU-UHFFFAOYSA-N 443.466 4.480 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cc2C[C@H]1C 740609089 CBCREEIWIGTIKB-QGZVFWFLSA-N 427.570 4.021 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(C(C)C)c2)nc1-c1ccc(OC(F)F)cc1 743046228 QMCUIPCMWXGODE-UHFFFAOYSA-N 428.486 4.298 10 20 IICD CCNC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743099376 USMKSXGVOPAUAF-QGZVFWFLSA-N 446.498 4.137 10 20 IICD COc1cccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1O 743331723 BYGSZKFAIFREIM-WIOPSUGQSA-N 444.531 4.197 10 20 IICD CCCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1OCCC 743956321 QMVWQCWCLHWKMS-UHFFFAOYSA-N 440.540 4.104 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCOc2ccc(Br)cc2)C2CC2)cc1 744866338 RBDMFZOWGSRPMH-UHFFFAOYSA-N 432.362 4.268 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c1C 746873389 YYYXYESPHDFLBG-FQEVSTJZSA-N 440.341 4.121 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Cl)cc(Br)c1 747417698 XJWBAGKJIORDSS-UHFFFAOYSA-N 437.765 4.241 10 20 IICD COC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCCCO2)C1 752842295 ARQUBVDLTGLDSU-JTHBVZDNSA-N 449.599 4.394 10 20 IICD Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 754535352 JLSOSPUQWDXQPU-UHFFFAOYSA-N 444.512 4.081 10 20 IICD C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 755228443 SRXDSZMVPHVDQR-CYBMUJFWSA-N 441.416 4.462 10 20 IICD CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757012195 WEJZWTFLDUATCF-FPOVZHCZSA-N 430.593 4.122 10 20 IICD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 759034235 YYIIIHGKCNMQKD-FQEVSTJZSA-N 432.568 4.005 10 20 IICD C[C@H](O)C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 759573565 MSAQEMKAAQKVOQ-HKUYNNGSSA-N 447.526 4.111 10 20 IICD O=C(NCCCSc1nccs1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 759575925 VOIUXUOZKCINFU-UHFFFAOYSA-N 442.557 4.195 10 20 IICD C[C@@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccc(N2CCOCC2)cc1 760398671 ACSSAXXJVHDOMK-MRXNPFEDSA-N 444.457 4.219 10 20 IICD CCSc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 763428042 VFKFVHSZRVSYFE-INIZCTEOSA-N 431.989 4.084 10 20 IICD C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O 769291230 KUBLKVXRYJDTLF-CQSZACIVSA-N 429.314 4.018 10 20 IICD CC(C)(C)c1nnc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cn12 769368702 OXMBERMBXZASLB-UHFFFAOYSA-N 443.498 4.027 10 20 IICD CC[C@H]1c2ccsc2CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769688582 AIBGJUMKYXWOJM-INIZCTEOSA-N 448.591 4.466 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)c2)CC1 770148105 OSGQHXCJGYEMAH-UHFFFAOYSA-N 441.425 4.284 10 20 IICD CC(=O)Nc1ccc(NC(=O)Cc2noc(-c3ccc(-n4c(C)ccc4C)cc3)n2)cc1 771107807 OWKCCWHZWHYYSZ-UHFFFAOYSA-N 429.480 4.284 10 20 IICD C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cc(F)c(Cl)cc1Cl 774961969 VFANLTWAFYTZSZ-SECBINFHSA-N 436.361 4.065 10 20 IICD CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c(Cl)c1O 775556533 ZRGCNBQVAOOEOW-QGZVFWFLSA-N 429.369 4.480 10 20 IICD O=S(=O)(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnn(CC(F)F)c1 777667384 OTRBZSZKHUYFTA-UHFFFAOYSA-N 438.403 4.091 10 20 IICD C[C@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1 783915106 ITVIIZHHUGDVJL-YYDVJCTNSA-N 449.555 4.141 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nnc(-c2cc3ccccc3o2)s1 787461483 GHSSMSFAFOCFHY-UHFFFAOYSA-N 435.509 4.110 10 20 IICD CCCCn1ncc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C(C)C 792495352 NXRSHNYPSRWGAY-UHFFFAOYSA-N 427.593 4.337 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(O)ccc2C(F)(F)F)c1 793419069 CXIKQRDADJSDMD-UHFFFAOYSA-N 443.425 4.155 10 20 IICD COc1ccc([C@H](CO)N(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800719623 MFMWCUSQQLWPGD-HXOBKFHXSA-N 445.991 4.460 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCC(=O)Nc1ccc(Br)cc1C 801964473 RPDQBFCUOSPOFH-UHFFFAOYSA-N 448.361 4.414 10 20 IICD Cc1oc(C(C)C)nc1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 803909719 OVUSNAAWRHVBLG-CQSZACIVSA-N 446.459 4.066 10 20 IICD C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 806494693 UYFDSDPBJCNKMU-WXVAWEFUSA-N 448.611 4.042 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3C)CC2)cc1 808916047 KSWAWISFDSRDKC-UHFFFAOYSA-N 425.920 4.197 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1Br 811814726 RQMCXYPUJXGXCH-JTQLQIEISA-N 440.250 4.047 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c(C)n1-c1ccc(F)cc1 811940468 YSBQFQFUOIXERH-UHFFFAOYSA-N 431.414 4.228 10 20 IICD C[C@H](N[C@H](C)c1ccc(Br)cc1OCCCO)c1cc([N+](=O)[O-])ccc1O 812740000 KGTCQQIYTUFKDS-OLZOCXBDSA-N 439.306 4.236 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)cc(F)c3F)cc2Cl)C1 815636624 XZOJJLWGVOYXKE-LBPRGKRZSA-N 439.865 4.249 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c(C(F)(F)F)c2)NC(=O)OC(C)(C)C)cc1 815710481 NEWRZLASWKQMCM-MRXNPFEDSA-N 440.466 4.095 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c([N+](=O)[O-])c1 817988192 FIPOPUGKSWWLRI-UHFFFAOYSA-N 431.495 4.016 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CC[C@H](C)C2 825504549 PQLMRNVFIBCDGI-NHYWBVRUSA-N 430.501 4.253 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3c3ccccc3C)CC2)cc1 918197819 NMUMTVHQDOHRMH-VWLOTQADSA-N 436.600 4.062 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cn2)c1 918306089 RDDWDEBDHOAOMM-UHFFFAOYSA-N 432.524 4.099 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)cc2Br)cc1 918311553 YEODUFJPVGQIMN-UHFFFAOYSA-N 436.325 4.032 10 20 IICD Cc1cc(C(=O)NC2CCC3(CC2)OCCO3)c(C)n1-c1ccccc1Br 918603099 PHSPRMQTOGUWDP-UHFFFAOYSA-N 433.346 4.272 10 20 IICD Cc1nccn1C[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 918698300 LYHPJKYDMGIGIC-AWEZNQCLSA-N 429.362 4.428 10 20 IICD CC(=O)c1cc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c(O)c(CN2CCOCC2)c1 919942163 RMGLAEXGVMUNGI-DEOSSOPVSA-N 428.548 4.443 10 20 IICD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1c(Cl)ccc2nonc12 1329520295 VFCBQSDENYRPNE-UHFFFAOYSA-N 443.897 4.015 10 20 IICD C/C=C/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740899 WWSGDJWGWLHEJJ-XTAONSPJSA-N 432.948 4.117 10 20 IICD Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 108287729 YQFKLRAYIIYCAY-BBWFWOEESA-N 434.939 4.485 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 110359349 XKTJKBGPFLYYOI-UHFFFAOYSA-N 440.931 4.116 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1)C1CCCCC1 116030509 UPVOCPIRGJVHES-UHFFFAOYSA-N 434.989 4.442 10 20 IICD Cc1c(CNC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)n(C)c2ccccc12 471276542 IYYITXDYTHMTDR-LJQANCHMSA-N 435.528 4.109 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 682799274 WDJRHQVHQMTPPN-UHFFFAOYSA-N 439.519 4.099 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4Cl)c3)SC2=S)cn1 726197425 RZOIWGYRRANNDP-REZTVBANSA-N 429.958 4.207 10 20 IICD CN(Cc1ccccc1)C[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 726796454 ABVNDVWGGLJYMA-DHIUTWEWSA-N 437.609 4.314 10 20 IICD COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 727841846 JHFOGQJTFLKXIM-KGVIQGDOSA-N 441.547 4.495 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 728139737 IXLLBCJYPBZVOX-UHFFFAOYSA-N 437.437 4.432 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 728950488 QEKKVPAMPNCUOU-HUUCEWRRSA-N 448.361 4.050 10 20 IICD COc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3O)nn2-c2ccccc2)cc1 729859801 WNAHSVGHTKIQAZ-UHFFFAOYSA-N 429.476 4.192 10 20 IICD COc1ccc(OC(C)C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 730386779 XEBSCKGDRZHKTP-UHFFFAOYSA-N 439.556 4.070 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 731844380 FVLIKKCVSBXNDI-QFIPXVFZSA-N 445.563 4.170 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(C)nc3C(C)C)c2C)cc1 734204576 ULYAIDQVPQPLLJ-UHFFFAOYSA-N 449.507 4.142 10 20 IICD Cc1cc(C(=O)N2CC[C@H](CN3CCCC3)C2)c(C)n1-c1ccc(Br)cc1 739789863 YLUNUVUMTSFSFU-GOSISDBHSA-N 430.390 4.415 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(N2CCc3ccccc3C2)nc1 740919612 DAQFWJVXQRMHSZ-UHFFFAOYSA-N 439.563 4.020 10 20 IICD COC(=O)C(C)(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 743198623 HUECXULGVQPJLQ-FQEVSTJZSA-N 426.513 4.056 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3coc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 743555231 STPHSURISXXARY-CALCHBBNSA-N 438.503 4.094 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCO[C@H]3c3ccc(C)cc3)CC2)cc1 743708802 JZDWDGYZPVTTAG-BWKNWUBXSA-N 437.584 4.440 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 743884542 SAKSKLWLTGBCAE-UHFFFAOYSA-N 425.504 4.002 10 20 IICD CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 743966301 VWOBQYKMSSWNBF-HNNXBMFYSA-N 436.472 4.180 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc(C(F)(F)F)cs1 745839308 WLZNTQDAWAKNMC-UHFFFAOYSA-N 438.269 4.362 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751069870 DGXBVSAXVWKYAI-UHFFFAOYSA-N 442.518 4.026 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1 751096934 VDUZYUDPEQVIKM-UHFFFAOYSA-N 435.425 4.201 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 751403782 FNXQOAOVCALDPH-VWLOTQADSA-N 449.595 4.087 10 20 IICD C[C@H](NCCCOC[C@@H]1CCCO1)c1cc(Br)cc(Br)c1O 756357082 BMUBRWVQGAMLRH-AAEUAGOBSA-N 437.172 4.154 10 20 IICD COC(=O)CCSc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 756481421 KCLIJWRDFQXLEB-KRWDZBQOSA-N 443.569 4.061 10 20 IICD COc1cc(CN2CC[C@@H](N[C@H](C)c3cc(Br)ccc3O)C2)cc(OC)c1 756645762 JQMYWASCSNBPLN-RHSMWYFYSA-N 435.362 4.097 10 20 IICD COc1ccc(C(C)(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 757656866 QAJIHTFTEATSIB-UHFFFAOYSA-N 448.510 4.368 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 758417246 XDSYQQOZHGHZKR-RNEAKCBISA-N 429.519 4.041 10 20 IICD COCCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 765077005 FQESYNOAQRUSNX-QGZVFWFLSA-N 438.490 4.418 10 20 IICD O=C(Nc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1F)c1cccc(Cl)c1 766060006 QJTBCQCMMWAXSQ-UHFFFAOYSA-N 446.847 4.068 10 20 IICD CN(CCC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)C(=O)OC(C)(C)C 769710474 ALUZFGGGEWESIX-UHFFFAOYSA-N 444.620 4.465 10 20 IICD CCN1C/C(=C\c2ccc(N3CCN(C)CC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1 771521030 NZFPBCCYLDMWNG-CAPFRKAQSA-N 442.563 4.061 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1NC(=O)OC(C)(C)C 772221840 MXTQGWOURLANJI-UHFFFAOYSA-N 425.529 4.109 10 20 IICD CC[C@H](C)n1nc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1C 776220698 YYSULDXKYGNLDM-LBPRGKRZSA-N 432.436 4.098 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 776581401 DQUUCEWGFQAHIK-OAQYLSRUSA-N 427.501 4.106 10 20 IICD CC(=O)Nc1cccc(NC(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 782721890 QARBBINYSDFJSI-UHFFFAOYSA-N 437.521 4.123 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc2ccccc2c1 785193380 YIZOWYZHBNRDTB-UHFFFAOYSA-N 427.298 4.295 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CNc1cc(Cl)ccc1OC 791248629 PWXLBQIPZPLYLV-UHFFFAOYSA-N 447.963 4.149 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 792037434 BCFPVNOSVIEDAK-QUCCMNQESA-N 429.511 4.061 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC=C(c2cccc(Cl)c2)CC1 792833479 CAOKPGKPQPEPKO-UHFFFAOYSA-N 429.923 4.315 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 793746426 ZCUMZWVQZDFPAG-INIZCTEOSA-N 447.373 4.031 10 20 IICD COc1ccccc1-n1nccc1/C=C1\SC(=S)N(CCc2cccs2)C1=O 797398714 QGDXMLNBSUDZJY-AQTBWJFISA-N 427.576 4.386 10 20 IICD CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc3nsnc23)c2ccccc21 799185002 VODDSOHFNAULJL-UHFFFAOYSA-N 446.554 4.032 10 20 IICD CCN(C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](C)c1cc2ccccc2o1 804317665 LMLHOXTYUJISEM-GOSISDBHSA-N 449.551 4.136 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 806249461 VZARCPMWWZZOHG-DEOSSOPVSA-N 445.563 4.325 10 20 IICD CC[C@H](NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1cc(Br)ccc1O 810255360 JWBSIBFRJYZOTD-UWJYYQICSA-N 438.362 4.206 10 20 IICD COc1ccc(N2CCN([C@@H](C)C(=O)N(c3nccs3)C3CCCCC3)CC2)cc1 811502723 ZNDUPRRJYUBVES-SFHVURJKSA-N 428.602 4.028 10 20 IICD Cn1cc(N2CC[C@@H](SC3=NC(=O)/C(=C\c4csc5ccccc45)S3)C2=O)cn1 814773479 SVHIUYXMBNZIJJ-SOQAFLNVSA-N 440.575 4.144 10 20 IICD CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1cccc(C(F)(F)F)c1O 815576259 NAADODBSTSFMGH-CQSZACIVSA-N 430.492 4.090 10 20 IICD Cc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 916138638 RLEWWFLNRWYDPH-QGZVFWFLSA-N 447.373 4.020 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1N1CCCCCC1 916677071 OHIGUSDWIIERQW-UHFFFAOYSA-N 426.536 4.364 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3Oc3ccccc3)cc2)C1 917833195 MWERBWLJUASCLN-FQEVSTJZSA-N 429.520 4.111 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3Oc3ccccc3)cc2)C1 917833197 MWERBWLJUASCLN-HXUWFJFHSA-N 429.520 4.111 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 919774781 DWBIMJJXVWZQOF-SFHVURJKSA-N 445.947 4.399 10 20 IICD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1)c1cc(O)nc(O)c1 1788425448 QMGLPTRVFYDTBX-KRWDZBQOSA-N 445.466 4.066 10 20 IICD O=C(CCc1ccc(F)cc1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791461053 OQBDPLJCDSQUFQ-UHFFFAOYSA-N 449.482 4.012 10 20 IICD COc1cc(N2CCN(c3cc(C)nc4c(F)c(F)ccc34)CC2)cc(OC)c1OC 302717522 JYWQMCYCOOSQDY-UHFFFAOYSA-N 429.467 4.174 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC3(N4CCC(OC)CC4)CCCC3)ccc21 502539088 DQXXVBZWSJWCJB-UHFFFAOYSA-N 441.616 4.058 10 20 IICD Cc1ccc2c(C3=CCN(c4ccc(C(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)c[nH]c2c1 603867843 FUCSTBLORWUHNU-UHFFFAOYSA-N 446.507 4.151 10 20 IICD O=C1/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1CCc1ccccn1 726195910 CNWJWUPWNHTDFU-WOJGMQOQSA-N 426.954 4.365 10 20 IICD CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 727247611 FVFPQGOFPOYJKC-UHFFFAOYSA-N 446.510 4.176 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c([N+](=O)[O-])c1 727250474 LSCPVIGWZFXWTD-UHFFFAOYSA-N 443.865 4.320 10 20 IICD CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 727466917 JABVEVNXNKYQSN-SFHVURJKSA-N 428.552 4.387 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4ccccc4F)C3)cc2F)C[C@@H](C)O1 730580816 UNYQNVDUJUPBAV-SCTDSRPQSA-N 429.511 4.278 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCc3c[nH]c4ccccc34)cc2F)C[C@@H](C)O1 730823953 RAEGXKCPXQWFPC-QZTJIDSGSA-N 438.547 4.353 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 733141882 KVHVEFYNKAPBSO-XIEYBQDHSA-N 440.547 4.159 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@@H]3c3ccco3)cc2F)C[C@@H](C)O1 736622680 ANIPPFLZWISCDL-SELNLUPBSA-N 443.563 4.266 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3)cc2)C1 741912609 DLDVALCJMBVVSC-HXUWFJFHSA-N 445.588 4.470 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742494867 CXXCRGHACHQAOO-OAQYLSRUSA-N 436.383 4.091 10 20 IICD COc1ccc(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F 743016197 UEDOJXQTINNNRD-CQSZACIVSA-N 425.476 4.391 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)c(OC)c(OC)c1 743058720 RJQUQRLCSMZRME-UHFFFAOYSA-N 439.306 4.235 10 20 IICD Cc1cnc([C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C2CC2)s1 743554978 NRBVDUFXYUXUEW-ARGWCVDVSA-N 432.565 4.155 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)CC2)cc1 746315227 LGWOFUYAUCPSFY-LADGPHEKSA-N 441.547 4.101 10 20 IICD COC(=O)c1cc2c(/C=C3\SC(=S)N(CCCSC)C3=O)ccc(OC)c2o1 749017458 UHMQASVVHQHEEO-DHDCSXOGSA-N 437.564 4.182 10 20 IICD Cc1cccc([C@H]2CCN(C(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)C2)c1 753204768 ALBBTRJFWXMSBO-KRWDZBQOSA-N 442.562 4.193 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3c(F)cc(Br)cc3F)CC2)cc1F 753892334 SFWDDCMDEHNNPD-UHFFFAOYSA-N 444.251 4.229 10 20 IICD O=C(Nc1ccccc1O[C@H]1CCOC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 760062812 PPJZUXVDWIRRSH-APWZRJJASA-N 447.482 4.246 10 20 IICD COc1cc(N2CCN(Cc3cc(Cl)cc(Cl)c3OC)CC2)cc(OC)c1OC 761218771 HUFSLZZITKFZTM-UHFFFAOYSA-N 441.355 4.350 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1 761466080 MKFNVUUJZOWCAV-BBRMVZONSA-N 433.451 4.427 10 20 IICD CCc1ncc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)s1 763494787 JPFOPNRTLOYALU-UHFFFAOYSA-N 436.403 4.454 10 20 IICD C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C)c1ccc(N2CCOCC2)cc1 765329301 IOLLRAJAQAOMEW-IAGOWNOFSA-N 446.389 4.354 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 765796945 ACXJGZIGCFYEMS-RSXGOPAZSA-N 430.596 4.259 10 20 IICD COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 771385903 UUMMCBMPHUWELO-CQSZACIVSA-N 443.535 4.347 10 20 IICD C[C@@H](NC(=O)c1cc(F)c(F)cc1I)c1ccc(N(C)C)cc1 773019104 OPPZFIVIDGHJGG-SNVBAGLBSA-N 430.236 4.126 10 20 IICD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773844522 CKZVXGGTLATKGE-IBGZPJMESA-N 431.536 4.456 10 20 IICD COc1c([N+](=O)[O-])ccc(CN(C[C@@H](O)COc2cccc3ccccc23)C(C)C)c1O 774818681 FWFITUBTDVZTKP-LJQANCHMSA-N 440.496 4.113 10 20 IICD Cc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)c(C)c1O 774837133 GHEKLGXGXJONKF-UHFFFAOYSA-N 432.523 4.138 10 20 IICD C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C 775236955 XRVVPLOSUNEOML-MJGOQNOKSA-N 443.544 4.485 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1sc(-c2ccc(C)o2)nc1C 777828628 MNYLRCMTJIPNAB-UHFFFAOYSA-N 434.901 4.194 10 20 IICD CC(C)(C)C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F 778130198 FTHFZVDSDUSARM-HNNXBMFYSA-N 448.397 4.467 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 780694217 HOIQEZCSQZGWPR-UHFFFAOYSA-N 425.863 4.442 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3COc3ccccc3)c2)CC1 781271164 VGPGBFKJXVWMJD-UHFFFAOYSA-N 429.520 4.186 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 781403665 ZWJCZSLCUHZBEU-HOTGVXAUSA-N 438.410 4.339 10 20 IICD CC[C@@H]1C[C@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1 782002799 SVODOLBPPICMOM-UIFIKXQLSA-N 433.593 4.030 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 783306341 HSYQVWVTLAOTAO-OAHLLOKOSA-N 426.513 4.280 10 20 IICD COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Cl 784061395 BGIJEUSLZWRXAT-UHFFFAOYSA-N 429.904 4.013 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Oc2cccc(F)c2F)nc1 786096537 CJRIAINZJIXLGI-UHFFFAOYSA-N 440.450 4.310 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 792037433 BCFPVNOSVIEDAK-ICSRJNTNSA-N 429.511 4.061 10 20 IICD Cc1ccc([C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccn2)cc1 792040666 USSSICDMIAZLGP-VWLOTQADSA-N 448.542 4.079 10 20 IICD Cc1nc(SC(F)F)sc1CC(=O)NCc1ccc(N2CCSCC2)cc1 793104966 HVHIWAIJDLNOTI-UHFFFAOYSA-N 429.583 4.178 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)CCC(=O)N2 799186567 AAMWNJDHMPNOGH-UHFFFAOYSA-N 433.942 4.457 10 20 IICD CSC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCOCC1 799983418 ZVAYACCCKXCXEX-MRXNPFEDSA-N 426.026 4.288 10 20 IICD CCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 799994747 PWRFJUBFJJNTJV-QGZVFWFLSA-N 435.012 4.024 10 20 IICD Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 807511857 YLUMJQPAUQWZAC-UHFFFAOYSA-N 430.291 4.324 10 20 IICD C[C@@H]1CCCN(c2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccn2)C1 812494851 SGDQTHICAJURHH-QGZVFWFLSA-N 444.526 4.318 10 20 IICD COCC1(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 812577696 CXXFVLKJKUYYMA-PTNGSMBKSA-N 425.597 4.089 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC12CCC2 813584783 CAOIVUPJFANJDM-FQEVSTJZSA-N 442.604 4.408 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3c3cccnc3)cc2F)C[C@@H](C)O1 813591238 UTOWNPASRZBJGQ-DRSNIGMVSA-N 426.536 4.127 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)CC2)cc1F 857464849 RPXBTVRSYFUIPW-UHFFFAOYSA-N 449.313 4.289 10 20 IICD O=C1C[C@@H](Oc2ccccc2NCc2ccc(N3CCCCC3)c(Br)c2)N1 864041285 RPVCYKLMRREPDN-OAQYLSRUSA-N 430.346 4.276 10 20 IICD O=C(NC1CC1)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1Cl 916690934 AICBLAGMNBXYFA-SFHVURJKSA-N 443.931 4.151 10 20 IICD Cc1cc(C(=O)CN2CCC(N3CCNC3=O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 917165154 UYYHHIZLWXYPTD-UHFFFAOYSA-N 449.382 4.073 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc2F)C[C@H](C)O1 918141029 QSIVBNIPSAGIJP-ROUUACIJSA-N 438.543 4.207 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC(F)F)cc1 918213261 OOKSVSGOVWASGZ-INIZCTEOSA-N 433.499 4.057 10 20 IICD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)o1 1830736280 AWZBSKBOZWGZEG-SFHVURJKSA-N 446.931 4.200 10 20 IICD COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCCC(C)C 16134503 MHILEGVAZNALRM-UHFFFAOYSA-N 426.557 4.229 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(C)n1-c1cccc(Cl)c1 303807298 KOKNEWXSJBATRX-QGZVFWFLSA-N 435.911 4.205 10 20 IICD Cc1c(CNC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)n(C)c2ccccc12 471765273 COCZIQWSPIUTLG-UHFFFAOYSA-N 427.508 4.133 10 20 IICD COc1ccc(N2CCC(NC(=O)NC3(c4ccc(Br)cc4)CC3)CC2)cc1 726709792 SLVJIMMVPKIKPY-UHFFFAOYSA-N 444.373 4.415 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 727170143 IYMHVSOXLLBBFO-UHFFFAOYSA-N 442.512 4.385 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1 728950500 QNFJVLDXVOUOEU-MRXNPFEDSA-N 425.529 4.480 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3sc(C)nc3-c3ccccc3)cc2F)CC1 730192647 JOGLVRFTOZMXFX-UHFFFAOYSA-N 438.572 4.330 10 20 IICD CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(Cl)cc1 731016835 PYENQEHQMZEKOP-HSZRJFAPSA-N 427.976 4.460 10 20 IICD CCCO[C@@H]1CCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 731031329 ZTSYXPBCXJDHOH-LLVKDONJSA-N 432.271 4.060 10 20 IICD COc1ccc(N2CCN(C(=O)CS[C@@H](C)c3ccc(OC(F)F)cc3)CC2)cc1 731040442 SSJOXIALGDYGJL-INIZCTEOSA-N 436.524 4.440 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(n3c(O)nc4ccccc43)CC2)cc1F 731405242 YSAVDIWKOQXQLF-UHFFFAOYSA-N 439.535 4.274 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(Br)ccc1F 732435993 WXIPPPYAGPZISJ-UHFFFAOYSA-N 440.288 4.010 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 734558853 ZFVDZAQFNJQQCL-AREMUKBSSA-N 437.403 4.028 10 20 IICD c1ccc(-c2cnc(SC[C@H]3CN=C(N4CCOCC4)S3)n2Cc2ccco2)cc1 735414365 OZHLRESMXQAPOB-LJQANCHMSA-N 440.594 4.087 10 20 IICD C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742597127 NLGJZSWTFXQYEQ-HRAATJIYSA-N 429.536 4.410 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)cc1F 742652852 BSUQJIOPUPLPNE-UHFFFAOYSA-N 426.435 4.221 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2F)NC(=O)OC(C)(C)C)cc1 742750782 PMFNIKAVZOJLLQ-OAQYLSRUSA-N 429.536 4.207 10 20 IICD CC(=O)Nc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 743086919 FCZGANNBJFTBAT-INIZCTEOSA-N 432.471 4.345 10 20 IICD O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCc1ccc(N2CCCC2)cc1 743551953 KBPSHJDVEVTTKS-UHFFFAOYSA-N 442.869 4.232 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCOc2c(OC)cccc21 745795110 RVJIKAWIFUVOAF-MRXNPFEDSA-N 435.318 4.219 10 20 IICD O=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745847392 PLYNDXCAXKJFIH-QGZVFWFLSA-N 442.466 4.411 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)s3)c2C)c1 748962999 WGOFLQMPJFSHIO-UHFFFAOYSA-N 428.535 4.016 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H](c2cccc(F)c2)C1 751060481 FPFWFNUHVBCXFJ-OAHLLOKOSA-N 446.525 4.023 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)n2)cc1 753155417 OGHRTBHEVMABJA-UHFFFAOYSA-N 443.550 4.283 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCSCC4)c(C)c3)CC2)cc1F 753886863 UXBLGWKVQGQWFQ-UHFFFAOYSA-N 444.576 4.050 10 20 IICD CN1CCN(CC2(C)CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)CC1 755242313 PMMKFJCMZGVYIK-UHFFFAOYSA-N 448.615 4.390 10 20 IICD C[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)cc(Br)c1O 756581918 DTNLJNXLUPXDSQ-LOWVWBTDSA-N 448.199 4.215 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3C(=O)OC)n2)s1 757552783 YRSLWMNUVVGYFR-UHFFFAOYSA-N 426.516 4.161 10 20 IICD Cc1cc(S(C)(=O)=O)cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C 758283447 FTZGMGLGIKRKIA-UHFFFAOYSA-N 440.565 4.209 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2cncc(F)c2)sc(C)c1-c1ccccc1 759419727 KYNCMXYQRNBJGG-UHFFFAOYSA-N 442.468 4.230 10 20 IICD COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)sc1Br 759896246 JPBVNLIZAMWEGR-UHFFFAOYSA-N 429.299 4.481 10 20 IICD COc1ccccc1[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccn1 760862128 IVRXIMBEGBEFBR-CPJSRVTESA-N 447.535 4.276 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 761972252 HXTJZMUFTALORE-YCRPNKLZSA-N 426.513 4.113 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1OC(F)F 765250919 DQQDWVBYFLNITB-HOCLYGCPSA-N 437.918 4.494 10 20 IICD Cc1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(Cl)cc1 772747040 XCYGIUSKTFASDT-NRFANRHFSA-N 426.948 4.067 10 20 IICD Cc1cccc(Oc2ncccc2NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C 773845990 LPWOHVJLNTVLFG-GOSISDBHSA-N 432.524 4.373 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(C(=O)C(F)(F)F)CC1 773866255 QUTNQHCNVHELOC-UHFFFAOYSA-N 432.402 4.411 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 775111613 BVTIWGRADMBYNQ-UHFFFAOYSA-N 429.564 4.049 10 20 IICD C[C@H](NC(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1ccc(N(C)C)cc1 775601070 OKSODFKGYZEHGO-IBGZPJMESA-N 445.567 4.127 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C2SCCS2)cc1 777828475 JYOMNPQOWMKYMP-UHFFFAOYSA-N 437.970 4.340 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c(C)n1-c1ccc(F)cc1 777835805 CZMPRPBRINMSQM-JOCHJYFZSA-N 435.499 4.082 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1O 779026408 BINKNCVALGJIKF-LPHOPBHVSA-N 431.374 4.347 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)c2)CC1 781270178 HJRRQEMVHNUXAL-UHFFFAOYSA-N 430.552 4.358 10 20 IICD Cc1ccc2cc(CNCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccc2n1 782522992 NZMUXJPWEVTZAM-UHFFFAOYSA-N 442.542 4.089 10 20 IICD COCCOc1cc(C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783485751 KSDVZOOXAKRWDL-LJQANCHMSA-N 447.535 4.335 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 783946842 VSWZEKGLACGAFX-UHFFFAOYSA-N 438.550 4.228 10 20 IICD C[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 790912380 CXULVMDQZCIUKM-ZRNYENFQSA-N 438.616 4.145 10 20 IICD COc1cc(Br)cc(CN2CCOC[C@H]2c2nc3ccccc3s2)c1O 800534772 SUYNGTCKCZFECE-HNNXBMFYSA-N 435.343 4.347 10 20 IICD Cc1nn(-c2ccccn2)c(C)c1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 801647082 BBJKLAFDWJSAAC-UYRXBGFRSA-N 435.578 4.356 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 806458081 VHWQDWCPBNBMST-WMTXJRDZSA-N 437.559 4.265 10 20 IICD O=C(NCc1ccc(Sc2ccccc2)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 807291313 BYKJNIKXIMFCTE-UHFFFAOYSA-N 443.572 4.147 10 20 IICD CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 807675407 XEWVDZMENHOKPC-INIZCTEOSA-N 446.389 4.130 10 20 IICD CC(=O)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1[C@@H](C)c1ccccc1 808014478 KRVDWUXWUMJTSX-LBPRGKRZSA-N 445.338 4.019 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)N(C)C 809314505 KDAAZZKGHLSMME-FQEVSTJZSA-N 427.574 4.108 10 20 IICD O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1 816491638 TXXFQSZTLQNLLQ-UHFFFAOYSA-N 442.716 4.193 10 20 IICD CN1C(=O)Cc2cc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)ccc21 828603857 JIQMEPGQNPELCO-HXUWFJFHSA-N 447.560 4.223 10 20 IICD O=C(Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)C1CCC1 916380119 DGDBKJSRGCMOAY-JOCHJYFZSA-N 437.540 4.022 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1 916502450 LTIXVPJHHYDHQD-UHFFFAOYSA-N 427.545 4.187 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(OCc2cccnc2)c1 916688298 WNWKJBIAUCBION-UHFFFAOYSA-N 446.551 4.191 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc(N3CCOCC3)s2)c1C 920306740 CCNAGTPGWUYPTL-UHFFFAOYSA-N 428.583 4.066 10 20 IICD Cc1c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)sc2cccc(F)c12 1319060586 GTBCKCYLDTXYNU-UHFFFAOYSA-N 448.950 4.175 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(SC)c(Cl)cc1Cl 1320274430 SSBMEXXDSKHWGK-AWEZNQCLSA-N 444.336 4.031 10 20 IICD CN(Cc1cc(F)cc(F)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1320777422 STQQTXYFQIKVDM-UHFFFAOYSA-N 443.416 4.162 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)O)CCC3)cc2)cc1 1790691691 BRNTZQKBKWPPJN-LJQANCHMSA-N 431.536 4.223 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccoc2)C3)cc1 1845398081 WTUBNSNXAZIKHW-IZZDOVSWSA-N 429.520 4.218 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(C)n1-c1cccc(F)c1 12656538 KZLIGXYVIHDVEJ-FQEVSTJZSA-N 438.430 4.224 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c2C)cc1 26414909 XNGPYTGQLUFTCX-NRFANRHFSA-N 447.535 4.264 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 726621211 QPLRBNROQUHAGD-LEWJYISDSA-N 444.373 4.236 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 726848489 VOQFLZOJRCCTMO-UHFFFAOYSA-N 426.542 4.114 10 20 IICD CN(C)c1ccc(N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 728840268 WZYTXPUMYRDPIL-JXAWBTAJSA-N 445.635 4.459 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 729304885 CBWNHMOQNNYAKH-UHFFFAOYSA-N 443.547 4.072 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 729535188 MDYDHIGDTAWODF-QGZVFWFLSA-N 428.492 4.199 10 20 IICD CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 731015533 VWSVWQOAQBTQTE-UHFFFAOYSA-N 437.584 4.148 10 20 IICD CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 731409732 ZYZWYLPXRGJFKV-UHFFFAOYSA-N 435.927 4.369 10 20 IICD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 733134560 VIULAHKDKOEJLQ-CQSZACIVSA-N 434.367 4.369 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@H]3c3ccco3)cc2F)C[C@@H](C)O1 736622686 ANIPPFLZWISCDL-YYDVJCTNSA-N 443.563 4.266 10 20 IICD C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(N2CCOCC2)cc1 737519874 GZFHVVPBSJHNOI-INIZCTEOSA-N 444.457 4.219 10 20 IICD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 741067129 GSECBNCDLDXNRS-UHFFFAOYSA-N 427.570 4.098 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(C2CC2)nc2ccc(F)cc12 742691181 YHIYOKQREREXFI-UHFFFAOYSA-N 433.527 4.390 10 20 IICD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 743155214 NYMWRPIRHXKIOU-UHFFFAOYSA-N 430.570 4.306 10 20 IICD CCCc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 745266840 BJMGVJUSYLIHGZ-CYBMUJFWSA-N 448.500 4.055 10 20 IICD COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1O 745514480 ZLRZUAMUQWWYMP-ZHACJKMWSA-N 435.476 4.256 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccco1)N(CC)CC 745784303 RTKSPDIQWYTTPC-QGZVFWFLSA-N 438.366 4.362 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H](Cc3ccccc3OC)C(C)C)CC2)cc1 747953569 PSSYRUIQTSZHFJ-QHCPKHFHSA-N 425.573 4.239 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccn1 749430179 CPORYFDIYFDRME-UHFFFAOYSA-N 441.491 4.288 10 20 IICD C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 752806462 ZZKZGRBZFWGJPX-IRXDYDNUSA-N 440.540 4.064 10 20 IICD Cc1nc([C@@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)C2)n[nH]1 761075499 YJHBAHJOLYALNB-MRXNPFEDSA-N 442.361 4.303 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(CCN4CCCC[C@@H]4C)CC3)CC2)cc1 764352425 HYUMSSMLZNZGHL-NRFANRHFSA-N 442.648 4.350 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 765254277 VBMWPKRODUOMAK-UHFFFAOYSA-N 438.709 4.022 10 20 IICD C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(N2CCOCC2)c1 766237074 HMSVODXGIHGMHJ-UYAOXDASSA-N 431.527 4.444 10 20 IICD CSC[C@H]1CCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769322468 LGPHNJZXWYDFAL-WDGDVPDHSA-N 426.654 4.084 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(N(C)C)cc1 773846733 NVNWXXLNCKYWMP-HNNXBMFYSA-N 438.915 4.409 10 20 IICD C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(N(C)C)cc1 775435096 RWFGHJYGJSVNMA-HNNXBMFYSA-N 436.478 4.491 10 20 IICD COc1ccc(CCc2nnc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)o2)cc1 777515279 FHHAPWUCXLGGQU-UHFFFAOYSA-N 437.500 4.374 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cncc(Br)c1)c1ccc(N)cc1 783487073 UHDYPYFNDIRQIX-CQSZACIVSA-N 439.313 4.159 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21)c1ccc(N)cc1 783487887 YTKQOIFXQZISQG-XXBNENTESA-N 440.547 4.379 10 20 IICD CN(C)CCc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 786250530 HJMLXGUURGVNHY-UHFFFAOYSA-N 434.584 4.362 10 20 IICD CCC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1 792066054 IATCAOSWNVGBII-FCHUYYIVSA-N 447.526 4.458 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1cccc2ccccc12 797434306 RGLWCXZUILIFNR-IZZNHLLZSA-N 429.564 4.404 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc([C@H](C)O)s3)c2C)cc1 798690930 IBLUBMFSOJJPDD-HNNXBMFYSA-N 428.510 4.042 10 20 IICD O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1Br 805135830 UOFDUYCCORQIAP-UHFFFAOYSA-N 429.094 4.079 10 20 IICD Cc1cccc([C@H](C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 807467627 WDLKAQORSIJRKG-HXUWFJFHSA-N 433.552 4.103 10 20 IICD CCOc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)C(C)=O)cc1 808025985 IETTUQSCJAKWOU-UHFFFAOYSA-N 445.928 4.149 10 20 IICD Fc1cc(CNCCc2c[nH]c3cccc(Br)c23)ccc1N1CCOCC1 810164028 REWXIZJBVAUTNQ-UHFFFAOYSA-N 432.337 4.238 10 20 IICD COc1c([N+](=O)[O-])cc(N2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])c1Br 813637808 WEKNAUBJMXPVMP-JTQLQIEISA-N 438.234 4.062 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCOc1ccccc1 914445721 BLFBGPXEKPHMGL-SDXDJHTJSA-N 446.619 4.315 10 20 IICD COc1ccc(N2CCCN(CC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)CC2)cc1 917208649 JVGFVINENNPYCE-UHFFFAOYSA-N 444.579 4.005 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccnc3OCc3ccccc3)CC2)cc1 918039234 BMDXOJGTZVZTHH-UHFFFAOYSA-N 432.524 4.413 10 20 IICD C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)o1 918224183 MSPQHVUWIZRXLB-OXJNMPFZSA-N 427.520 4.253 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 918429775 OSMJQZSGQVQJJB-UHFFFAOYSA-N 441.535 4.102 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1 918566146 XSQIBLRTNLOHLF-UHFFFAOYSA-N 435.524 4.414 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(Cn4cccn4)cc3)cc2F)C[C@H](C)O1 921119614 RINRAVUKGRVUBV-ROUUACIJSA-N 437.519 4.006 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 1116049046 GHJNFHKWSYZNIM-UHFFFAOYSA-N 431.870 4.186 10 20 IICD O=C(c1ccn(-c2ccccc2C(F)(F)F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 1321026624 CSDHMFCYUFANDE-KRWDZBQOSA-N 445.441 4.418 10 20 IICD Cc1cc(-c2nnc(-c3cc(S(=O)(=O)N(C)C)ccc3F)o2)c(C)n1-c1ccccc1 1325830464 VXMUSEDEZSHWLW-UHFFFAOYSA-N 440.500 4.201 10 20 IICD C[C@@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cc(Br)c(F)cc1O 1337796064 OHLRAGQCKSBMSK-SNVBAGLBSA-N 449.242 4.393 10 20 IICD CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1845501949 VQXCMUKKPBRFBV-UHFFFAOYSA-N 434.964 4.175 10 20 IICD COc1ccc(N2CCCN(Cn3nc(-c4cccs4)c4ccccc4c3=O)CC2)cc1 108220333 JIZORXBZEYZYSQ-UHFFFAOYSA-N 446.576 4.303 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 109570078 URFHEALAXJYDNQ-NHCUHLMSSA-N 429.358 4.048 10 20 IICD COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC(F)F 110083257 WHQMMPBBCAYUTJ-LJQANCHMSA-N 434.483 4.184 10 20 IICD COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1NC(=O)C1CCCCC1 604738320 YALCTIKMAWNYPZ-UHFFFAOYSA-N 446.554 4.020 10 20 IICD O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCc2c1cccc2[N+](=O)[O-] 609972247 BHEAPXHJXIEQMV-UHFFFAOYSA-N 425.448 4.105 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(I)cc1Cl 728022961 XEUOXKKMEGYWLK-UHFFFAOYSA-N 440.712 4.475 10 20 IICD CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O 728284741 UZUQWIOKVZCJFV-UHFFFAOYSA-N 432.520 4.053 10 20 IICD Cc1ccc(CN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)CC2=O)cc1 728839379 DTZHMSLJPDYUPS-HXUWFJFHSA-N 447.501 4.001 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 729573810 UZKASLQPYGTPMU-UHFFFAOYSA-N 444.507 4.331 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730206897 CJUXHZWOCLDGGK-UHFFFAOYSA-N 445.350 4.288 10 20 IICD COc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 731118889 JAPSGZYHAOLRCG-AREMUKBSSA-N 445.563 4.463 10 20 IICD CCN(CC)c1ccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)cc1F 731320627 WTOJMCXYODKUIK-UHFFFAOYSA-N 428.621 4.301 10 20 IICD CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 735251268 SBQAUZMXPADTHO-SFHVURJKSA-N 449.364 4.310 10 20 IICD C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 742046994 DWYDQGDMNBTXSO-HNNXBMFYSA-N 435.387 4.086 10 20 IICD Cc1ccccc1O[C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 743555271 UQAIWPCTEPVBLA-GUDVDZBRSA-N 429.536 4.014 10 20 IICD CS(=O)(=O)c1ccc(OCCN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 744396547 IZSRKKIYQHGVIC-UHFFFAOYSA-N 445.562 4.008 10 20 IICD CCOC(=O)c1nc(-c2ccccc2)oc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 745983845 GQHBTFAZFNJPMB-FQEVSTJZSA-N 436.508 4.405 10 20 IICD COCCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC)c(OC)c1 746477585 AQNMDLVNIHWRIY-UHFFFAOYSA-N 446.853 4.468 10 20 IICD C[C@H](NC(=S)NCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 747647812 BSPXRENJDUOZKC-HNNXBMFYSA-N 434.403 4.011 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1F 753152519 XVHBEFSFIHRNOX-SFHVURJKSA-N 428.556 4.147 10 20 IICD C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)c(F)cc1O 756456064 FTMSCANVXPUIRK-AWEZNQCLSA-N 437.353 4.353 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)OC)cc3)SC2=S)cc1 758414462 ACXKFKHAJJTBND-QIQQCEGHSA-N 443.546 4.431 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1 758903170 WLTCUFMZEJPUDV-HSZRJFAPSA-N 425.573 4.351 10 20 IICD O=C(NCCCSc1nccs1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 759591118 PZQAOIWIUHGIKS-OAHLLOKOSA-N 447.561 4.404 10 20 IICD COc1cc(N2CCN(Cc3ccccc3Oc3cccnc3)CC2)cc(OC)c1OC 759878860 PFEHNNQCGDWNBN-UHFFFAOYSA-N 435.524 4.222 10 20 IICD CC1CCN(c2ccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2)CC1 761275074 CWPRVJRSRYAMPM-UHFFFAOYSA-N 427.932 4.246 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 761967371 MDNAGXPTQCVPPZ-SBUREZEXSA-N 434.492 4.246 10 20 IICD COc1cc(Br)cc(CN[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1O 762554737 GAHSUCIXTODASB-GOSISDBHSA-N 436.737 4.429 10 20 IICD CCOc1cc(CN(C)Cc2ccc(N(CC)CC)cc2)nc2nc(C(F)(F)F)nn12 766837990 DPCCOLRRAXJDIA-UHFFFAOYSA-N 436.482 4.020 10 20 IICD COC(=O)CN(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)ccc1O 766885038 HKOXCVMUVXRCIN-UHFFFAOYSA-N 444.837 4.068 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(SC(F)F)nc2)cc1)C1CCCCC1 771215607 WFRCWQITQZPBQY-UHFFFAOYSA-N 448.539 4.420 10 20 IICD C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OCc2cccnc2)cc1 774968692 GIDPZWSMEAHOSI-HXUWFJFHSA-N 432.568 4.036 10 20 IICD CC[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1cc(F)ccc1F 775454635 MOBZSWLLYOKPCR-WCJKSRRJSA-N 449.517 4.075 10 20 IICD CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)ccc1O 775500658 WDNFUDHPZYAIJX-WOJBJXKFSA-N 431.374 4.429 10 20 IICD Cc1cc(Br)cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 776979876 CWRIIVDBOTXULB-UHFFFAOYSA-N 432.362 4.288 10 20 IICD CCC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782429108 GNEGQCVKVDOUTR-UHFFFAOYSA-N 433.508 4.106 10 20 IICD CSc1cc2c(cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1)OCCO2 784058890 AZDPFFXLOMHRJN-UHFFFAOYSA-N 441.553 4.066 10 20 IICD COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 789063487 UEVZZDNAZNJNQC-MRXNPFEDSA-N 428.504 4.079 10 20 IICD COc1c(Cl)cc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)cc1Cl 797742676 LGFMREVEIZGZBQ-UHFFFAOYSA-N 433.675 4.480 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccnc3c2nnn3C)sc(C)c1-c1ccc(C)cc1 800802786 IHHCGHWLEMQUOG-UHFFFAOYSA-N 435.509 4.138 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCOC)cc1 802444166 LNPAIXCRDYECSJ-UHFFFAOYSA-N 428.968 4.123 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 802609570 DMHMJAGBRPZTMR-UHFFFAOYSA-N 448.523 4.395 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)ccc1OCC 802609769 JFZZAJFUFIRVPA-UHFFFAOYSA-N 449.345 4.321 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 803842999 YRASZBVKYFYVHR-IBGZPJMESA-N 431.989 4.108 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](c3ccccc3F)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 815579616 RCZGDPVIRMMVKQ-WRVHCEFRSA-N 442.600 4.328 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1OC(F)(F)F 817959525 SLHDDOUCHCDHNU-UHFFFAOYSA-N 428.413 4.402 10 20 IICD COc1ccc(N2CCCN(Cc3nnc(-c4ccccc4Br)o3)CC2)cc1 917089942 QABDFDZMJBWRBW-UHFFFAOYSA-N 443.345 4.220 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(-c2nccs2)c1 918308994 SHJORTHAIPCPMP-UHFFFAOYSA-N 434.565 4.398 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3OCc3ccncc3)cc2F)C[C@@H](C)O1 918635977 ZWOAJPMNWTYOMG-RTBURBONSA-N 449.526 4.343 10 20 IICD CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 920787266 KTJYPKZDEKTUEG-UHFFFAOYSA-N 445.479 4.194 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 1319161964 ZACFPOZAPCBCPA-HZPDHXFCSA-N 427.545 4.298 10 20 IICD Cc1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 1800513195 CDQBOBAYZMYJAO-RHHYMUMYSA-N 442.563 4.363 10 20 IICD CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1ncc(-c2ccccc2)n1C 7210914 ASHSIVRUQJUOOR-UHFFFAOYSA-N 425.554 4.245 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NC(=O)NC1CCCCC1 109623314 PNJHQXWWAQTTBL-UHFFFAOYSA-N 440.491 4.363 10 20 IICD COc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)cc1[N+](=O)[O-] 301983306 YJQCDAGMPKWIOI-UHFFFAOYSA-N 429.370 4.210 10 20 IICD Cc1c(CNC(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)n(C)c2ccccc12 471830298 CDDVKMNCAUQHCQ-SFHVURJKSA-N 447.583 4.303 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N4CCCC4)cc3)ccc21 729041559 WLCOANKOKSPJFG-UHFFFAOYSA-N 447.583 4.432 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 731282028 GZGTUGVGUNERTL-LJQANCHMSA-N 442.579 4.356 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)s1 734066281 QUNWYNVZCJOOIF-MRXNPFEDSA-N 425.957 4.452 10 20 IICD CC(C)Oc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 742685633 LQTXQFGOSIDEKM-UHFFFAOYSA-N 435.547 4.019 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)CNc2ccccc2Cl)NC(=O)OC(C)(C)C)cc1 742753653 LDDTVTUBBRJNTP-HXUWFJFHSA-N 446.979 4.200 10 20 IICD COc1ccc(O)c(CNC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c1 743412277 FCWJUELYODHZLI-UHFFFAOYSA-N 436.892 4.340 10 20 IICD Cc1cccc(O[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 743665656 RSQFHMXYZURSTC-KRWDZBQOSA-N 433.499 4.332 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 746730558 VUVACPWIRBFKGU-UHFFFAOYSA-N 439.947 4.085 10 20 IICD O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 748023791 JBRQLNVPFZEUJS-IBGZPJMESA-N 425.381 4.287 10 20 IICD O=S(=O)(c1cncc(Br)c1)N(Cc1ccccc1O)C1CCCCC1 751137765 WSOIYRMAPQJHPT-UHFFFAOYSA-N 425.348 4.073 10 20 IICD CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751931868 URHGALXTOYADMN-CYBMUJFWSA-N 427.551 4.222 10 20 IICD O=C(Cc1ccc(OCc2ccccn2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 752152038 SKSPPZPZLMSNQB-DEOSSOPVSA-N 432.520 4.117 10 20 IICD Cc1cc(F)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1F 758254514 XDZOBYARGDOSDE-HXUWFJFHSA-N 433.499 4.335 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cc1 758415160 FQFYUYAWHPAETQ-JWHLFPLYSA-N 435.473 4.311 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 761706188 VZIWYDKAWUDCHG-UHFFFAOYSA-N 434.515 4.452 10 20 IICD CCN(CCc1cccs1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 763689019 DBKTXZXOQZMDFT-UHFFFAOYSA-N 436.580 4.021 10 20 IICD COc1ccc(N2CCC(N[C@H](C)CC(=O)Nc3ccc(Br)cc3)CC2)cc1 765638355 LOHCUCSCLRIJTK-MRXNPFEDSA-N 446.389 4.433 10 20 IICD C[C@H](N[C@H]1CCN(c2ccccc2Br)C1)c1ccc(N2CCOCC2)c(F)c1 765923199 CGUHCWUAFROLTB-WMZOPIPTSA-N 448.380 4.354 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3ccc(N(C)C)cc3)c2)cc1 766020423 PFZQXFOAZWXGOH-GOSISDBHSA-N 439.581 4.413 10 20 IICD CCOc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(=O)N1CCCCC1 775363883 NCKLTMYAXPKKRM-FQEVSTJZSA-N 439.600 4.393 10 20 IICD O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)NCCc1ccc(O)c(O)c1 780931200 TVCCZVDNWRSFFY-UHFFFAOYSA-N 440.540 4.024 10 20 IICD CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c2)CC1 781342689 JHOYKOZKOOYGKN-UHFFFAOYSA-N 448.542 4.150 10 20 IICD CC(C)n1ncc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cnc21 783483430 WPNZDVPEGLKEDP-KRWDZBQOSA-N 442.523 4.327 10 20 IICD Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n(-c2ccc(F)cc2)n1 784114539 XPYJXKJWAZBQOM-UHFFFAOYSA-N 435.503 4.064 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 785302734 FMIVSQOUBNVYPY-AWEZNQCLSA-N 447.516 4.060 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCN(c2ncccc2F)CC1 786004241 ZRBLVUZFYQLOAZ-UHFFFAOYSA-N 446.486 4.314 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 790814493 YMTSINVWWRAGTE-UHFFFAOYSA-N 445.672 4.447 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1Cc2cc(Br)ccc2O1 791629456 WLLUNLBWFLUEGV-KRWDZBQOSA-N 435.281 4.101 10 20 IICD CCOc1cc(Br)c(NC(=O)NCc2ccc(OC)cc2O)cc1OCC 797619255 XTYFVVYAOMCYGG-UHFFFAOYSA-N 439.306 4.282 10 20 IICD Cc1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccc(O)c(O)c2)c(Br)c1 799025148 MFXIGDAPCREXEX-AHKGRUIUSA-N 446.341 4.390 10 20 IICD O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc21 800925380 SALKXKKOIURVCK-UHFFFAOYSA-N 449.897 4.301 10 20 IICD CCCCN(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccccc1O 801596195 SHIIGHPXAONPGX-QFIPXVFZSA-N 426.557 4.375 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 807670744 HTYRZGLRKRNMOT-LJQANCHMSA-N 433.527 4.298 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)cc1 815565637 VTEUHBFQNRYFFR-CQSZACIVSA-N 430.492 4.291 10 20 IICD CC(=O)Nc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 914037121 BYTFJUXRRCIMJZ-ATVHPVEESA-N 445.591 4.327 10 20 IICD COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1C 915219293 GWRONJUCWGENFI-UHFFFAOYSA-N 433.511 4.453 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)cc1 916502366 ANZVFITYLXXJLC-OAQYLSRUSA-N 443.975 4.116 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc2c(cc1Cl)OCCCO2 916673204 JDYRZZOSAVEBGU-UHFFFAOYSA-N 445.947 4.032 10 20 IICD Cc1cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c(C)n1-c1ccccn1 918099823 AQPUDKXQVVXIRW-UHFFFAOYSA-N 430.339 4.153 10 20 IICD O=C(NCCc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918186310 AEZXUSYYDOKYEB-UHFFFAOYSA-N 441.881 4.237 10 20 IICD CC1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 918456935 WRCOHSKRZUKHRC-UHFFFAOYSA-N 434.584 4.119 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)c1C 919325468 GZUXTPOXLNEZJA-UHFFFAOYSA-N 445.523 4.183 10 20 IICD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(OCc2cccnc2)c1 919897461 ZQZIXMSHTLQSPA-UHFFFAOYSA-N 442.563 4.445 10 20 IICD O=C(NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1)C1=NN(c2ccccc2)C(=O)C1 1787609130 CKKYONLHSDENQK-UHFFFAOYSA-N 444.535 4.104 10 20 IICD O=C([C@@H]1C[C@@H]1C1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738937 YOYUHXKZHWRYJZ-GGPKGHCWSA-N 446.975 4.031 10 20 IICD C[C@@H]1C[C@@]1(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739892 FFGGNTWKQWXHGI-CGROQTEOSA-N 434.964 4.031 10 20 IICD Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(-n3c(C)ccc3C)cc2)cnc1C 1848297688 XYDQKRMIIKMENJ-DQEYMECFSA-N 442.563 4.235 10 20 IICD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1 303184314 KXIOTSGZWWWOME-QGZVFWFLSA-N 428.536 4.424 10 20 IICD Cc1c(CNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)n(C)c2ccccc12 473265304 WFDWZHLUIZZGQD-UHFFFAOYSA-N 439.585 4.421 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc3ncoc3c2)c(C)n1-c1ccc2c(c1)OCCO2 727193624 ADMZJNCVNGFMCT-UHFFFAOYSA-N 432.432 4.046 10 20 IICD C[C@@H]1CN(c2ccc(CNS(=O)(=O)/C=C\c3ccccc3Cl)cc2F)C[C@@H](C)O1 727449266 UMGAGJMSBQBHPF-SBKIPFDTSA-N 438.952 4.183 10 20 IICD Cc1ccc(F)c2c1CCCN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 731582963 HFLSHIDBRPHVAC-UHFFFAOYSA-N 444.418 4.411 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1 734061122 QZFFFNIGGCZIPZ-UHFFFAOYSA-N 431.920 4.438 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](CN3CCCCC3)c3ccccc3)CC2)cc1 734275988 FGIUSLAPSOFZMU-RUZDIDTESA-N 436.600 4.190 10 20 IICD CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 734867515 OXLFPGDXBJXZPI-JOCHJYFZSA-N 429.992 4.369 10 20 IICD CS[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 740358248 MGXNDTBXCROKFM-XMMPIXPASA-N 445.496 4.048 10 20 IICD O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cccc(I)c1 740604179 DYTOTFUMQAYJNS-UHFFFAOYSA-N 448.332 4.277 10 20 IICD Cc1cc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c(C)n1-c1ccccn1 741702364 RJBWHLAKEHYBMW-UHFFFAOYSA-N 429.423 4.091 10 20 IICD C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742953238 ZYIMETBPPJMOQV-VGOFRKELSA-N 439.556 4.380 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cs1 743046866 OAXMRLRKJSHXDJ-UHFFFAOYSA-N 448.469 4.478 10 20 IICD COc1cc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)cc(OC)c1OC 743283597 CQHIHCMGMWVOMT-RONKMWSCSA-N 441.574 4.471 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1 743380929 OGZPCRPIBRLEKO-UHFFFAOYSA-N 435.568 4.391 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NCC1(c2ccc(Cl)cc2)CCOCC1 743577260 CHFCJTBWTAQRPL-UHFFFAOYSA-N 428.960 4.472 10 20 IICD COc1cccc(O[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 743670270 MNJMDKCCCMTAAC-INIZCTEOSA-N 449.498 4.032 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1 743882862 DSSNHUVOYGPIFB-UHFFFAOYSA-N 443.547 4.259 10 20 IICD CCCNC(=O)c1cccc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)c1 745504502 UXIBBYFIUFJLKA-UHFFFAOYSA-N 448.361 4.026 10 20 IICD CC(C)N(CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C 746421319 ORSJMHDINUTQCU-GOSISDBHSA-N 426.552 4.065 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1F 746799082 ZOBMFGDCVJUGLW-FQEVSTJZSA-N 433.527 4.214 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)c2)CC1 748713546 OVQTXWPBRVBQON-UHFFFAOYSA-N 447.988 4.223 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cc(O)nc2c(Br)cccc12 750240676 VGUHVLIGTQZZGR-UHFFFAOYSA-N 427.298 4.217 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2ccc(Cl)cc21 751060021 FPGGSQCQTVDBAP-UHFFFAOYSA-N 434.926 4.111 10 20 IICD COc1ccccc1[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C 756432120 HGTZEWUGUSIXTI-KDOFPFPSSA-N 431.489 4.226 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(Br)c(F)cc1O 756770859 XZDWNPGXVDEBMM-OLZOCXBDSA-N 430.339 4.197 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 762664087 JQFPGOKRPVTVAS-PGRDOPGGSA-N 432.971 4.380 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C(F)(F)F)o1 769869084 MBXQBDUCYRKWQM-UHFFFAOYSA-N 436.352 4.392 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1 772693240 ZEVYDDUTAWKDQC-UHFFFAOYSA-N 437.525 4.209 10 20 IICD C[C@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(N2CCOCC2)cc1 775676029 PCBQMUOLEOPREA-ZDUSSCGKSA-N 442.409 4.217 10 20 IICD CCCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1 779508730 DNXSEKRORGYBMW-BUVUWQSRSA-N 437.540 4.025 10 20 IICD COCCCOc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895415 APVVWGDZIMVCTG-UHFFFAOYSA-N 440.540 4.108 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)CC2)cc1 786803722 MUIICJVPQSLKGY-UHFFFAOYSA-N 439.556 4.072 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2C)cc1 796332755 IZUFLMRCIHZKHF-UTKZUKDTSA-N 438.490 4.168 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)c2C)cc1 796332758 IZUFLMRCIHZKHF-UWJYYQICSA-N 438.490 4.168 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 801545844 DUDFRHNUCOOCKR-UHFFFAOYSA-N 427.522 4.402 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cc(Br)cc1OC 802609593 FEGWLLFWUKZASN-UHFFFAOYSA-N 449.345 4.239 10 20 IICD CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2NC1=O 806893803 FDBWPPUWGIWHIN-QFYYESIMSA-N 438.311 4.369 10 20 IICD CC(C)(C)OC(=O)NC[C@](C)(O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 809952952 HHIGUIKBLHHVSX-MBSDFSHPSA-N 447.601 4.097 10 20 IICD COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccccc1O 812123205 PGMLBSUFRVGXHG-UHFFFAOYSA-N 435.553 4.365 10 20 IICD C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCCNC2=O)cc1 813243085 VIUQBSNIBZNEAK-GOSISDBHSA-N 448.523 4.378 10 20 IICD COC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)N(C4CC4)C3=O)cc2OC)o1 814284177 FFGQRBJVRHNGGS-VCHYOVAHSA-N 445.518 4.017 10 20 IICD CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 914477959 JBELXCWXGHZUNZ-UHFFFAOYSA-N 430.416 4.046 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 915302991 LLXGKGUFHWNSAU-UHFFFAOYSA-N 437.371 4.336 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 917393572 RNSMKEUMUBISMA-HZPDHXFCSA-N 430.599 4.474 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)Nc3cc(Cl)cc(Cl)c3)cc2)C1 917595980 JVTDSLAAEKQUCW-AWEZNQCLSA-N 437.396 4.182 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1C 917758160 KRTFUQBOBFXJMB-UHFFFAOYSA-N 437.370 4.173 10 20 IICD Cc1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C)n1-c1ccc(Cl)cc1 918579418 ZXPSZJKDEIVHOE-QHCPKHFHSA-N 436.899 4.054 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)s1 918741824 KWTQXHZLJVHEFZ-LBPRGKRZSA-N 435.596 4.486 10 20 IICD COc1ccc(NC(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)c([N+](=O)[O-])c1 919565743 KIRGXLPSDDGOSD-AWEZNQCLSA-N 443.481 4.256 10 20 IICD C[C@@H]1Oc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2NC1=O 919652523 IGCYBMDVEITGOL-INIZCTEOSA-N 434.496 4.299 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc3c(c2)OC(F)(F)O3)cc1 920072694 HGOKPHMBIYTHGN-SFHVURJKSA-N 449.523 4.452 10 20 IICD C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 920882218 WOVPEQPDFQVKOI-QGZVFWFLSA-N 425.529 4.361 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1n[nH]cc1I 1116625813 FSYLTDCBZZOJNZ-ZDUSSCGKSA-N 447.276 4.124 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(C)c4ccccc43)cc2Cl)C1 1256594721 OHPMIFKTUIADFC-LPHOPBHVSA-N 425.960 4.343 10 20 IICD CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673650 BBBQODIBVIRQJZ-QGMBQPNBSA-N 444.535 4.270 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824104645 CBGUHIOLLRTNET-XLIONFOSSA-N 446.975 4.341 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C(C)C)no3)C2)cc1 1844813144 GAUXFIAKDCSZDW-UHFFFAOYSA-N 446.551 4.336 10 20 IICD Cc1c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C 13297410 YTCRTZRKBCALBX-HNNXBMFYSA-N 431.439 4.166 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 18225162 LGFCXLDCZOKGFQ-UHFFFAOYSA-N 443.503 4.376 10 20 IICD CCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1-c1cccc(Cl)c1 108429984 PHTNOZMIYXLUCD-UHFFFAOYSA-N 438.959 4.449 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(C(=O)CC4CCCC4)CC3)ccc21 490548295 VBKYIMXKMHYSCV-UHFFFAOYSA-N 439.600 4.159 10 20 IICD CN(CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCC1 726611729 WDUJFIDXHCCGTK-UHFFFAOYSA-N 438.563 4.211 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c(F)c1 727249563 BHLNRUMASUBHMJ-UHFFFAOYSA-N 431.829 4.451 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(Br)ccc2OC(F)F)c1 728951176 DJWDJWYMRRMXNS-JTQLQIEISA-N 445.260 4.325 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 732887166 XMDBFNNSJZYTEA-QFIPXVFZSA-N 447.539 4.010 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(CNC(=O)OC(C)C)cc3)CC2)cc1 735182518 XVFJLIQCYSEDTA-UHFFFAOYSA-N 440.544 4.074 10 20 IICD Cc1cc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1Br 736091334 FBQPCZJYVRWYQE-UHFFFAOYSA-N 441.329 4.206 10 20 IICD Cc1cc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c(C)n1-c1ccccn1 736228809 JDKKDJLJXIAQRR-UHFFFAOYSA-N 439.519 4.091 10 20 IICD CCCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1OCC 739764614 BLFPEJMAKLCGPK-UHFFFAOYSA-N 439.556 4.218 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cn2)c1 741097369 PCJWHSUPXOCXGK-UHFFFAOYSA-N 442.519 4.067 10 20 IICD Cc1nsc(N2CCCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)n1 743381550 DOEXDQUZHFJUTD-UHFFFAOYSA-N 433.375 4.180 10 20 IICD CC/C(=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 744468689 WSTUBLCQAJSWCR-BXWQOUMASA-N 425.960 4.152 10 20 IICD CN(C)C(=O)C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc21 745576394 HYAFMKXZNYPQOY-SFHVURJKSA-N 440.975 4.232 10 20 IICD CN1CCCc2cc(CNC(=O)c3ccccc3OCc3cn4ccccc4n3)ccc21 746812711 JMCCMGLWLARTPL-UHFFFAOYSA-N 426.520 4.226 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1F 747963588 LMBZRGUALOXBPO-SFHVURJKSA-N 427.568 4.092 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 753548310 ZQTGJVGERRNQIC-UHFFFAOYSA-N 448.571 4.056 10 20 IICD C[C@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Br)c(F)cc1O 756364688 KVPAXTDSRJFDQD-QMMMGPOBSA-N 433.203 4.206 10 20 IICD C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)c(F)cc1O 756474930 KZPZQGVIWUEQEC-DJJJIMSYSA-N 441.316 4.157 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 756723813 MAFRNGKKJNUGOB-SRGMZFCMSA-N 439.375 4.185 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c1 756735710 HCTLPZNEGAGIGG-DIFFPNOSSA-N 425.312 4.172 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Br)cc1 760469087 BTNVJXHGNYJZRU-WIYYLYMNSA-N 430.390 4.392 10 20 IICD Cc1cc(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)c[nH]1 762901220 JZXWTNUWTGAPOS-UHFFFAOYSA-N 448.397 4.029 10 20 IICD OC1CCN(c2ccc(CNC3CCN(Cc4c(F)cccc4Cl)CC3)cc2F)CC1 765288633 YWHJGLMMMLZQEV-UHFFFAOYSA-N 449.973 4.334 10 20 IICD Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(O)c1O 770466712 WSBINGRBUACXEN-UHFFFAOYSA-N 432.885 4.113 10 20 IICD COc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F 771254293 MCPXFQQJWCQMTF-UHFFFAOYSA-N 427.398 4.011 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)C2CC2)cc1 772473090 WSAVCDRAHZAYAK-UHFFFAOYSA-N 446.576 4.429 10 20 IICD Cc1ccsc1CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 773657165 LWWZYSWVQWOEBY-VBKFSLOCSA-N 436.649 4.458 10 20 IICD COc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)CCC(=O)N4C)SC2=S)cc1 773895388 AYLDVFNVGOGQBT-XSFVSMFZSA-N 438.574 4.048 10 20 IICD COc1ccc([C@@H](CO)N(C)Cc2cc(Br)cc(Br)c2O)cc1 775699871 JBMGJAFJJDIMII-MRXNPFEDSA-N 445.151 4.091 10 20 IICD Cc1cc(Br)cc([C@H](C)NC[C@@H](c2cccs2)N2CCOCC2)c1O 779005704 JYRZZYWWXMIMSZ-YOEHRIQHSA-N 425.392 4.249 10 20 IICD C[C@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1Cl 779073330 PJGWRMSXGZNUTF-KRWDZBQOSA-N 435.996 4.394 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cnc3ncc(Br)cc3c2)C2CC2)cc1 780324563 HBVAXXKQSKFHJS-UHFFFAOYSA-N 425.330 4.263 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 784029153 AHMZQKYBRRQASZ-UHFFFAOYSA-N 446.507 4.414 10 20 IICD CC[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)sc2C1 789369745 KNZMUVXBURYFRR-KRWDZBQOSA-N 440.613 4.245 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1c[nH]c2cccc(OC)c12 791250964 VGAIPOUVUQIRRO-UHFFFAOYSA-N 437.540 4.108 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 797662686 BZFOGOZWWCQGFY-UHFFFAOYSA-N 445.388 4.465 10 20 IICD C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2Cl)C1 800147786 ARADVJXUCRGQAD-OAHLLOKOSA-N 437.949 4.104 10 20 IICD CCCCN(C)C(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1 800742271 DGSRTIUQWKEBEA-UHFFFAOYSA-N 448.615 4.365 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnc(C)s1 802349794 WTIUEWJNTMKWAE-UHFFFAOYSA-N 436.585 4.400 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(F)cc1Br 806809990 NEDPXBTUNRVROC-UHFFFAOYSA-N 436.325 4.397 10 20 IICD CC[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C(F)(F)F)cc1O 810237753 VSJZQUHCGDDXLM-SFHVURJKSA-N 428.476 4.192 10 20 IICD C[C@H]1CN(S(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)C[C@@H](C)O1 863991460 WMELEDDLJKVEDH-BETUJISGSA-N 445.368 4.109 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 916220757 ZMRFRBJRXKEFSP-QHCPKHFHSA-N 435.547 4.481 10 20 IICD CC[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917020615 IMROAYSNGWRZML-LLGFUMIMSA-N 445.604 4.126 10 20 IICD Cc1cc(CC(=O)NCCCS(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 921155225 FBNLNZDUYZDNSS-UHFFFAOYSA-N 444.984 4.270 10 20 IICD CO[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 1331609610 JYTCWBUPZWBSQU-HXUWFJFHSA-N 437.462 4.083 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cncs3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775598 GMKHUWQWUYENNO-UHFFFAOYSA-N 443.912 4.269 10 20 IICD O=C(c1cccs1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830735609 RNCGUQBQNMJRHN-QGZVFWFLSA-N 448.972 4.360 10 20 IICD Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(N(C)C)cc2)c1 29053082 LSWMTKIYSQZPBA-UHFFFAOYSA-N 437.565 4.100 10 20 IICD CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 475935530 CHMWYAWNTLJVGC-UHFFFAOYSA-N 438.528 4.418 10 20 IICD CC(=O)Nc1ccc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1 726628091 XYNGNXDEDMDFNP-HMMYKYKNSA-N 425.579 4.373 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 727170421 PDPKASDCFLFCMR-UHFFFAOYSA-N 438.977 4.129 10 20 IICD O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnn(Cc2ccccc2)c1 727246643 NULYMGASEJADPG-UHFFFAOYSA-N 432.477 4.134 10 20 IICD O=C(NCCCc1nnc2n1CCCCC2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 727620399 IEQSXKGJTNFFEJ-UHFFFAOYSA-N 445.527 4.107 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CSc2nnc(-c3ccco3)n2CC)cc1 728223302 ZMGKXUFWJYBVHY-UHFFFAOYSA-N 427.574 4.155 10 20 IICD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O 729063653 KGIIWWUQRKCMRH-LBPRGKRZSA-N 440.418 4.024 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1F 731363582 JEBZRQHZTXJEAT-UHFFFAOYSA-N 431.527 4.359 10 20 IICD COc1ccc(Cn2cc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cn2)cc1 731578257 HOMZUGLRKMDQDD-UHFFFAOYSA-N 446.473 4.211 10 20 IICD CCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)ccc1=O 732371560 NRUHDUQDMSONSH-UHFFFAOYSA-N 448.306 4.017 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(CSC4CCOCC4)c3)CC2)cc1 734935637 NLTVVRSJPSGEGT-UHFFFAOYSA-N 441.597 4.462 10 20 IICD C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 738513149 JQLUZPXACJNSCG-HNNXBMFYSA-N 438.465 4.301 10 20 IICD Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 738978764 WZTFRCFOFCTSPP-UYAOXDASSA-N 425.548 4.183 10 20 IICD COCCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743091090 YYQBBMBINYXLCZ-QGZVFWFLSA-N 435.471 4.104 10 20 IICD CCOc1ccccc1[C@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(C)=O 743431433 STHLMYNNGFJIRW-QFIPXVFZSA-N 436.508 4.180 10 20 IICD C[C@H]1CCCN(CCCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 743550255 YMHKQAMPEZDYKD-OALUTQOASA-N 438.563 4.068 10 20 IICD C[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(N2CCOCC2)cc1 743564030 BRHQHAWQHFNWGT-MRXNPFEDSA-N 426.948 4.261 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 746638298 OFQDEPZJPJIHTL-UHFFFAOYSA-N 443.447 4.033 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccc(N4CCc5sccc5C4)nc3)ccc21 746763925 MSZWGAYRHJXXTL-UHFFFAOYSA-N 433.581 4.410 10 20 IICD Cc1cc(N2CCSCC2)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 747976818 IDJQUMOQLWSRCK-NRFANRHFSA-N 441.597 4.467 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(Oc2ccccc2)nc1 749419544 APAMNQTVQLMNRN-UHFFFAOYSA-N 446.551 4.082 10 20 IICD Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1-c1cccc2cccnc12 751301809 FVPFCUJUJBYXAM-UHFFFAOYSA-N 446.474 4.086 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1 751717660 UXHSFBOPNMSKOV-QGZVFWFLSA-N 431.536 4.448 10 20 IICD COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1F 753858464 SDKBLAJYFCGNTP-ZDUSSCGKSA-N 426.319 4.290 10 20 IICD COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C 755985149 MOZYBPQFGRGDLU-UHFFFAOYSA-N 442.331 4.174 10 20 IICD C[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1cc(Br)cc(F)c1O 756851835 VSWVYRBIYFVRNQ-VXGBXAGGSA-N 448.296 4.258 10 20 IICD CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1F 757195064 INIWLPMWHVDQOA-QFIPXVFZSA-N 427.545 4.399 10 20 IICD C[C@H](NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1 758407251 LIADUZBHEVYQSA-NWVWQQAFSA-N 441.547 4.285 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 759577713 CSCBIKHQFBFBRK-IOMDMTNGSA-N 436.291 4.325 10 20 IICD C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 759589262 QNYPZMSUPDMJPU-WGPYJDKQSA-N 439.464 4.113 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1 761974820 XZWHOYOABFWEFJ-QRWLVFNGSA-N 442.581 4.091 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc([C@H]3CCc4ccccc43)no2)c1)c1cccs1 762069865 JXNVCBJKUIUHRC-INIZCTEOSA-N 439.518 4.383 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1 762734960 NXJHDEVOBFTCKI-XPWALMASSA-N 429.605 4.181 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNC1CCN(C2CCCCC2)CC1 765080561 QKKICGLFHRSDCN-UHFFFAOYSA-N 425.539 4.429 10 20 IICD O=C(Cc1c[nH]c2cc(Br)ccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 767977125 UMSOWCZLZBSDMR-SFHVURJKSA-N 443.341 4.386 10 20 IICD C[C@@H](NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(N2CCOCC2)cc1 775258308 XCHVBSDKXYCADW-BCHFMIIMSA-N 439.575 4.361 10 20 IICD C[C@@H](C(=O)Nc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1)n1cccn1 776833022 LSDYIEYKRQYXHR-MSOLQXFVSA-N 437.519 4.232 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)CC2)cc1F 777726641 LLSONYHYVJDWGP-UHFFFAOYSA-N 447.470 4.392 10 20 IICD C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 779981701 SIOJNNGCTMIWNW-OAHLLOKOSA-N 439.453 4.112 10 20 IICD O=C(Nc1cccc(Br)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 786142027 MDNRRXQSFOFAQV-UHFFFAOYSA-N 441.276 4.236 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCCC3)cc2)CC1 786657385 WVSFHNDGYAPYBH-UHFFFAOYSA-N 437.559 4.013 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 786874801 ZXNVWQRGYTZWRF-GFCCVEGCSA-N 439.946 4.073 10 20 IICD CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)c1 790054463 OKHVYDONYDLUEB-UHFFFAOYSA-N 430.979 4.163 10 20 IICD CCc1c(NC(=O)NCc2cc(OC)ccc2O)cnn1-c1ccc(C(F)(F)F)cc1 792458048 YUYCQFUJBDYQJW-UHFFFAOYSA-N 434.418 4.489 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)sc1C 799187423 RMUBJKAPCAJESS-UHFFFAOYSA-N 433.580 4.482 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3CN3CCOCC3)cc2Cl)C1 800050241 QUYUTYYCBDCUIX-IBGZPJMESA-N 442.003 4.339 10 20 IICD C[C@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2Cl)C1 800147784 ARADVJXUCRGQAD-HNNXBMFYSA-N 437.949 4.104 10 20 IICD C[C@H](NC(=O)CC1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 800883359 XIHLCCRLCHWNAF-INIZCTEOSA-N 427.511 4.119 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 801912865 HDXWJQQMGYMDMS-IBGZPJMESA-N 431.544 4.448 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C(C)(C)C)n1Cc1cccs1 802698046 FWFSDGZCQITGCA-UHFFFAOYSA-N 425.602 4.158 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CCCc3sccc32)cc1 804380649 BEBBDLCCGAYBQZ-NRFANRHFSA-N 437.565 4.130 10 20 IICD Cc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 812394137 PAVISDHPXALUHD-TZIWHRDSSA-N 437.613 4.331 10 20 IICD C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 812718312 PMBIKASNPXYCMW-AUSIDOKSSA-N 431.621 4.021 10 20 IICD O=S(=O)(NC1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1)c1cccs1 813153669 SFGJMJMIMDUBDI-UHFFFAOYSA-N 442.562 4.296 10 20 IICD C[C@H]1CN(C(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)C[C@@H](C)O1 814771254 NJIWXGFMDNIXDQ-IDNOPSOWSA-N 432.592 4.241 10 20 IICD O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2cc(Cl)c(F)cc2O)N1 877850391 RSHKPVPRGJRNQZ-QHCPKHFHSA-N 426.875 4.394 10 20 IICD CN(C)c1ccc(CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)cc1 914439579 JHSIRGIXTYXGRS-UHFFFAOYSA-N 425.532 4.412 10 20 IICD CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 914850353 HNVCUHREUXJGBE-UHFFFAOYSA-N 431.539 4.358 10 20 IICD CCNC(=O)COc1cccc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 915080696 VBEPMGZXJRFPRD-UHFFFAOYSA-N 439.943 4.444 10 20 IICD CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1 915220563 BEBCZKPNNWNIMM-UHFFFAOYSA-N 449.576 4.391 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCCOCCc3ccccc3)cc2F)C[C@H](C)O1 917707812 BMTBGHTUFJIQJZ-PMACEKPBSA-N 428.548 4.095 10 20 IICD CCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918118138 WIRIZCLQJLFAFN-IBGZPJMESA-N 448.567 4.039 10 20 IICD C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N3CCN(C)CC3)c(F)c2)SC1=S 1115863443 CBHJLDFEUFOEDJ-TZGJGQJASA-N 433.618 4.357 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc(COc4ccccc4OC)o3)CC2)cc1 1319732737 HZUKJTJTYDDDBL-UHFFFAOYSA-N 436.508 4.228 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(Cc2c(F)cccc2Cl)C1 1323653711 MEGUTHCQLRPGEX-UHFFFAOYSA-N 433.980 4.416 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3sccc3F)C2)cc1 1841727230 ZUVPDHSVLPOHFJ-UHFFFAOYSA-N 437.540 4.426 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1 109715550 MCQDAPCVIFOMQH-NHCUHLMSSA-N 429.358 4.300 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 116034542 MOFASGGGPSUJLZ-UHFFFAOYSA-N 438.549 4.174 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCSc4ccccc43)cc2F)CC1 303308324 OIRZJNJVCIAXGJ-HXUWFJFHSA-N 428.577 4.004 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 726725400 BWGCVQNXGPCONT-UHFFFAOYSA-N 445.519 4.211 10 20 IICD CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 727137840 ZEOLTIDAAMLBBU-NRFANRHFSA-N 441.597 4.122 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3c(F)cc(OC)cc3F)n2)cc1 727249222 UESFCLBUUWXHHS-UHFFFAOYSA-N 426.466 4.296 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cnnc4)cc3)c2C)cc1 727518249 CGJJKJYAYMRVPL-UHFFFAOYSA-N 444.491 4.113 10 20 IICD CN(Cc1ccccc1O)C(=O)CC1(CC(=O)N(C)Cc2ccccc2O)CCCCC1 729858250 OQMIWUCOVZZMDP-UHFFFAOYSA-N 438.568 4.446 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccc(Cl)cc2)oc1=S 732527368 IOIUZNJMFDULKM-UHFFFAOYSA-N 430.961 4.452 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cc3ccccc3cc2NS(C)(=O)=O)cc1 733606689 SROOKQGMTRTQCH-UHFFFAOYSA-N 439.581 4.330 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1coc2ccccc12 734008257 APSGHEIQQNPZDS-UHFFFAOYSA-N 433.430 4.288 10 20 IICD Cc1cccnc1[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(C)C 741788716 AJMYQZIZCDAKPH-HSZRJFAPSA-N 427.504 4.091 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(c2ccc(F)cc2)CCOCC1 742802539 ZBLTWUWAPOCPFS-LJQANCHMSA-N 448.485 4.261 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(N(C)C(C)=O)cc3)sc2C)cc1 743045357 GYYUHWDQVWEVOS-UHFFFAOYSA-N 445.566 4.301 10 20 IICD COc1ccc(C2(CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CCOCC2)cc1 745767717 HDGUFHBEWYVMKY-UHFFFAOYSA-N 439.600 4.430 10 20 IICD COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 747482277 MYDKDTCSBZVHKI-UHFFFAOYSA-N 443.503 4.119 10 20 IICD O=C(NCc1ccccc1O)Nc1ccc(I)cc1Br 750626557 DFKWDKVKEDSQEM-UHFFFAOYSA-N 447.070 4.081 10 20 IICD COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1O 752597446 WWCKVEPZGQGPRK-QRWLVFNGSA-N 448.922 4.198 10 20 IICD Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)Cc4ccc(O)c(O)c4)cc3)o2)c1 753640086 IMYTZPVRPNUEPY-MRXNPFEDSA-N 429.476 4.484 10 20 IICD Cc1cnc(C(C)(C)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 754694774 ZPSCCFBRJDLMMW-AWEZNQCLSA-N 433.533 4.079 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(Br)c(=O)c2ccccc21 755703028 DQQNRESKJWSVQX-UHFFFAOYSA-N 441.373 4.239 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(Br)c(=O)c2ccccc21 755726919 JFPIRTNRHYHXKM-UHFFFAOYSA-N 429.362 4.093 10 20 IICD Cc1nc(-c2cccc(NC(=O)CN(Cc3ccccc3O)C[C@H]3CCCO3)c2)cs1 756334825 CUJRGTGRZVDAHI-OAQYLSRUSA-N 437.565 4.444 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 757858361 UMKKXWZGIYYFOO-IBGZPJMESA-N 448.914 4.484 10 20 IICD C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1 765287121 NNJYXQPMWUQAPD-IBGZPJMESA-N 444.019 4.076 10 20 IICD CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 768822543 DDGJASWSIDXBFM-NHCUHLMSSA-N 425.331 4.059 10 20 IICD Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 773192692 KOAGRKXEYFOILL-KRWDZBQOSA-N 428.483 4.121 10 20 IICD C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(NC(=O)c2ccccc2)c1 774864078 OMXUBMJJEJPAPL-HXUWFJFHSA-N 444.579 4.314 10 20 IICD Cc1cc(Br)cc(CNc2cccc(C(=O)N3CCCC[C@@H]3CCO)c2)c1O 775753174 HZMGKVCRUCYAPS-HXUWFJFHSA-N 447.373 4.452 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 777823425 SLOFTEYPWJMRSR-HXUWFJFHSA-N 439.515 4.401 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 779517462 BIYGBOHHOSNGCA-WEVVVXLNSA-N 445.443 4.002 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)cn1 790107191 CQFJEGSANOKOFS-CPNJWEJPSA-N 443.594 4.357 10 20 IICD Cc1c([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)oc2ccccc12 790238702 UVBLLDULOYETBH-IEBWSBKVSA-N 434.540 4.003 10 20 IICD Cc1onc(-c2cccnc2)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 795996560 BYUGAKLRMUBBQW-UHFFFAOYSA-N 428.439 4.045 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 798160476 UQBXCCCWNCGLDC-UHFFFAOYSA-N 440.565 4.372 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)cc2Cl)C1 800050545 XJSWSGIKILYEIB-MJGOQNOKSA-N 434.024 4.477 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccncc3OCCC(C)(C)C)CC2)cc1 806684265 SIFZFVIEMKTYRS-UHFFFAOYSA-N 440.588 4.373 10 20 IICD COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1Br 807837377 NOYSOLQGKFGQES-UHFFFAOYSA-N 435.101 4.409 10 20 IICD COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F 808114431 XWJVHMGIQMNNOH-UHFFFAOYSA-N 445.093 4.410 10 20 IICD CN1CCC([C@H]2CCN(Cc3cc(Br)cc(Br)c3O)C2)CC1 809757029 VWPSELXZBPUVHG-ZDUSSCGKSA-N 432.200 4.081 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1Br 811703692 ZXKBRUNAMOTIHJ-UHFFFAOYSA-N 444.347 4.279 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(N4CCCNC4=O)cc3)cc2)CC1 812884945 FUAKQEDQCOZDLK-HXUWFJFHSA-N 449.599 4.403 10 20 IICD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 915291016 LWAVVMZUQMLEJM-UHFFFAOYSA-N 431.495 4.016 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(Br)cc1F 1115973302 LTWRXXXHIYZNBZ-UHFFFAOYSA-N 443.382 4.395 10 20 IICD Cc1cc(C)n(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 11593141 REFQXFDCJLDGTJ-UHFFFAOYSA-N 445.466 4.325 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cc1 18150662 GONHMTYAQQZUGU-UHFFFAOYSA-N 437.565 4.134 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3ccc(OC)c(Br)c3)CC2)cc1 110359379 NRDORAQLYCYKQC-UHFFFAOYSA-N 447.373 4.184 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)cc1 302952324 KKVZQNXNLHUSNK-UHFFFAOYSA-N 437.462 4.058 10 20 IICD Cc1cc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c(C)n1-c1ccc(C#N)cc1 303145144 DMWYFVDWNORYCQ-FQEVSTJZSA-N 442.563 4.117 10 20 IICD Cc1c(CNC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)n(C)c2ccccc12 471653484 AFMJUUZMXYSYIV-UHFFFAOYSA-N 430.508 4.009 10 20 IICD Cc1cc(C)c(C)c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C 726604197 YESMWKBXPJRWJO-UHFFFAOYSA-N 438.540 4.469 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)cc1F 726629064 HOYHOMXIWNVPDO-OCKHKDLRSA-N 425.510 4.485 10 20 IICD COc1ccc(Br)cc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O 727176164 HBQXDZPMYKMOGC-OQLLNIDSSA-N 443.432 4.247 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1 729535174 LVNILZZROBDLQN-CQSZACIVSA-N 446.550 4.063 10 20 IICD Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c(C)c2)c1 729879436 APFUUTAFCSTEBJ-UHFFFAOYSA-N 431.536 4.203 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2cn3cccc(C)c3n2)cc1 732115121 SFYMGCPHCSHYNR-UHFFFAOYSA-N 428.536 4.493 10 20 IICD Cc1cc(-c2noc(CCC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n2)ccc1F 735518769 LHZXFAURXZHILA-IBGZPJMESA-N 439.487 4.030 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 739493710 JMRUFMLDVHRTDR-UHFFFAOYSA-N 431.462 4.405 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742799208 IQBJVSPISBWBTK-IBGZPJMESA-N 445.510 4.169 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(F)ccc1OCCOC 743142864 MSWCDGDUPWYRFO-UHFFFAOYSA-N 441.297 4.373 10 20 IICD C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1Cl 744473712 JFNVIPPJAVOVQT-CYBMUJFWSA-N 433.847 4.299 10 20 IICD CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 745649210 ZRUGWFQMFTZBEU-HNNXBMFYSA-N 434.581 4.017 10 20 IICD Cc1ccccc1CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 746114876 YQISVEDGDSOMHD-PMACEKPBSA-N 439.575 4.029 10 20 IICD Cc1ccccc1[C@@H](CN1CCOCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 753659579 URZYVXKCCYAXPX-XMMPIXPASA-N 445.554 4.228 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3-n3cccn3)CC2)cc1F 753880775 YGXHAKSRLXNJDT-UHFFFAOYSA-N 429.883 4.028 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(=Cc2ccccc2F)CC1 757178310 WNDLZYLPJRCCMQ-UHFFFAOYSA-N 441.522 4.315 10 20 IICD C[C@H]1C[C@H](c2cccnc2)N(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 758448982 KPATWQAEOKJFIL-HRAATJIYSA-N 430.499 4.445 10 20 IICD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCCCSc1nccs1 758617979 IJZAHBSRVYDELV-UHFFFAOYSA-N 448.614 4.472 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc(Cl)nc2)NC(=O)OC(C)(C)C)cc1 759188022 SHGXIBHPKVHDSU-IVGFIOLJSA-N 444.963 4.196 10 20 IICD CC[C@@H](C)Oc1cc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OC 761220032 SGUUNBFDQYSJGA-GOSISDBHSA-N 444.572 4.221 10 20 IICD CN(C)c1ccc(CNC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1F 761651734 QOTSVBMHSYJDQA-UHFFFAOYSA-N 438.478 4.283 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1scnc1C1CC1 762973279 MDGIKHWICFHXSU-UHFFFAOYSA-N 426.464 4.198 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCN(CCc4ccc(F)cc4)CC3)cc2F)C[C@@H](C)O1 765128394 VMBODMPXGQZVOJ-BGYRXZFFSA-N 443.582 4.375 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H]1CCc2c(Br)cccc21 765479303 HWEGZRNHKGGKJG-HNNXBMFYSA-N 440.135 4.404 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ncccc12 768148636 SMSRAVWLVXGKDU-UHFFFAOYSA-N 446.551 4.125 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)C1=O 774276764 STGQFRCZJFLPLR-UHFFFAOYSA-N 430.508 4.443 10 20 IICD CCOc1ccc(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c(O)c1 775317946 BDQUGMKGKKBJTM-UHFFFAOYSA-N 432.476 4.078 10 20 IICD C[C@H](NCc1cc(Br)cc(Br)c1O)[C@@H](O)c1cccc(F)c1 776230728 LDYARDSGCAZLMK-BJOHPYRUSA-N 433.115 4.268 10 20 IICD COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)c(C)s2)c1 777693762 DUPZFYIGXCCHCT-UHFFFAOYSA-N 428.491 4.452 10 20 IICD C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(N2CCOCC2)cc1Cl 777705893 XAXFSDQBCZCFRI-KURKYZTESA-N 430.980 4.358 10 20 IICD C[C@@H](C1CC1)n1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 779504638 MGTTXBCWMGZOOY-AWEZNQCLSA-N 437.466 4.031 10 20 IICD O=C(COc1cccc2cccnc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 780918450 INKULYRMZIUTSE-UHFFFAOYSA-N 427.451 4.000 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(N)cc1 783487185 VPEXYPXIWMPHFN-OAHLLOKOSA-N 446.482 4.026 10 20 IICD CCCCOc1cccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c1 785193232 UYWVRAZFWSIFDT-UHFFFAOYSA-N 449.345 4.321 10 20 IICD O=C(NCCc1ccc(OC(F)F)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 785413440 ZAKJZWVDPDNVOH-UHFFFAOYSA-N 446.494 4.014 10 20 IICD Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 789855425 QWTGMUIJDORWPE-HSZRJFAPSA-N 439.625 4.068 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 790712142 BBQHLIJPKMEGKQ-LJQANCHMSA-N 443.613 4.277 10 20 IICD Cc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 792836144 SLMWWSLGMCBLKS-UHFFFAOYSA-N 449.624 4.445 10 20 IICD C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)cc2)C[C@H](C)O1 792936183 RQEHHHDMGRTSGW-IRXDYDNUSA-N 449.517 4.311 10 20 IICD COc1ccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)c(O)c1 794381271 KIEKVBMFLAPIEN-UHFFFAOYSA-N 433.327 4.146 10 20 IICD CC(C)[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccnc1 797894166 UWNQBYAJFZGMND-FGZHOGPDSA-N 440.588 4.269 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NCC[S@](=O)Cc3ccccc3)cc2Cl)C1 799930432 NYYMTIPZFPQCGH-PBYQXAPXSA-N 448.032 4.324 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)cc2)CC1 805025409 ORZAMYVTJAAWQD-NRFANRHFSA-N 448.611 4.017 10 20 IICD O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1cc(Cl)cc(Cl)c1O 805103212 YIHMLEXSONUZJN-UHFFFAOYSA-N 438.355 4.173 10 20 IICD CC(C)CCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 807512113 LCXVCXRUXBZBQK-UHFFFAOYSA-N 425.312 4.379 10 20 IICD COc1cccc([C@H]2[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)CC(=O)N2C2CC2)c1 807840715 ICXVRASEIIJYNX-XLIONFOSSA-N 449.334 4.076 10 20 IICD CC(C)N(Cc1ccccn1)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807956471 OEDVCACYPGBPGF-GOSISDBHSA-N 442.991 4.025 10 20 IICD CCOCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)no1 811941367 GBENZSPTIAYHGD-CYBMUJFWSA-N 447.333 4.267 10 20 IICD CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 916678034 CIVIPNFITCVNNE-IRXDYDNUSA-N 442.535 4.356 10 20 IICD CCCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1Cc1ccccc1 917386294 KXSPWPMPDLPANR-UHFFFAOYSA-N 434.609 4.367 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=S)NCCSc3ccccc3)cc2F)C[C@@H](C)O1 917581328 VJCJMWXPOGBJJL-IAGOWNOFSA-N 433.618 4.196 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)c(C)c1 917846704 VQVUZXFINYNHNZ-UHFFFAOYSA-N 441.578 4.428 10 20 IICD COc1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1OC 918778136 ZMJJSWDXCBKBFP-UHFFFAOYSA-N 437.540 4.317 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c2C)c1 919871667 LSJJXRKOJNGYJL-UHFFFAOYSA-N 430.552 4.042 10 20 IICD O=C1/C(=C\c2ccc3c(c2)CCO3)SC(=S)N1C1CCN(Cc2ccccc2)CC1 920473954 ZUBAKAGLJUMFBQ-PXLXIMEGSA-N 436.602 4.487 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 920866994 LFPPTWMPRJAJLQ-HOTGVXAUSA-N 437.462 4.100 10 20 IICD Cc1cc(-c2nnc(CCNS(=O)(=O)/C=C/c3ccccc3)o2)c(C)n1-c1ccccc1 1257652382 MSOKLWXTONUVOS-JQIJEIRASA-N 448.548 4.277 10 20 IICD CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(F)c1 1319091077 UQRSSPKEUAOASM-DENIHFKCSA-N 440.563 4.114 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)C2=CCCC2)CC1 1826277930 DYXANSGOIFXJRT-LJQANCHMSA-N 432.948 4.095 10 20 IICD Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60860311 VDTZNTJUQICPPW-UHFFFAOYSA-N 433.512 4.181 10 20 IICD CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 116030538 QKPJEKGAXXTKMW-NRFANRHFSA-N 443.613 4.216 10 20 IICD COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C(C)C)cc1F 116605456 IMIMHCUXNHVBLO-UHFFFAOYSA-N 439.487 4.211 10 20 IICD C[C@H](NC(=O)NCCOc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cc1 726237681 CQSCZMAUKQJKSD-HNNXBMFYSA-N 438.355 4.269 10 20 IICD Cc1cccc(OCCN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726722696 VOZMDWAJJXWJHV-UHFFFAOYSA-N 433.499 4.286 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)s1 727249181 RRWHDWDBJOKZGL-UHFFFAOYSA-N 436.584 4.458 10 20 IICD COc1cccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1O 727762259 CRKRXSIOVMZCLQ-UHFFFAOYSA-N 439.356 4.207 10 20 IICD Cc1cccc(C)c1-n1nnnc1CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 731037215 XKSIYVFXTCAUDT-UHFFFAOYSA-N 448.571 4.257 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3SC(F)F)cc2)CC1 731132225 VJHUVMJXKWEOBB-UHFFFAOYSA-N 433.524 4.493 10 20 IICD COC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(F)c1 732432944 AQNNYFDZNQELGL-UHFFFAOYSA-N 437.418 4.004 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 734072198 SUMXBMCRZBXEEU-WMLDXEAASA-N 437.462 4.054 10 20 IICD COc1ccccc1C[C@H](C)N(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 743555338 WEFDVUOARBOASR-GBESFXJTSA-N 443.563 4.221 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 748774941 NVMAQRSUTFHWBM-UHFFFAOYSA-N 435.593 4.463 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 753138365 IYGMTUMZIQMVTP-UHFFFAOYSA-N 428.489 4.200 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)O[C@H](c4ccsc4)C3)cc2F)C[C@@H](C)O1 759727550 OLYRNANTMVDABY-GEYWLOKFSA-N 447.576 4.172 10 20 IICD CN(C)c1ccc(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1F 762657724 NPSTUHAVEBDNMH-IIBYNOLFSA-N 436.934 4.176 10 20 IICD C[C@H](NC(=O)NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(N2CCOCC2)cc1 765668908 JJHMPNQHGSEMGT-INIZCTEOSA-N 431.939 4.408 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C)c1Cc1ccccc1 770568538 QBBIZMZUWQOVIU-UHFFFAOYSA-N 428.330 4.141 10 20 IICD CC(C)[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1 774422564 ZDCBBGOHUDMLEM-OAQYLSRUSA-N 440.531 4.427 10 20 IICD CCOc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCO2 776229051 DFYWJOWQPAHPFV-PZJWPPBQSA-N 426.513 4.005 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 776668186 NZGTYRSAJGAYJY-ZDUSSCGKSA-N 441.366 4.006 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 777822730 KGOFMCBHWAZQPX-RBUKOAKNSA-N 430.504 4.296 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccnc1OCC(F)F)c1ccc(N)cc1 783486591 OYGVIZPDYGWBGZ-OAHLLOKOSA-N 440.450 4.041 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 784025694 HTOGUGIEDVRYJN-UHFFFAOYSA-N 435.549 4.457 10 20 IICD COC(=O)COc1ccc(N(C)Cc2nc(O)c3cc(-c4ccccc4)sc3n2)cc1 784556777 QNCCCUWSNVDQJG-UHFFFAOYSA-N 435.505 4.252 10 20 IICD Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 785298796 ZDTOXAJIOYUPIM-HNNXBMFYSA-N 438.911 4.413 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc(O)n2)c(C)n1-c1ccc(OC(F)F)cc1 787546943 PFPBZBQCPKHZPH-AWEZNQCLSA-N 430.407 4.224 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 801544862 DFYRTJQJMAESJX-UHFFFAOYSA-N 438.568 4.229 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 801623470 MSECJSLXTDPVDG-UHFFFAOYSA-N 445.585 4.401 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)c(F)c1N1CCOCC1 801920594 PBICVCOWHDVSBH-UHFFFAOYSA-N 432.927 4.238 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3nc4ccccc4s3)cc2)CC1 804163141 BPVTXXLQNSFQJD-KRWDZBQOSA-N 436.581 4.026 10 20 IICD COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Br 805048601 PYGXWRQLIYIBMB-UHFFFAOYSA-N 434.117 4.470 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 807767536 MWCPZHMGSKUSJI-IBGZPJMESA-N 430.552 4.041 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCc2occc2C1 809390575 DVQJBVDVMYTFLD-ATVHPVEESA-N 432.592 4.298 10 20 IICD Cc1nc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1-c1ccccc1 810275848 VNWUQJTZBBTWKD-NRFANRHFSA-N 443.551 4.080 10 20 IICD COc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1 812058748 JKIOUPWJHAFSJN-UHFFFAOYSA-N 444.535 4.450 10 20 IICD CN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(N2CCCCC2)cc1 813736141 UOVBOSPGGYSNPF-UHFFFAOYSA-N 434.584 4.030 10 20 IICD Cc1cc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc2nc1Cl 815000459 KCGDSWWCXVIKMU-MRXNPFEDSA-N 445.972 4.073 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 815797428 PHMWQKBLRRQAIE-PPSBMQLTSA-N 440.378 4.258 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(OCCOC)cc3)sc2C)cc1 914577327 SHPIXBQDJILDBS-UHFFFAOYSA-N 448.566 4.343 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2nc3ccccc3oc2=O)cc1 914840906 VWDAQPBMNZJJAQ-UHFFFAOYSA-N 431.492 4.009 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1c1cccc(Br)c1 919791996 LGWKHSMZOMVGNI-NRFANRHFSA-N 444.373 4.332 10 20 IICD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 919882832 FIGCXBTXYFPZLA-AREMUKBSSA-N 431.580 4.248 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN3C=Nc4ccccc4S3(=O)=O)c2C)cc1 920243443 JAYJVQGEIXYPJI-UHFFFAOYSA-N 437.521 4.040 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(N4CCOCC4)s3)c2C)c1 920307212 ZBLOJZNQAJPRJI-UHFFFAOYSA-N 428.583 4.066 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(C(C)(C)C)cs1 1116001867 QBOHTINQDQHZLE-INIZCTEOSA-N 430.618 4.210 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3ccc[nH]3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790778112 WZKDUBHRCSNQIJ-UHFFFAOYSA-N 425.872 4.141 10 20 IICD C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1818959671 ZRZLRKOFOFLDLS-SUYBPPKGSA-N 446.935 4.216 10 20 IICD CCOc1c(OC)cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 237059839 MERZNZHNVCFWGZ-QGZVFWFLSA-N 436.499 4.463 10 20 IICD COc1ccc(N2CCC(Nc3ccc(C(=O)N4CCc5ccccc54)cn3)CC2)cc1 301224445 DYBWNGKOADHWIV-UHFFFAOYSA-N 428.536 4.374 10 20 IICD CSc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 303827146 KYHYHAJVLVKSKM-PGRDOPGGSA-N 428.598 4.450 10 20 IICD COc1c(Cl)cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 726075787 NGNOZCVBBWQRDW-UHFFFAOYSA-N 428.291 4.299 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1Cl 731058797 BBPSPQVWUPOTBK-UHFFFAOYSA-N 440.930 4.290 10 20 IICD Cc1ccc(Cc2nnc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)s2)cc1 731114309 NJRYHDFFRNPLLJ-QGZVFWFLSA-N 437.569 4.157 10 20 IICD CC(C)C[C@@H]1COCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 733772901 ZEIMQWLQEFLDTE-YHZJOHHESA-N 438.640 4.003 10 20 IICD CC(C)c1sc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nc1-c1ccccc1 734975582 PSKNAJUEDXOXFE-UHFFFAOYSA-N 427.551 4.020 10 20 IICD Cc1csc([C@@](O)(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C(F)(F)F)n1 735927700 YCNFJMHUZWWLDS-IBGZPJMESA-N 440.443 4.119 10 20 IICD Cc1cc(C(=O)NCCCOC[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1 740843643 IERHEINQANHRSI-QGZVFWFLSA-N 435.362 4.030 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 743067609 APOGTAUSMJVBGA-UHFFFAOYSA-N 433.574 4.175 10 20 IICD CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 743338826 JKUZTFBPIKQHMQ-SFHVURJKSA-N 428.504 4.337 10 20 IICD O=C(NC1CC1)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 743486077 XOYOLFNKAQVPEO-WIYYLYMNSA-N 433.474 4.005 10 20 IICD CC(C)(C)c1ncc(/C=C/C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)s1 744357135 KUUILECIVQUNHQ-YVNCXZRQSA-N 439.581 4.261 10 20 IICD C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)c1ccc(N2CCOCC2)cc1 745990272 PWYTVUYZWVIJMI-GFCCVEGCSA-N 439.737 4.136 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2F)C[C@@H](C)O1 746706182 LGHGLOIJDHYLGE-CALCHBBNSA-N 426.536 4.143 10 20 IICD N=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(-c3ccccc3)ccc2O)N1)OCCCO4 749700500 LTMWSXIATXPKIC-JOCHJYFZSA-N 427.464 4.067 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(O)nc2c(Br)cccc12 749912993 ZCUVZCKZLUJTDZ-UHFFFAOYSA-N 426.314 4.233 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2F)C[C@@H](C)O1 750626407 AOSCUQXWOLWIQN-IYBDPMFKSA-N 425.504 4.280 10 20 IICD CCS[C@H]1CCC[C@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751071077 SPBBZZOOIVLBHD-ZFWWWQNUSA-N 440.612 4.049 10 20 IICD Cc1ccc(NC(=O)CSCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751305433 FEQRRFWKNHSXHT-UHFFFAOYSA-N 431.521 4.015 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754158305 CLDPEEHDTJITQV-RBBKRZOGSA-N 429.561 4.098 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(Br)c(C)c(C(=O)O)c1 755984482 KROZSMVISSUTES-UHFFFAOYSA-N 442.331 4.394 10 20 IICD COc1ccc(CCN[C@@H](C)c2cc(Br)cc(F)c2O)c(OC)c1OC 756535498 NHQKSNMCHWIDLL-NSHDSACASA-N 428.298 4.213 10 20 IICD COc1ccc(N(CC(=O)Nc2nnc(-c3sccc3C)o2)Cc2ccco2)cc1F 758004323 BVSIODKIDAPWSW-UHFFFAOYSA-N 442.472 4.493 10 20 IICD CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 760375978 OSYSYONJCRZOSN-HXUWFJFHSA-N 428.495 4.286 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccc2cc1OC(F)F 761815801 ZJRVCDSJBOEBTQ-UHFFFAOYSA-N 444.453 4.471 10 20 IICD CCC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)C(=O)N1CCc2sccc2C1 765656910 INXOBRVDRZCIIA-JOCHJYFZSA-N 427.614 4.069 10 20 IICD O=C(Cc1cc(Cl)ccc1Br)NCc1cccc(Br)c1O 765729586 PINSMMDXTOPFOE-UHFFFAOYSA-N 433.527 4.430 10 20 IICD CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 766495963 FYGWXZQVYDYPMH-UHFFFAOYSA-N 433.499 4.425 10 20 IICD Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc12 773761718 UBEZIMUPNMAWEM-CYBMUJFWSA-N 439.512 4.366 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1nc(-c2cc3ccccc3o2)cs1 776124678 ZZHPSUYMBLYBHO-UHFFFAOYSA-N 448.548 4.392 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)ccc21 778721635 ZSQGNCPYMQNVFK-FXAWDEMLSA-N 443.588 4.280 10 20 IICD CCN(Cc1ccccc1)c1ccc(CNc2cccc(C(=O)N3CCC[C@@H]3CO)n2)cc1 779521795 UCIKQUGJYCARAC-XMMPIXPASA-N 444.579 4.317 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 780389574 OTJZBVGCHHUNFU-UHFFFAOYSA-N 447.532 4.127 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3oc4c(ccc5ccccc54)c3C)cc2)CC1 786257028 KXEDPWQETMQGRA-UHFFFAOYSA-N 441.531 4.493 10 20 IICD COCCCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C 786607283 YAKIWSUIFWRONP-UHFFFAOYSA-N 430.599 4.419 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccccc4C)CCCCC3)cc2)CC1 786658590 BFVYUMKXKKFEPP-UHFFFAOYSA-N 433.596 4.182 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 789377398 ISXVGAYGHLKKQD-JENIJYKNSA-N 426.586 4.148 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cc4sc(N5CCCC5)nc4s3)CC2)cc1 793345728 FHLHKYGASYSTTQ-UHFFFAOYSA-N 442.610 4.365 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 807512636 BDKKTKLAPAZWDC-UHFFFAOYSA-N 448.184 4.114 10 20 IICD CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 808071111 MYYDJZVGQSOIJR-OFNKIYASSA-N 430.589 4.154 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3sc(C)cc3C)cc2)cc1 814210952 XLRFMRIWSUYHQE-UHFFFAOYSA-N 436.580 4.275 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N1CCCCCC1 864672608 BUXKABCUHMBJGS-RVDMUPIBSA-N 439.400 4.053 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C1CC1)[C@H](C)C1CC1 917191712 KCWYXBJXHDESPB-OAHLLOKOSA-N 427.570 4.223 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)s3)cc2F)C[C@@H](C)O1 917709999 LQWZKRXBAVJJSL-VXGBXAGGSA-N 427.339 4.193 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3sc4ccccc4c3Cl)cc2)C1 917833940 VWUSVZMIKJRPRX-HNNXBMFYSA-N 427.957 4.186 10 20 IICD CCOC(=O)CSc1nnc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)s1 918681611 MTLNMEGLJFCPAJ-UHFFFAOYSA-N 430.555 4.162 10 20 IICD CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920870724 BISWADZVGGNPMP-GOSISDBHSA-N 438.572 4.324 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 920964946 RTZMKUQFJPSCDM-UHFFFAOYSA-N 441.443 4.223 10 20 IICD Cc1cc(-c2nnc([C@H](C)NS(=O)(=O)c3cccs3)o2)c(C)n1-c1ccccc1 1257652118 IEWWKBVTFKAIQN-AWEZNQCLSA-N 428.539 4.245 10 20 IICD C[C@@H](NC(=O)N1CC(Cc2ccccc2C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 1319076270 DXEMYHGXZSRUMI-QGZVFWFLSA-N 447.501 4.487 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(NC(=O)c4cc(C)on4)CC3)c2C)c1 1339945349 GHDCYLGCYPMNPF-UHFFFAOYSA-N 434.540 4.042 10 20 IICD C[C@@H](NC(=O)N1CC(Cc2c(F)cccc2Cl)C1)c1ccc(N2CCOCC2)cc1 1340110541 RQDUWLZFXFXCIW-MRXNPFEDSA-N 431.939 4.261 10 20 IICD CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1786259418 QIPPTQRRGIMYAQ-JCSUNJAGSA-N 438.524 4.387 10 20 IICD CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821294257 BAWHAOIEUGXLFS-MRXNPFEDSA-N 434.924 4.216 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C4CC4)on2)C3)cc1 1845397853 ZCVSEBSKUZQKTA-UHFFFAOYSA-N 444.535 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 108466699 HKRLLRMDTGDJCC-IYBDPMFKSA-N 442.560 4.391 10 20 IICD C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 109190981 QLOBFHJHKRFXOB-GOSISDBHSA-N 449.576 4.352 10 20 IICD CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 113174875 VRCWVMJQMCNPGD-UHFFFAOYSA-N 435.612 4.162 10 20 IICD COc1ccc(N2CCCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)cc1 301095497 PGVZTEYTRWQRLE-UHFFFAOYSA-N 428.964 4.086 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 302810071 KOOBWBZRCJEEDL-FQEVSTJZSA-N 427.976 4.307 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1 726800293 CVBGGEVGUKRTJX-UHFFFAOYSA-N 430.913 4.014 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccn3)SC2=S)cn1 726985839 FYSYPSMISROBAM-UNOMPAQXSA-N 435.530 4.470 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNC(=O)c2c(F)cccc2Cl)cc1 730586246 FIULWIJMKPGYLQ-UHFFFAOYSA-N 443.906 4.097 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1cc(C2CC2)nn1-c1ccccc1 731844613 LDUHBWOHCZEGGZ-JOCHJYFZSA-N 446.551 4.075 10 20 IICD Cc1nc(CN2CCC(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)oc1C 732232690 RPDXZSJUSFGLJR-UHFFFAOYSA-N 441.576 4.192 10 20 IICD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 732701297 OSACMIMLXZSVSG-UHFFFAOYSA-N 445.585 4.333 10 20 IICD C[C@H](CN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1)NC(=O)/C=C/c1cncc(F)c1 733955911 SMVRXHAOQNVQBC-JLCBIUFTSA-N 448.473 4.019 10 20 IICD NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 734638069 JCYPXGFEMRWBQF-UHFFFAOYSA-N 427.461 4.210 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCN(c2ccccc2Cl)C1 743555466 ZCYAONAXOWEPTB-LJQANCHMSA-N 445.032 4.361 10 20 IICD COc1ccc(O[C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 743687258 PCZBEVCMYKWTFY-MRXNPFEDSA-N 449.498 4.032 10 20 IICD COc1cc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)ccc1OCc1c(C)noc1C 744382832 YKMAHLUIKWGZOF-LCYFTJDESA-N 435.524 4.275 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCO[C@@H](c2ccccc2)C1 745903672 IPPXEBVHGGBEEQ-SIKLNZKXSA-N 445.510 4.430 10 20 IICD COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1SC 746725011 WYRGUQDDMNCOTJ-KRWDZBQOSA-N 429.586 4.156 10 20 IICD COc1ccccc1C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C 747955643 RTOZRWCKMVJECD-YADHBBJMSA-N 426.557 4.359 10 20 IICD CN(C)c1ccc(CNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 748608351 ICYGJYZFNUPMNK-UHFFFAOYSA-N 429.446 4.160 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)s1 751137061 PQVHKTZMIPZRMH-OAHLLOKOSA-N 436.599 4.174 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 751302316 NJNZVZAJBAQQJB-KRWDZBQOSA-N 445.910 4.037 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)n1-c1cccc(Br)c1 752249705 DMCSHMJEFJFPIR-QGZVFWFLSA-N 442.361 4.001 10 20 IICD Fc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1Cl 756013949 RBINUFKKFSAPMG-UHFFFAOYSA-N 429.902 4.025 10 20 IICD COc1cc(N2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)cc(OC)c1OC 758931336 LZRXQJHKENDSND-UHFFFAOYSA-N 448.445 4.001 10 20 IICD O=C(CC1CCCC1)NC1CCC(C(=O)NCc2cccc(Br)c2O)CC1 765753026 MEGXRHIFIAVZHF-UHFFFAOYSA-N 437.378 4.026 10 20 IICD O=C(NCCOCC(F)(F)C(F)F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 765904874 JGMGPHSSPOPEMI-UHFFFAOYSA-N 426.370 4.074 10 20 IICD CSc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 766503956 CVJKKNQUTGQJLT-HNNXBMFYSA-N 427.975 4.137 10 20 IICD CC(C)(C)[S@](=O)Cc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 772043547 OHFLKBMEDTWIDX-GDLZYMKVSA-N 434.945 4.062 10 20 IICD Cc1cc(C(=O)CN2CCC3(CC2)CCN(C)C3=O)c(C)n1-c1cccc(C(F)(F)F)c1 773926306 RWTRPYJLIXDHPC-UHFFFAOYSA-N 447.501 4.240 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](CCc3ccccc3)c3ccccc3)nc12 775179256 CQZVTQKVLHORDM-JOCHJYFZSA-N 430.508 4.075 10 20 IICD C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(N(C)C)cc1 775718309 CLKJGJFVDAVHLY-KRWDZBQOSA-N 438.553 4.436 10 20 IICD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1ccc(N(C)C)cc1 776269043 HPGZDFKRVSQIDA-SBUREZEXSA-N 431.536 4.093 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1F 778595770 LDTOINRYJNVQLT-UHFFFAOYSA-N 433.911 4.121 10 20 IICD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 779491282 MLYLXYPWJOVWDC-PKNBQFBNSA-N 434.448 4.019 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 783318124 UKDLRIIIQMRKCF-UHFFFAOYSA-N 447.583 4.204 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1COCc1ccccc1 784025893 NGGUTKNFJAJXIF-UHFFFAOYSA-N 432.520 4.486 10 20 IICD C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N[C@H](C)c1ccc(F)cc1 789015132 AUCODHKMBHWMEV-CABCVRRESA-N 445.446 4.024 10 20 IICD COc1ccc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(O)c1 794379375 QIIKTUFIUJZDBW-UHFFFAOYSA-N 448.563 4.163 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2c(F)cccc2Br)SC1=S 794870301 STPKVGBJWWMHDX-LCYFTJDESA-N 432.336 4.434 10 20 IICD COc1ccc(CNC(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)c(O)c1 797620135 KOUWZIXHSJEEFW-UHFFFAOYSA-N 426.444 4.449 10 20 IICD COc1ccccc1[C@H](CO)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 799993246 FIHWHHGGQDAEPN-JXFKEZNVSA-N 431.964 4.118 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(N(C)C)cc1 802568032 KUUSQRAIMOSXKG-ZDUSSCGKSA-N 428.945 4.345 10 20 IICD Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 807836935 UYFTYZGQXCGVTA-GFCCVEGCSA-N 427.353 4.384 10 20 IICD CCCc1nc(C)c(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1 817046195 GPGMWBCIHJAJNF-LFIBNONCSA-N 449.623 4.295 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc2n1 916457580 GKAUDBSAKBTXLZ-UHFFFAOYSA-N 429.442 4.329 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ncc(Cc2ccccc2)s1 916671266 LELAELPEQBIJCK-UHFFFAOYSA-N 436.581 4.264 10 20 IICD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C1 917697708 KOGAPURFBFTUOP-KDURUIRLSA-N 441.597 4.206 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc4cnccc34)n2)c1 917722968 SMLWSVGSGTVNIZ-UHFFFAOYSA-N 427.507 4.176 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC(c3ccccc3)c3ccccc3)cc2)C1 917832807 GYBGEHYNDUJPIC-DEOSSOPVSA-N 441.575 4.227 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1Cl 917911264 DGIGCKCJNHOHPI-UHFFFAOYSA-N 431.410 4.334 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1 918036524 ZPDUFKKSIKGRBB-LJQANCHMSA-N 436.556 4.031 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 919791830 AKNBLYZUXKRRFH-JOCHJYFZSA-N 425.529 4.313 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)CC2)cc1 919914591 IIRDRMPBKYJXGG-QFIPXVFZSA-N 439.556 4.387 10 20 IICD C[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 920882730 XEMHMZBTYAZKRZ-MRXNPFEDSA-N 431.374 4.441 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCCS2)C3)cc1 1800515801 XDQTVOCOJOHQRS-MALNDZBISA-N 437.609 4.242 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 302794397 URLMJWXZRNRVBG-UHFFFAOYSA-N 439.971 4.453 10 20 IICD CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1 303727207 XZYMBGMILQQPTL-LQIBPGRFSA-N 434.446 4.473 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 726717645 BGHOIWUTLBEIMA-IBGZPJMESA-N 430.980 4.225 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2c(c1)CC(=O)N2C 728409003 MQGSOGWQBGXURX-MRXNPFEDSA-N 441.491 4.437 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1 732595687 UTXAZFZEKQVRRG-UHFFFAOYSA-N 438.572 4.081 10 20 IICD Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2)cc1 734404533 JLNXPEISYLRDIX-UHFFFAOYSA-N 436.577 4.273 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(COc4ccccc4)cc3)c2)CC1 739767871 HJJNBYNVCRWTKS-UHFFFAOYSA-N 429.520 4.220 10 20 IICD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 740482878 HFBSDJKFWDNPLR-OAQYLSRUSA-N 427.501 4.014 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742244472 NIMUJYYMPWBWTB-QFIPXVFZSA-N 448.394 4.283 10 20 IICD COc1ccc(S(=O)(=O)Nc2cccc(CNCc3cc(C)c(C)cc3O)c2)cc1 742371369 SSKYEZKMDMTGBD-UHFFFAOYSA-N 426.538 4.108 10 20 IICD Cc1noc(C)c1CN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 742595409 FPFZMVUQEDPWGV-UHFFFAOYSA-N 432.528 4.463 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)NC(=O)OC(C)(C)C)cc1 742750382 MLUOVBXGAANMRA-OAQYLSRUSA-N 440.519 4.369 10 20 IICD C[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753618 KPZYTZWMDASYHP-QMMLZNLJSA-N 433.593 4.030 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)NC(=O)OC(C)(C)C)cc1 742755018 ULKCGPWENPQYRJ-FPOVZHCZSA-N 441.597 4.152 10 20 IICD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742802416 YEYLCVWLZZKVPX-CQSZACIVSA-N 437.468 4.074 10 20 IICD COc1ccc(N2CCC(NC(=S)NCc3ccc(OC(F)(F)F)cc3)CC2)cc1 742992541 KHDJFQKAAFXVDZ-UHFFFAOYSA-N 439.503 4.227 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCn1cnc2ccccc21 745331511 SIJRHPRPTJAVDQ-UHFFFAOYSA-N 431.334 4.126 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 745645791 QVGIQIJRZLHUNS-UHFFFAOYSA-N 448.567 4.396 10 20 IICD C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 747830732 GPCRTEKRHHHUGX-KRWDZBQOSA-N 425.529 4.361 10 20 IICD CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OCC 748862807 WOWKLWWLTLWYAN-UHFFFAOYSA-N 432.586 4.295 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2c(Br)cccc2[nH]1 751337737 UFNSKGLZVRRFHV-UHFFFAOYSA-N 430.371 4.414 10 20 IICD COc1ccc([C@H](CNCc2ccc(OCc3ccccc3)cc2O)N2CCOCC2)cc1 753546240 DIRRZMYQJJQWLR-SANMLTNESA-N 448.563 4.143 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)NCC2(c3cccc(Br)c3)CCOCC2)c1 756477979 BHLYAFGJLUMDFM-OAHLLOKOSA-N 448.357 4.340 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 756608942 MNSYIGGDXHEJED-MSOLQXFVSA-N 438.540 4.017 10 20 IICD CN(C)c1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1F 760809418 GQZKRVAVQMOEAN-UHFFFAOYSA-N 431.467 4.456 10 20 IICD Cc1ccc(C2(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CCOCC2)cc1 761983043 QSUGDSIWSIWIIJ-JOCHJYFZSA-N 442.987 4.183 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCN(c4ccc(N(C)C)cc4)CC3)cc2F)C[C@H](C)O1 765128318 UGLFOKSCVKGSMC-PMACEKPBSA-N 440.607 4.264 10 20 IICD C[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765602724 WJUFWZVBGBZZNF-MSOLQXFVSA-N 438.012 4.474 10 20 IICD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1cc2c(cc1O)OC[C@@H]2O 768442493 RCLHLLJCMBVNHW-NRFANRHFSA-N 441.549 4.489 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 771601238 ISKAYYSWWWGZEL-UHFFFAOYSA-N 439.556 4.071 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1O 774879016 GHJPUSCHABKCGH-MRXNPFEDSA-N 431.247 4.328 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1O 779014532 WVNWEGIEWRQMQG-DOTOQJQBSA-N 446.389 4.016 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)c2csc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1 779117212 QIOVXTMEVKFHAO-GFCCVEGCSA-N 435.452 4.162 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1O 780554417 BPYBJTPOHGULRN-OAHLLOKOSA-N 429.355 4.043 10 20 IICD C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 783932904 HSJXSOSQVOIAPG-AWEZNQCLSA-N 435.933 4.054 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 784024822 UXZCIRFGNLHZDY-UHFFFAOYSA-N 445.519 4.330 10 20 IICD CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058469 WCVHVOBQZQBAIG-UHFFFAOYSA-N 446.555 4.413 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(-c4ccccc4)ns3)cc2)CC1 784704512 YIPRGVGVMOICAM-UHFFFAOYSA-N 434.565 4.301 10 20 IICD CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc(Cl)cc(F)c1O 800543771 KVEARTGRRIZMIZ-UHFFFAOYSA-N 435.746 4.147 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1 802552085 NBRBQTZAYODFFU-UHFFFAOYSA-N 434.515 4.297 10 20 IICD CSCc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 804968653 HUFBVFULHVHJDJ-CALCHBBNSA-N 431.577 4.302 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 810310867 FOWBSCJVAWMTEW-UHFFFAOYSA-N 444.526 4.456 10 20 IICD CSC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCN(C)CC1 811914157 BYOWMEVMEWFZDG-QGZVFWFLSA-N 439.069 4.203 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CCc3nnn(C)c3C2)sc(C)c1-c1ccc(C)cc1 812836354 ZTBPHJXRFNONPA-INIZCTEOSA-N 438.553 4.081 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nc(C2CC2)ncc1Br 813799435 LVSJLYNKQARSRI-UHFFFAOYSA-N 429.362 4.379 10 20 IICD C[C@H]1CN(c2ccc(CNC(=N)Nc3ccc(OC(F)(F)F)cc3)cc2F)C[C@H](C)O1 849069949 XSRPJQUSRINHCP-KBPBESRZSA-N 440.441 4.474 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 916224684 PCWBBFUSCONFNZ-QHCPKHFHSA-N 435.547 4.481 10 20 IICD C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCc2sccc2C1 916619962 HBIMUPNZQKWMBJ-LJQANCHMSA-N 426.630 4.327 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1Cl 917897284 DSXKZSMTBAKJQD-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1SCC(F)(F)F 918304722 VZYCXYSFTDQZSL-UHFFFAOYSA-N 439.503 4.394 10 20 IICD CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920060590 WAHZDBBHYCGKTN-KCZVDYSFSA-N 428.621 4.040 10 20 IICD CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OC(F)(F)O4)C2=O)cc1 920473949 ZOIVRNFRHANKHD-LZYBPNLTSA-N 434.445 4.372 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCCOc3ccccc3)cc2F)C[C@@H](C)O1 1115869399 GNRNVEYDWRMYIR-RTBURBONSA-N 429.536 4.098 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@H](C)c2cnn(C)c2C)sc(C)c1-c1ccccc1 1337747638 REFNACJYIFCNLW-CQSZACIVSA-N 440.569 4.231 10 20 IICD Cc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)c(C)n1-c1ccc(C#N)cc1 303230550 YHAGZLBUTGKALI-UHFFFAOYSA-N 426.520 4.018 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CSc3ccnc4ccccc34)cc2F)C[C@@H](C)O1 303332382 BTKPOCTZYZYCLO-CALCHBBNSA-N 439.556 4.396 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)CC1 303376946 LNZKMTQBHIIGBY-UHFFFAOYSA-N 433.600 4.068 10 20 IICD Cc1c(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)n(C)c2ccccc12 471238741 WHQPCGPDEZNEQD-UHFFFAOYSA-N 429.973 4.370 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2OC(F)F)c1 728836191 UNELQNPQPCCMRT-UHFFFAOYSA-N 425.435 4.032 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccn(Cc3ccccc3)c2=O)cc1 728839062 WHRIKMNIAPGCNB-UHFFFAOYSA-N 443.469 4.167 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1 728980089 VHJATJFLKAJJCZ-INIZCTEOSA-N 437.492 4.488 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1 730031272 LWMREJDEUIEXSR-GFCCVEGCSA-N 430.302 4.148 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c3ncccc23)cc1F 731408701 UNFJFUUONITFDV-UHFFFAOYSA-N 428.895 4.128 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)c2C)cc1 740827749 CFDCOEVGACDYEP-ZHRRBRCNSA-N 441.572 4.478 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCN3Cc3ccccc3)cc2F)C[C@@H](C)O1 741145551 GEBUPRNGLPKZAL-OHUGHZGNSA-N 439.575 4.110 10 20 IICD COc1cccc(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC 742799882 DUJIVSVIQVOKLP-KRWDZBQOSA-N 434.483 4.023 10 20 IICD O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801655 RPQDEPAEQICGIY-CQSZACIVSA-N 428.838 4.245 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)cc1)C1CCCCC1 743421510 JQPXHHHKMPZLJC-UHFFFAOYSA-N 431.483 4.312 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1nc2ccccc2n1CC 745784984 FJRFBOAGIDDFMM-UHFFFAOYSA-N 445.361 4.299 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccccc2F)C1 745903598 HSKIWZAJTFWDDX-HRAATJIYSA-N 449.473 4.179 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1OC 749011212 QIWZXCRNIJYKQG-UHFFFAOYSA-N 426.466 4.215 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1F 753820561 AWNUTEFGNTUMRD-AWEZNQCLSA-N 447.461 4.172 10 20 IICD CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(-n4c(C)ccc4C)cc3)ccc21 753829143 WZFABICRFYHCNT-SFHVURJKSA-N 430.504 4.431 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)ccc2O)cc1 756471750 XIUBSOGOHGQLCT-CQSZACIVSA-N 441.391 4.036 10 20 IICD CCc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(Br)cc(Cl)c3O)C2)ncn1 756710959 HHLPQSPAQUCGAT-SWLSCSKDSA-N 439.785 4.480 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Br)cc1 760469081 BTNVJXHGNYJZRU-NQIIRXRSSA-N 430.390 4.392 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(N4CCN(C(C)C)CC4)CC3)c2C)c1 761036791 JODSEWSUMQNOTF-UHFFFAOYSA-N 436.644 4.342 10 20 IICD CCOCCC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1 763273486 XHYSGWYPOJNPQA-UHFFFAOYSA-N 428.495 4.145 10 20 IICD Cc1cccc([C@@H](NC(=O)NCc2cccc(Br)c2O)c2ccccn2)c1 765537045 WAIAPJIETOKQAH-LJQANCHMSA-N 426.314 4.447 10 20 IICD Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765978728 HHDRPOZKLYVBPN-KRWDZBQOSA-N 441.622 4.204 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCOC2(CCCCC2)C1 769095654 PCRQDQBOEAJAKP-GOSISDBHSA-N 437.531 4.438 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1-c1ccccc1OC 769292925 WDOQGJBNIURKHV-UHFFFAOYSA-N 444.329 4.226 10 20 IICD CCO[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 770261838 KTLPQIKIAZZQTD-IXFSTUDKSA-N 429.536 4.016 10 20 IICD O=C(Nc1cccnc1Br)NC1CCN(c2ccc(OC(F)F)cc2)CC1 770281769 ACDNPNNZPFLGBO-UHFFFAOYSA-N 441.276 4.236 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)ccc2Br)cc1 771935713 SREXBEUZFSPJNH-UHFFFAOYSA-N 427.339 4.008 10 20 IICD CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccc(N4CCC[C@H](C(N)=O)C4)cc1)(C2)C3 772316795 CQPWBLPNFDZCQM-OOZYBXPMSA-N 437.628 4.391 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CCN(C(=O)CC)C2)sc(C)c1-c1ccc(C)cc1 772971986 ORSNGPLXEQHBRN-KRWDZBQOSA-N 428.554 4.406 10 20 IICD CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1Br 775291484 IUROYVRJCROQAU-UHFFFAOYSA-N 441.347 4.148 10 20 IICD C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 775376790 RWORYWJYVUTBQM-KBMIEXCESA-N 431.559 4.356 10 20 IICD CCN(C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1)CC(F)(F)F 776133720 JWEPGAXSKCFMQH-HXUWFJFHSA-N 440.554 4.339 10 20 IICD COc1cc(Cl)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 776409058 QTBLVWMCNUJEBC-UHFFFAOYSA-N 436.807 4.285 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1ccc(OCCN(C)C)cc1 776668671 RQPHQCAZGAIFEZ-GHXNOFRVSA-N 447.373 4.157 10 20 IICD CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 777708106 LYKAUSQRLAJYFU-ZWKOTPCHSA-N 449.592 4.053 10 20 IICD COc1cccc(C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)c1 780471689 KYXHBPKYRBQWGZ-LJQANCHMSA-N 444.531 4.254 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 784556038 OWEOWHOTVALZLT-UHFFFAOYSA-N 428.510 4.016 10 20 IICD Cc1ccc(Br)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 786849822 KSSXDKWJSNKVBN-SFHVURJKSA-N 432.362 4.040 10 20 IICD C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc(C(F)(F)F)c1O 788820469 VMLREEHRLVXWLG-MCMMXHMISA-N 447.457 4.487 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc(OC)c1OC 790592080 UJCYEWGASFAVLR-LDADJPATSA-N 433.526 4.295 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)CN3CCn4cnnc4[C@H]3C)c2C)ccc1Br 792376847 YXFOWSJIXIHWRM-MRXNPFEDSA-N 442.361 4.016 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 801946943 QRFCJZACVXOESZ-KBMIEXCESA-N 435.572 4.147 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1 802552885 RAXBVDGRXLNYFT-INIZCTEOSA-N 443.975 4.290 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 802609448 AWPKGDKPZGBIRY-UHFFFAOYSA-N 434.496 4.050 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccc(C(F)F)cc3)cc2Cl)C1 807176841 XVKHVXBIAXOITC-HNNXBMFYSA-N 449.929 4.447 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(N2CCCCCC2)c1 807512688 DTJAPQUAVLSTMF-UHFFFAOYSA-N 436.339 4.334 10 20 IICD OC[C@@]1(CNCc2cc(Br)cc(Br)c2O)C[C@H]1c1ccccc1 811512265 JMJKDBONTRFGQC-YJBOKZPZSA-N 441.163 4.173 10 20 IICD C[C@@H](N[C@H](C)c1ccc(Br)cc1OCCCO)c1cc([N+](=O)[O-])ccc1O 812739999 KGTCQQIYTUFKDS-CHWSQXEVSA-N 439.306 4.236 10 20 IICD Cc1cc(C(=O)Cn2cnc(C(F)F)cc2=O)c(C)n1-c1ccc(Br)cc1 813577673 AGCUNOVYNIHYOJ-UHFFFAOYSA-N 436.256 4.234 10 20 IICD CN(CCC(=O)N[C@@H](c1ccccc1)c1cccs1)Cc1ccc(N2CCOCC2)cc1 813734195 LLRZUWGSWNYPCV-SANMLTNESA-N 449.620 4.312 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1)[C@@H]1C[C@H]1C 815594845 ZNMCFRZOLKOHPX-MZNJEOGPSA-N 448.567 4.192 10 20 IICD Cc1cc(C(=O)O[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c(C)n1-c1ccccn1 914903338 KJSKDHWORSLIJT-QGZVFWFLSA-N 448.548 4.303 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(Cl)c1F 915290270 AWPNNGMLOOTVKB-UHFFFAOYSA-N 426.878 4.175 10 20 IICD O=C(NCc1ccc(Br)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 916594089 PNTDWFZSVATGEB-CQSZACIVSA-N 425.348 4.107 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 916670660 CJVKVOBTLWFAKE-UHFFFAOYSA-N 427.476 4.026 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 916739797 WDXQLZLXGFPVTK-VWLOTQADSA-N 443.547 4.357 10 20 IICD Cc1cc(-c2csc(N3CCC[C@@H](C)C3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 917625618 RSFGQTOENYPDLM-CQSZACIVSA-N 430.599 4.101 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC 918660843 QQKZEURKVHZNQP-UHFFFAOYSA-N 441.553 4.425 10 20 IICD CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2F)CC1 1317946789 UCXXOUXCLUNSDN-CPNJWEJPSA-N 431.533 4.122 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1O 1321519187 KFKWPXWPQIBUAP-XMMPIXPASA-N 442.515 4.277 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 726288742 MWTXQLJNQRNYDR-UHFFFAOYSA-N 443.547 4.361 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCN1Cc1ccccc1 726565857 LXEUCJZPQXBPHD-JOCHJYFZSA-N 429.511 4.038 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(SC(F)F)c3)cc2)C1 727597573 ICKASJZQNHCMMW-OAHLLOKOSA-N 434.512 4.025 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCNc3ccc(C(F)(F)F)cn3)ccc21 728515415 BOAKBSJXKZLUQM-UHFFFAOYSA-N 434.462 4.160 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2ccc(F)c(F)c2)CC1 729596595 KUPXFHZEJUGEJF-UHFFFAOYSA-N 447.501 4.154 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 731282027 GZGTUGVGUNERTL-IBGZPJMESA-N 442.579 4.356 10 20 IICD CCS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 732581206 QXYBJPWGJDHBBF-UHFFFAOYSA-N 443.496 4.067 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 738298285 HLNNOWWDMXVKKX-HXUWFJFHSA-N 439.600 4.312 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1c(Cl)cccc1Cl 740908179 XMKHLSFINXSXFR-SFHVURJKSA-N 440.396 4.079 10 20 IICD C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 741082082 WYVFWFPSQJDRPI-HYBUGGRVSA-N 448.611 4.461 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)OC)cc1F 743141981 PCQAOCVNBUKVHZ-UHFFFAOYSA-N 425.254 4.134 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 748946422 DEBBUWLKGMYEHR-UHFFFAOYSA-N 431.558 4.009 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CCCCS2(=O)=O)sc(C)c1-c1ccc(C)cc1 753487900 PMIDXZUTWCYWMF-INIZCTEOSA-N 435.567 4.114 10 20 IICD CCCCCOC1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 754358072 WRTWHYWHUMRKBU-SFQUDFHCSA-N 438.640 4.147 10 20 IICD C[C@H](NCc1csc(N(C)C)n1)c1cc(Br)cc(Br)c1O 756638604 UYCQVZNVDDROHZ-QMMMGPOBSA-N 435.185 4.291 10 20 IICD CC[C@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1cccc(Cl)c1 759221923 RTXGAPLTFILJII-IBGZPJMESA-N 447.963 4.349 10 20 IICD C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(N(C)C)cc1 765078730 KRHKTXDKYGMXBL-FQEVSTJZSA-N 433.575 4.464 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1 765080109 KJBMHDAXWBWEOR-LJQANCHMSA-N 447.670 4.121 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(N(C)C)ccc1Br 766322734 XUGMTNFOOKKUIN-UHFFFAOYSA-N 427.364 4.453 10 20 IICD CN(Cc1cccc(Br)c1O)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 768929640 JHZHHQADEQSESF-CQSZACIVSA-N 434.252 4.045 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cnc(-c4ccccc4)s3)cc2)CC1 768952522 GMQYHRXYPMMDBN-UHFFFAOYSA-N 434.565 4.301 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCc2cccc(F)c21 769597304 QBXQQSQPBGAROY-FOWTUZBSSA-N 432.567 4.458 10 20 IICD CSc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 770746813 VNQREDOUDRBOGP-HNNXBMFYSA-N 449.523 4.042 10 20 IICD C[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 773024604 MNIXRVSHALNXIQ-HAWMADMCSA-N 437.403 4.280 10 20 IICD C[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N(C)C)cc1 773243698 DEHUGLRZNTZKAO-IRXDYDNUSA-N 445.405 4.402 10 20 IICD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCCC2)c1 775402463 BSSTZXXXOWMOML-LJQANCHMSA-N 428.598 4.333 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](CC)c1cc(Br)ccc1O 775523571 LFNXTLHNNCVFFZ-MAUKXSAKSA-N 426.376 4.448 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)CC2)cc1 778728372 HMCYISBFANQOIX-KRWDZBQOSA-N 446.954 4.035 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 780834095 UIBOYIGTCAIBEY-DEOSSOPVSA-N 447.583 4.147 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1-c1ccccc1)c1ccc(N)cc1 783483341 UBFYZTYQUKKHHB-SFHVURJKSA-N 425.492 4.187 10 20 IICD CC(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 786077655 YHDKAVZMTVUQEA-IRLDBZIGSA-N 444.959 4.067 10 20 IICD COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1 787003573 YSUQWECVWVNUBU-MRUHUIDDSA-N 449.954 4.280 10 20 IICD C[C@H](NC(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccc(N2CCOCC2)cc1 788306072 CKYDUOPLLJQHKJ-INIZCTEOSA-N 425.920 4.245 10 20 IICD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1C(F)(F)F 790926165 HBWUXKAKMGBVMC-UHFFFAOYSA-N 449.473 4.205 10 20 IICD COc1cc(Br)cc(CNCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1O 793332080 ZWVHUQNRHJPZIC-UHFFFAOYSA-N 441.366 4.210 10 20 IICD Cc1onc(-c2cccnc2)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 796746994 SLRKUSSSBOIZJH-INIZCTEOSA-N 428.439 4.045 10 20 IICD O=C(O)c1ccoc1CSc1ccccc1C(=O)N1CCSC2(CCOCC2)C1 799249469 FKMVCAKTNPCUMQ-UHFFFAOYSA-N 433.551 4.008 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnc(OCc3ccccc3)c2)cc1 800596478 ACDPGBALXDWJQW-UHFFFAOYSA-N 446.551 4.104 10 20 IICD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(C)c1 800636348 JUFSAUBFLHHQIU-OAHLLOKOSA-N 429.948 4.148 10 20 IICD Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3C)C2)cc1 802172746 MLQJEFAQRNPSSL-HXUWFJFHSA-N 437.588 4.113 10 20 IICD COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802444295 XIANCWHIFXQENE-UHFFFAOYSA-N 440.979 4.267 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1 802610784 QXIITNLHUHHLTB-UHFFFAOYSA-N 437.584 4.188 10 20 IICD C[C@H](c1ccc(Br)cc1F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 804188195 JYGHIWXYFOAQAL-SNVBAGLBSA-N 441.684 4.473 10 20 IICD Cc1cc(C(=O)N[C@@H](c2nncn2C)C(C)C)c(C)n1-c1ccc(Br)cc1 804258097 LYYVJYQYMFPLMP-GOSISDBHSA-N 430.350 4.112 10 20 IICD Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C 806440504 XKEVCKIFCXICCQ-WMZHIEFXSA-N 426.630 4.039 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO1 812277804 YYOREKFECRXHEA-AWEZNQCLSA-N 449.374 4.290 10 20 IICD COc1cc(N2CCN(C(=O)C3(c4ccccc4C)CCCC3)CC2)cc(OC)c1OC 813168288 LMNMMOMHISEJIN-UHFFFAOYSA-N 438.568 4.181 10 20 IICD CCN(CC)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NCC(N)=O)cc1 837497552 BLHOIWXNEHIBJN-KNTRCKAVSA-N 442.563 4.173 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)CC2)cc1 915278202 VHVBMNOLLQRAQC-UHFFFAOYSA-N 447.510 4.357 10 20 IICD Cc1nc(-c2ccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)cs1 918032662 GRYNWZOQKVCCTM-LJQANCHMSA-N 449.580 4.142 10 20 IICD COCc1ccc(CNC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1 918953780 UIYFAVUZHCWIKH-UHFFFAOYSA-N 433.464 4.427 10 20 IICD O=C(O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S 920396876 BJSHUBGYCSKENX-LDADJPATSA-N 431.510 4.471 10 20 IICD O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1cccc(F)c1F 1253536626 VZHLGAAZBFPWJV-UHFFFAOYSA-N 437.306 4.114 10 20 IICD Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4ccc(-n5cccn5)cc4)cs3)cc2o1 1320670154 WPLHBDBCYXOKAQ-UHFFFAOYSA-N 437.506 4.246 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2c(ccc3ccccc32)c1C 1325382229 JMCJWOSXOMEVSM-IBGZPJMESA-N 433.460 4.210 10 20 IICD Cc1cc(-c2nnc(CNS(=O)(=O)c3ccc(Cl)s3)o2)c(C)n1-c1ccccc1 1345673515 LGISTLBSWMGRHS-UHFFFAOYSA-N 448.957 4.338 10 20 IICD O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933370 XCHFZBWAMLJZNG-BQYQJAHWSA-N 447.482 4.481 10 20 IICD Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2C(C)C)cc1 303056341 ZFCWDQPDUHJASL-UHFFFAOYSA-N 446.595 4.443 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(COc3ccc(F)cc3)c2)n(C)c2ccccc12 501441642 QXDCYFCYQIMKLR-UHFFFAOYSA-N 445.494 4.460 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726272316 HVIUNFAWEWUWPU-QUCCMNQESA-N 432.609 4.320 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726613224 OXDIMBCVKZHPFP-SFHVURJKSA-N 438.572 4.148 10 20 IICD CC(C)(Cc1ccc(Br)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 727601885 DRDIMUHTFBRTGV-UHFFFAOYSA-N 446.389 4.106 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 729047123 AMHSOTYBJXHTBV-UHFFFAOYSA-N 431.540 4.426 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1F 731363544 IKTHIWGLCLWTHL-UHFFFAOYSA-N 430.543 4.275 10 20 IICD COC(=O)CN(Cc1ccc(OCc2ccncc2)cc1)Cc1cc(Cl)ccc1O 732203317 XETWFZCLEGGGSP-UHFFFAOYSA-N 426.900 4.195 10 20 IICD O=C(NCCCSc1nccs1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 733975020 VJKPPYFMHNLPFC-UHFFFAOYSA-N 430.020 4.009 10 20 IICD Cc1cc(C(=O)NCCCOCC2CCOCC2)c(C)n1-c1cccc(Br)c1 740841268 OCYCXCHPAYZDRA-UHFFFAOYSA-N 449.389 4.420 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 742475921 GDXBMXGSPRCBBJ-UHFFFAOYSA-N 435.597 4.283 10 20 IICD CCCc1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 742753646 LBIXNZDBTUXVJE-KRWDZBQOSA-N 432.590 4.157 10 20 IICD O=C(Nc1ccc(N2CCCC2=O)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743078248 JCGYJWFBKDFDEB-KRWDZBQOSA-N 444.482 4.205 10 20 IICD CCn1ncc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21 743126827 CWXVXALNBZLNFY-KRWDZBQOSA-N 429.471 4.448 10 20 IICD CCOCCCN1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@@H](C)C1 745826764 DDDCPYKOFDZODA-REWPJTCUSA-N 431.621 4.374 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(OC2CCCC2)CC1 745906400 ZXRFCUYHSAVLEL-KRWDZBQOSA-N 437.531 4.390 10 20 IICD CC(C)CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 746947802 URZNOHJCVAGXMN-UHFFFAOYSA-N 445.554 4.336 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 747496284 VELSNGDUJXPTIN-HHHXNRCGSA-N 432.612 4.485 10 20 IICD COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 749012117 YFOFPOGCXNDYFT-UHFFFAOYSA-N 442.440 4.123 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(C)n1-c1ccc(Cl)cc1 753027944 YTTRHJTVZOJHPY-JOCHJYFZSA-N 436.943 4.064 10 20 IICD C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)c(Cl)c1O 756464737 HGJGUFZROCECNE-HNNXBMFYSA-N 425.356 4.261 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 756723816 MAFRNGKKJNUGOB-WHDAMIPWSA-N 439.375 4.185 10 20 IICD COc1cc(N2CCN(Cc3coc(-c4cccc(Cl)c4)n3)CC2)cc(OC)c1OC 759878266 KQVJUIZYXVLBCH-UHFFFAOYSA-N 443.931 4.343 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)[C@@H](C)c2cn(-c3ccccc3)nn2)c(C)n1-c1ccccc1 760303316 ALGGJLIDSSRVSR-IBGZPJMESA-N 448.548 4.034 10 20 IICD C[C@H](N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1 764775293 JQWAZOWQDNGZLB-AOMKIAJQSA-N 428.939 4.489 10 20 IICD C[C@@H](CCc1cccc(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765281058 NJATUGPJEIIZFZ-IBGZPJMESA-N 437.538 4.192 10 20 IICD CCOC(=O)c1c(NC(=O)CN(C)CC2CCOCC2)sc(C)c1-c1ccccc1 767708799 SQSMEAUFZXQJSB-UHFFFAOYSA-N 430.570 4.197 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768915077 IWFALDSETMRLHD-QGZVFWFLSA-N 447.004 4.138 10 20 IICD COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 769067300 YUIGIOKOWLMOPR-UUOWRZLLSA-N 435.524 4.275 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 769289279 CDVKUOHXXLPTET-IBGZPJMESA-N 445.357 4.198 10 20 IICD CCO[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 770496679 YNKMPAAZVDCRPR-OAQYLSRUSA-N 433.499 4.334 10 20 IICD COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3cc(OC)ccc3O)n2)cc1 775369296 MYXJQGQTNACLED-ZIAGYGMSSA-N 427.526 4.211 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2OCC2CC2)cc1 782424941 JBCJKBZQMYHBHT-UHFFFAOYSA-N 447.535 4.302 10 20 IICD CCCOc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782429258 WGXNCSOBDRDDHE-UHFFFAOYSA-N 435.524 4.302 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)c1ccc(N)cc1 783483089 NAHBCQIHIAEKHR-KRWDZBQOSA-N 432.528 4.098 10 20 IICD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 784674710 NYDFDDGWDSIEMZ-UHFFFAOYSA-N 434.565 4.314 10 20 IICD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)c1 794107877 PLKWKAIETIMMRD-ZRDIBKRKSA-N 446.459 4.179 10 20 IICD COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1ccc(OC)cc1O 794369490 GLSGTMVLDGEIMX-UHFFFAOYSA-N 427.478 4.003 10 20 IICD COc1ccc(N(CCC(C)C)CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 796506288 YGRMUGDUBOSJEN-UHFFFAOYSA-N 443.632 4.235 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 797631588 ZCWJMHSHJKZESR-HUUCEWRRSA-N 429.517 4.436 10 20 IICD COc1ncc(/C=C/C(=O)N(Cc2ccccc2Br)c2cncc(C)c2)cn1 799400061 NPBRMZJVYAZSOE-BQYQJAHWSA-N 439.313 4.198 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1 802188139 YGESUNBAPWRSRS-QFIPXVFZSA-N 447.583 4.115 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 807180782 MGPUUNQEGCSIJG-ZCYQVOJMSA-N 433.596 4.163 10 20 IICD COc1ccc([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1OC 807602686 JQOLNBAOOGASCY-HKUYNNGSSA-N 428.529 4.170 10 20 IICD CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)s1 808526446 QMTCJULQLPQNPZ-UHFFFAOYSA-N 430.536 4.179 10 20 IICD CN(C)c1ccc(CNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cc1F 815150816 FFXPYNLPCPCNDG-UHFFFAOYSA-N 430.911 4.219 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccc(Cl)s1)c2[N+](=O)[O-] 914526547 AHEDIOHYMWAOJO-UHFFFAOYSA-N 426.837 4.015 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)Cn1ccccc1=O 916438607 SBNUVAGSBVYJFX-LJQANCHMSA-N 429.442 4.160 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 917309542 AXGSBOABBLRDMC-UHFFFAOYSA-N 432.564 4.497 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccc(Cl)s3)cc2F)C[C@@H](C)O1 918221635 QKODAKCGJMYWOQ-OKILXGFUSA-N 425.957 4.496 10 20 IICD CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 1116505066 KIHHPDFCUKMDDC-KRWDZBQOSA-N 439.947 4.449 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC(F)(F)C2)cc1 1847221253 QRZHPGHOCTYECC-HJNYFJLDSA-N 441.522 4.345 10 20 IICD CCn1c(/C=C/c2cnc3c(c2)c(C)nn3C)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 303139788 QWRLVDGBNHYUCR-VMPITWQZSA-N 449.458 4.110 10 20 IICD CCc1ccc(NC(=O)Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cc1 445316995 LOIXYMPGJQWPGJ-UHFFFAOYSA-N 446.532 4.005 10 20 IICD Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 726918449 OLVQDYCWNKJQQR-GJZGRUSLSA-N 443.544 4.323 10 20 IICD O=C(Nc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccco1)Cc1ccccc1O 728121387 VKGZEGDAGYJOOV-UHFFFAOYSA-N 425.460 4.195 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc21 728637017 GOSIQLDZFLFQPR-GOSISDBHSA-N 436.508 4.291 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c1 728948129 WUKPSDDJTKAOLG-FHWLQOOXSA-N 425.573 4.439 10 20 IICD CCN1CCN(c2ccc(CNc3nn4cc(-c5ccccc5)nc4s3)cc2F)CC1 730108873 UTVBVLQTFREUMJ-UHFFFAOYSA-N 436.560 4.351 10 20 IICD CC1CCN(c2ccc(CNc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc2)CC1 731028743 NPYWIEAOQIYEHC-UHFFFAOYSA-N 428.602 4.105 10 20 IICD CCCO[C@H]1CCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 731031330 ZTSYXPBCXJDHOH-NSHDSACASA-N 432.271 4.060 10 20 IICD CCN(CC)C(=O)c1ccc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1 731363527 IGIDPAJNACTIAD-UHFFFAOYSA-N 428.552 4.153 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1 732064693 AVYFHDQEECOXDW-SFHVURJKSA-N 428.483 4.388 10 20 IICD CCOc1ccc(N(C)CC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 739923095 VSBGUAUKHHEWDO-UHFFFAOYSA-N 434.536 4.445 10 20 IICD O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801365 PWUSAOZQHPSIEL-OAHLLOKOSA-N 448.495 4.117 10 20 IICD O=C1CCc2cc(F)c(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 743092409 YMAJCETYWDYSTH-CQSZACIVSA-N 448.445 4.102 10 20 IICD O=C(Nc1cnn(Cc2ccccc2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903550 KVRRSGQMSWNVRY-GOSISDBHSA-N 441.482 4.323 10 20 IICD Cc1cc(=O)n2nc(CSc3ncc(-c4ccccc4)n3CC(F)(F)F)sc2n1 748031810 RBATYSATORAZKU-UHFFFAOYSA-N 437.472 4.178 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(Br)c3)CC2)cc1F 753894162 HMWDYIGZUBWTEC-UHFFFAOYSA-N 426.261 4.090 10 20 IICD C[C@@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc2ccccc2c1O 756466373 QAMGZVDSVIBZOU-NQIIRXRSSA-N 434.536 4.070 10 20 IICD C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc([N+](=O)[O-])ccc1O 756862240 CXFGSKQTYLNLDO-ACJLOTCBSA-N 437.418 4.161 10 20 IICD Cc1sc(NS(=O)(=O)c2ccccc2Cn2cncn2)nc1-c1cccc(Cl)c1 758384937 OTPREKVZECTGFI-UHFFFAOYSA-N 445.957 4.213 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 758809922 QOMSJCKIZXMTQY-PKOBYXMFSA-N 426.561 4.255 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 760787413 HJCGUGLZYWANJU-UHFFFAOYSA-N 448.748 4.282 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 761807081 RZLLQDZQTLKPTQ-XMMPIXPASA-N 434.584 4.010 10 20 IICD CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 765129041 ZJXQASXEJKJKRI-FGTMMUONSA-N 449.592 4.052 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc(OCc2ccncc2)cc1 765282693 WTEQJPZHBAOJNC-UHFFFAOYSA-N 428.286 4.450 10 20 IICD C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 771765430 OLMHDWNMNZKZFJ-CYBMUJFWSA-N 438.406 4.333 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 772153656 YTLFRBDBSRPMLD-PKOBYXMFSA-N 428.558 4.254 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 772473651 ZMNAZALIXCKUIA-UHFFFAOYSA-N 443.506 4.110 10 20 IICD C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 776237794 IRFOQXVGCUFXMG-CYFREDJKSA-N 430.552 4.363 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 777826091 GUTXLOKFRKYROL-GOSISDBHSA-N 440.503 4.080 10 20 IICD Cc1ccnc(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)n1 784107266 COUDASRIOSHVEH-UHFFFAOYSA-N 429.524 4.196 10 20 IICD CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cc(O)cs1 786000849 AEGLDVOJKSRGGN-AWEZNQCLSA-N 426.332 4.046 10 20 IICD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)nn1 786019023 HAFOQLGDSYELSN-UHFFFAOYSA-N 429.423 4.142 10 20 IICD COc1ccc(N2CCC(NCc3noc(-c4cccc(Br)c4)n3)CC2)cc1 790945106 FDLKZLDOSIJUNA-UHFFFAOYSA-N 443.345 4.266 10 20 IICD CSc1ccccc1CN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 791897024 MBJUFZJVQLZRDO-UHFFFAOYSA-N 446.484 4.364 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](c4nccn4C)C3)cc2Cl)C1 799994971 SUJLLIAHHJXODP-IEBWSBKVSA-N 429.996 4.399 10 20 IICD CC(C)C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 807292398 PXYNUTCSJTXNRK-JOCHJYFZSA-N 425.960 4.236 10 20 IICD Cc1cc(C(=O)NCc2nc3cc(Br)ccc3o2)c(C)n1-c1ccccn1 808249944 OENYQQAOGNSOBB-UHFFFAOYSA-N 425.286 4.323 10 20 IICD CC(C)OCc1nc([C@@H](C)NCc2cc(Br)cc(Br)c2O)no1 811519364 ZSQWDBLAEOYCFB-SECBINFHSA-N 449.143 4.076 10 20 IICD Cc1cnn([C@@H]2CCN(C(=O)c3cc(C)n(-c4ccccc4Br)c3C)C2)c1 812380937 RCBQAHCEOQMSQU-QGZVFWFLSA-N 427.346 4.449 10 20 IICD CCOc1ccc([C@H](O)C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1 812903624 VPBVJAJLJLIMIP-KOSHJBKYSA-N 425.573 4.368 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1 813855526 PUCFZNRBFHZNEG-MRXNPFEDSA-N 436.325 4.104 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCSc3ccccc31)c2[N+](=O)[O-] 821951223 UIMFAAPCRWCRDK-UHFFFAOYSA-N 430.441 4.123 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 915061407 YZYLFOQBUJUUTB-UHFFFAOYSA-N 435.568 4.314 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2F)C[C@@H](C)O1 917087296 WZPVIXRIPINAJY-CALCHBBNSA-N 432.503 4.180 10 20 IICD Cc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(C)n1-c1cccc(Br)c1 918082973 LQVWJUBWQDGCKH-UHFFFAOYSA-N 426.314 4.137 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2)C1 918118289 XZYYUJRQKZURBO-DENIHFKCSA-N 440.975 4.088 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccn3Cc3cccs3)cc2F)C[C@@H](C)O1 918324782 XMCRVCMWJJXXGZ-CALCHBBNSA-N 427.545 4.281 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2N2CCCCCC2)C2CC2)cc1 918455568 DDDLHAOPUGUMNU-UHFFFAOYSA-N 434.584 4.263 10 20 IICD C[C@H](N[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920867616 VXNAFJZDZLLJIR-HFZDXXHNSA-N 429.564 4.232 10 20 IICD Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1254721408 RQNQTOMPIJANMN-HGHGUNKESA-N 428.598 4.459 10 20 IICD Cc1cc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1 1347442304 MULZNOWUDFMCLQ-QFIPXVFZSA-N 435.572 4.148 10 20 IICD CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 23183471 INFXFXBWYBZAAD-UHFFFAOYSA-N 441.478 4.482 10 20 IICD Cc1c(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)n(C)c2ccccc12 552822972 PAUIWJMJLGYSSQ-KRWDZBQOSA-N 427.957 4.110 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1O 725853355 PNYLYCXWCMWRBU-UHFFFAOYSA-N 442.903 4.363 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc(OC)c1 726627883 VSDKUILBCGNXIM-XSFVSMFZSA-N 428.579 4.432 10 20 IICD COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OC)c1 726722612 SYSSXTLWXBXHBL-UHFFFAOYSA-N 449.498 4.116 10 20 IICD COc1cc2nc(C)sc2cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 726848031 QXVRVEKKLBAFMD-UHFFFAOYSA-N 440.569 4.144 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)c2C)cc1 728556810 XDAKEJUNTZUDOX-QHCPKHFHSA-N 431.580 4.397 10 20 IICD C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)NC(=O)C1CCCCC1 728839089 XPRLVTNLBOMVOE-INIZCTEOSA-N 427.511 4.119 10 20 IICD CCCCN1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731220880 XAPVLDNMRVFVJV-FQEVSTJZSA-N 438.563 4.211 10 20 IICD CCCCNC(=O)Cc1noc(-c2cc(C)n(-c3cccc(Br)c3)c2C)n1 731785749 JSZPGYAVJLPHAA-UHFFFAOYSA-N 431.334 4.365 10 20 IICD O=C(c1cc(Br)cnc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 731858249 JBCCNWDGEFXATL-AWEZNQCLSA-N 425.710 4.025 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3Br)CC2)cc1 732737265 GFDGNRYYMNBSFT-OAHLLOKOSA-N 433.346 4.010 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cccc2cnccc12 732911155 PRGJLYQXHKMXEZ-UHFFFAOYSA-N 433.518 4.345 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1C 739765485 JAEQSYAOCAKURV-UHFFFAOYSA-N 430.552 4.357 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 740905287 DZAFCNBVJMQMRZ-UHFFFAOYSA-N 444.510 4.454 10 20 IICD COc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 743413114 AXCJWPVUDMLDTQ-UHFFFAOYSA-N 429.948 4.372 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1ccc2nc(O)[nH]c2c1 743809571 XGGIEDRMLFAKLG-UHFFFAOYSA-N 432.318 4.108 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 744865081 BXBAUXWMJUYNBK-QHCPKHFHSA-N 445.007 4.011 10 20 IICD Cc1cc(C(=O)NCCn2cnnc2C(C)C)c(C)n1-c1ccc(Br)cc1 746283687 KGQRHICUNWIBGN-UHFFFAOYSA-N 430.350 4.002 10 20 IICD CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)ccc21 747847429 DKZLXEMGJLUSEQ-UHFFFAOYSA-N 433.580 4.280 10 20 IICD Cc1cc(C(=O)N(C)Cc2nnc3ccccn23)c(C)n1-c1ccccc1Br 749384002 LQGNHLCVUBWBEK-UHFFFAOYSA-N 438.329 4.172 10 20 IICD CC(C)[C@H](CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C 749552688 QTTJXVFFFCRXQC-NRFANRHFSA-N 432.609 4.368 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cs2)cc1 751937829 WXQFJWSBCWOPEV-UHFFFAOYSA-N 436.449 4.236 10 20 IICD COc1ccc(N2CCN(C(=O)c3sc(Cc4ccc(F)cc4)nc3C)CC2)cc1F 753739254 BEUXTKIHQWEVEE-UHFFFAOYSA-N 443.519 4.292 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(Br)c(Cl)c3)cc2)C1 755196138 UJFPQSXJOFDZHO-INIZCTEOSA-N 436.781 4.094 10 20 IICD C[C@H](NC[C@@](C)(O)c1ccccc1)c1cc(Br)cc(Br)c1O 756573773 RFOGHZUUCCEPCW-APPDUMDISA-N 429.152 4.476 10 20 IICD C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O 756758046 DSSWJMUSWBIMJQ-PELKAZGASA-N 429.664 4.012 10 20 IICD CN1C(=O)N(Cc2ccc(N3CCCC3)cc2)C(=O)[C@@H]1c1cccc(Br)c1 761088221 BWCDLXITTOHESY-IBGZPJMESA-N 428.330 4.185 10 20 IICD CN(Cc1ccccc1O)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 761744874 AAYSDZGZNCOOKR-UHFFFAOYSA-N 443.594 4.263 10 20 IICD CCOc1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OCC 765250148 BDZFASDFCMVQQA-GHTZIAJQSA-N 425.573 4.037 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(NC(=O)c2ccccc2)cc1 765747446 NJFKXCMALSTYNI-UHFFFAOYSA-N 425.282 4.337 10 20 IICD COc1ccc(N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C(C)C)cc1F 767890456 BGDYAAGWOVQCLX-UHFFFAOYSA-N 431.464 4.325 10 20 IICD CC(C)N(Cc1cccs1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769732854 RCBMHLUOCQIBES-UHFFFAOYSA-N 436.580 4.367 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 774236382 XARVZWCBXXNTGL-GBESFXJTSA-N 437.531 4.105 10 20 IICD CC(C)(NCc1cc(Br)cc(Br)c1O)C(=O)NCC1CCCC1 776252065 MKRREICWSDLCCW-UHFFFAOYSA-N 448.199 4.092 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CC1 780632075 GGMJYFGIOLEMKE-SQJMNOBHSA-N 427.589 4.186 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3cccc4ccccc34)C(F)(F)F)nc12 781349705 WAQBZTASTDWJCY-LJQANCHMSA-N 444.413 4.158 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccnc1N1CCCCC1)c1ccc(N)cc1 783482607 IRKYNFFUJHAKMZ-LJQANCHMSA-N 443.551 4.387 10 20 IICD COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(O)c1 785697369 FPUWBCZXFLMGAP-LFIBNONCSA-N 434.564 4.082 10 20 IICD C[C@H](C(=O)Nc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1)n1cncn1 792863565 NGXKVHCYQPSGMR-CQSZACIVSA-N 432.450 4.175 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 801949342 BZLMICZAURVYIZ-HXUWFJFHSA-N 429.572 4.490 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 803708916 CMEQVRGOFGXVHX-UHFFFAOYSA-N 446.551 4.027 10 20 IICD Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(O[C@@H]2CCOC2)c1 805200791 HNOTWARFTMHIAD-MRXNPFEDSA-N 425.312 4.175 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1-n1cccn1 805742036 ASIPPQWUXRZUFV-IBGZPJMESA-N 446.551 4.117 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1116118977 CGVFXGDBQGPREN-XMMPIXPASA-N 427.552 4.184 10 20 IICD O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1787876798 XQCFMPDUQKVVEF-UHFFFAOYSA-N 442.821 4.451 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)C3CC3)[C@H]2c2cccnc2)cc1 1813716623 DPQYUTPCIBNSPJ-UKILVPOCSA-N 442.563 4.219 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2[nH]cc4c2CCC4)C3)cc1 1845398834 IXCBFWGRWIUKBP-UHFFFAOYSA-N 442.563 4.042 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1 106159172 ANGLISLEOMLYEA-UHFFFAOYSA-N 449.576 4.326 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)CC2)cc1 108429980 SZKSUGLTGVRPCX-UHFFFAOYSA-N 436.531 4.496 10 20 IICD COc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OCCC(C)C 302997294 MHODJQVKWSBGNF-UHFFFAOYSA-N 444.547 4.150 10 20 IICD Cc1cc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)c(C)n1-c1ccc(C#N)cc1 303205872 PTKCZCXKQKPHMN-DEOSSOPVSA-N 426.564 4.260 10 20 IICD CCN(Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)c1)C(C)=O 435555798 ZMNJPDUVHXXENU-UHFFFAOYSA-N 446.595 4.415 10 20 IICD CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 482926923 DLEDZVWGKLSQTK-KRWDZBQOSA-N 435.568 4.363 10 20 IICD CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725887327 HJXZCLOXHITGEM-DEOSSOPVSA-N 445.563 4.313 10 20 IICD O=C1CCCN1Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 726102166 IOMMEWOBJIOSRW-UHFFFAOYSA-N 433.508 4.020 10 20 IICD CN(C)c1ccc(CN(Cn2nc(-c3cccnc3)n(C)c2=S)CC(F)(F)F)cc1 728903930 BBFBNDURYUKZTD-UHFFFAOYSA-N 436.507 4.101 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1 733730756 GCWDWFWXLBZRMK-UHFFFAOYSA-N 431.358 4.444 10 20 IICD C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 733847275 ZASHKMQMWJEZME-UNMCSNQZSA-N 430.662 4.036 10 20 IICD O=C(/C=C\c1ccccc1OC(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 735827849 DKXAKMAFBGZHQM-YFHOEESVSA-N 434.458 4.124 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2Cl)NC(=O)OC(C)(C)C)cc1 742751149 RVDYFHMGEODCLD-LJQANCHMSA-N 447.963 4.167 10 20 IICD O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743085575 MYDNITNFEYZCSU-SFHVURJKSA-N 444.482 4.427 10 20 IICD O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743181531 OYGRNHQZMUIMNH-LAUBAEHRSA-N 447.482 4.246 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccc(F)c(Cl)c1)c2[N+](=O)[O-] 751252103 UHFICQZBAQJJAU-UHFFFAOYSA-N 438.798 4.093 10 20 IICD C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 758448985 KPATWQAEOKJFIL-KKSFZXQISA-N 430.499 4.445 10 20 IICD Cc1cc(C(=O)CN2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 759875052 MDUBXTBINKPJSS-PEGYKEAPSA-N 426.504 4.139 10 20 IICD COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1Cl 765680693 YYLDKKQPHTVXPQ-GJZGRUSLSA-N 435.927 4.101 10 20 IICD COc1ccc(-c2nc(C(=O)NCc3cccc(Br)c3O)cs2)cc1OC 765731219 HVCDGKKDLVMVMX-UHFFFAOYSA-N 449.326 4.225 10 20 IICD COc1cc(Br)cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 766486860 ULGQUYSXSBNFJK-CQSZACIVSA-N 434.334 4.177 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 767923675 RPRGTPORKKMUCO-UFYCRDLUSA-N 432.486 4.481 10 20 IICD COc1ccc([C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C(C)C)cc1 774393618 YLGHJQNRTAEGAU-RUZDIDTESA-N 449.574 4.438 10 20 IICD CC[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1O 775510906 AQSOUVHNPJXWIX-KRWDZBQOSA-N 430.420 4.366 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3cccc4cccnc34)cc2F)C[C@@H](C)O1 776283753 VMVFFZHXLJPMRV-IAGOWNOFSA-N 439.556 4.396 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccc(CNCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2C1 780574819 SLPJSLDSYIVSPK-UHFFFAOYSA-N 433.892 4.494 10 20 IICD COC(=O)c1ccc(COc2ccccc2CNCc2ccc(N3CCOCC3)cc2)cc1 783601306 UVPWWIKMFZTVCN-UHFFFAOYSA-N 446.547 4.179 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1CCCCS1 784110139 BIUNQIQRXHFKDN-AYYGCFCKSA-N 426.654 4.131 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@@H](c2ccccn2)C1 798716398 QUIZEGIOWWHWJH-QLENYVDCSA-N 443.619 4.141 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)NCC4)cc2Cl)C1 800542054 ZLKPDIVMYFBZIO-OAHLLOKOSA-N 426.948 4.184 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Oc2ccccc2)cc1 804132260 RZMCGKJXSYHVSC-HXUWFJFHSA-N 441.531 4.349 10 20 IICD CCCN(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCCc2cccnc21 805023580 JXTOAIRRDRFFBQ-DEOSSOPVSA-N 448.611 4.250 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ncc(Cc2ccccc2F)s1 806790054 RWPBMHHNFFSNNY-UHFFFAOYSA-N 440.544 4.374 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc(Br)s4)n3C)CC2)cc1 809830350 WASWSRLJPHDNLR-UHFFFAOYSA-N 448.390 4.031 10 20 IICD CSCc1cccnc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 810448116 VDALIFOTJGGAMC-IBGZPJMESA-N 444.601 4.006 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[C@@H]1OCCc2sccc21 814679964 UMWNCMTVMMJRRN-NYDSKATKSA-N 428.598 4.272 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 916484182 XAOIQTVYZADHLB-MJGOQNOKSA-N 428.529 4.170 10 20 IICD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cccc(N2CCCC2)c1 917697725 LFCSWIJIBOYHBM-IBGZPJMESA-N 441.597 4.411 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)s3)cc2F)C[C@H](C)O1 917709995 LQWZKRXBAVJJSL-RYUDHWBXSA-N 427.339 4.193 10 20 IICD CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917711354 FYBLAEVPZKVQRU-GJZGRUSLSA-N 446.592 4.313 10 20 IICD Cc1sc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)nc1-c1cccc(Cl)c1 917850324 ATMPDTGJJILFPC-UHFFFAOYSA-N 435.958 4.275 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(SC(F)F)cc3)cc2)C1 918026468 GASUNEONJAMTBI-OAHLLOKOSA-N 434.512 4.025 10 20 IICD COc1c(F)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 918048325 VVKSYTAHGFDLNN-UHFFFAOYSA-N 445.388 4.151 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCOC1CCCCC1 918680511 PKJKOLFYTDCKBS-SAPNQHFASA-N 438.640 4.195 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)sc2n1 918992900 PJSIMCIDNFQSCW-GFCCVEGCSA-N 433.480 4.150 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(N3CCOC3=O)c2)cc1 919656826 BSYHWVRMEHDGHL-UHFFFAOYSA-N 448.523 4.214 10 20 IICD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1F 920008351 RXVOANRPMKAMDH-UHFFFAOYSA-N 433.549 4.099 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(OCC(F)(F)F)n1 1256124463 XNGYDJPUWRDHSR-UHFFFAOYSA-N 436.478 4.355 10 20 IICD Cc1cc(CN2CCCN(C(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)no1 1322220720 HGBZONNAQYAOBH-UHFFFAOYSA-N 440.975 4.321 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1 1792272394 XXKWLBXSPYKPJX-WUXMJOGZSA-N 436.508 4.141 10 20 IICD Cc1ccoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1827741661 MDVNATOLHVMREK-GOSISDBHSA-N 446.931 4.200 10 20 IICD CCN(CC)c1ccc(-c2nnc(SCC(=O)NCc3ccc(N(C)C)cc3)o2)cc1 18482976 QZDFBHQLPKHBMY-UHFFFAOYSA-N 439.585 4.057 10 20 IICD C[C@H](OC(=O)/C=C\c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 206747842 RORQBEJJZMCNSE-FPAJZGIOSA-N 431.469 4.107 10 20 IICD O=C1/C(=C/c2ccc(N3CCCC3)cc2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 216293869 UFRLZVZGGBRKJL-AQTBWJFISA-N 433.455 4.448 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)cc1 303599019 USSGDPBTHPXUEF-UHFFFAOYSA-N 441.531 4.498 10 20 IICD OCC1CCN(c2ccc(CNC(=S)NCc3cccc(C(F)(F)F)c3)cc2)CC1 726468982 XJIGABNURKDAQS-UHFFFAOYSA-N 437.531 4.078 10 20 IICD COc1ccc(N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)Cc2cccs2)cc1 727142731 SAJRIQOTQBURQL-UHFFFAOYSA-N 435.549 4.294 10 20 IICD CCCN(CCC)C(=O)c1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 728517114 XOZBHLIFTLERMK-UHFFFAOYSA-N 439.625 4.432 10 20 IICD CC(C)(C)n1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(-c2ccccc2Cl)n1 731156866 OBKHHHMVEJBXNM-ATVHPVEESA-N 430.961 4.261 10 20 IICD Cc1ccnc(-c2ccc(NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)n1 734484311 QQIYESNJEHVFOV-UHFFFAOYSA-N 448.482 4.278 10 20 IICD O=S(=O)(Cc1ccccc1Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742333969 BIGXWOGSVXAKGX-HNNXBMFYSA-N 430.904 4.030 10 20 IICD CSc1ccccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753634 KVGINCGRFVZCST-LJQANCHMSA-N 429.586 4.470 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)c(Br)c1 743230062 VHZUIEANTNYSJG-UHFFFAOYSA-N 436.325 4.119 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 743716961 CRZYRKVCEFELRN-UHFFFAOYSA-N 436.533 4.002 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 743956320 QMKZHTNBKXGVBB-UHFFFAOYSA-N 436.458 4.471 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746309873 JWOAPPHGPNGAKI-XZOQPEGZSA-N 443.588 4.177 10 20 IICD O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754540024 ZZGGMPOQASDBCC-UHFFFAOYSA-N 425.469 4.162 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1O 757279221 ZQGUACGZWNNICM-GOSISDBHSA-N 449.576 4.172 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 763996992 IAJNGVNYQJQHJB-UHFFFAOYSA-N 443.519 4.282 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2F)C[C@@H](C)O1 764353654 ISJQWVOVMWCWJS-WOIUINJBSA-N 440.563 4.225 10 20 IICD CN(C)Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc2ccccc12 768916645 RYZHRFLOLCNMMV-SFHVURJKSA-N 441.959 4.248 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 768983508 OGVVRZDMABLGDI-HXUWFJFHSA-N 439.453 4.497 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CC2)cc1 769409989 YZOQGXJKROBYNB-UHFFFAOYSA-N 429.369 4.090 10 20 IICD Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 769753266 PXOJKNBUURWIPE-MRXNPFEDSA-N 440.521 4.464 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2O)cc1OC 775487155 IOJCQIUJSVGEES-INIZCTEOSA-N 441.355 4.463 10 20 IICD CC[C@@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cc(Br)ccc1O 775565064 CPLYUIYTGCTCPJ-KBXCAEBGSA-N 426.376 4.366 10 20 IICD Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1 782550896 UADDBFPTBLVSDF-UHFFFAOYSA-N 445.441 4.435 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1)c1ccc(N)cc1 783484531 FDSQQTJPNSUUOH-IBGZPJMESA-N 439.519 4.247 10 20 IICD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)ncn1 786117293 WGYKNHGICKANEI-UHFFFAOYSA-N 433.386 4.131 10 20 IICD CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cc3oc4ccccc4c3cc1O)C2 789466641 BGBDDSFITGZYBJ-UHFFFAOYSA-N 436.533 4.100 10 20 IICD CCn1cc(-c2nn(C)cc2C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1 800048765 BUTUHLMJTCQZFE-INIZCTEOSA-N 440.979 4.123 10 20 IICD CC[C@@](O)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1 800478006 RIYWLVPFICVSQH-QFIPXVFZSA-N 438.902 4.324 10 20 IICD COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807623936 SPCPZPWRUFONHH-INIZCTEOSA-N 428.504 4.079 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(Cc3cccs3)C3CC3)cc2Cl)C1 807956343 MGUVRNQSEQZIFB-MRXNPFEDSA-N 446.016 4.445 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc(Cl)cc(C)c3O)CC2)cc1 808687376 QKWODDGCPNWDEA-MRXNPFEDSA-N 437.005 4.467 10 20 IICD COC(=O)c1cc(C(C)(C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1 812211635 CFJMEOMPRQRVMZ-AWEZNQCLSA-N 448.951 4.085 10 20 IICD O=C(COC(=O)[C@H]1CCCN1c1ncccn1)Nc1ccc(N=Nc2ccccc2)cc1 912953503 OEAQUKPXASFLGL-HXUWFJFHSA-N 430.468 4.043 10 20 IICD COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 913072252 LKNGRIXTAITVOK-UHFFFAOYSA-N 432.523 4.023 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 913093597 YVZGNYHIWWUKGJ-UHFFFAOYSA-N 442.440 4.416 10 20 IICD CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 915902220 UYJROIOZXHRWLA-PKTZIBPZSA-N 425.573 4.166 10 20 IICD O=C(NCCc1ccc(N2CCCCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 916634984 LLAVXKLPUVXAKO-XMMPIXPASA-N 437.584 4.316 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccn(Cc4ccccc4)n3)cc2F)C[C@@H](C)O1 916711743 ZTUWVYKSTSUNBW-QZTJIDSGSA-N 437.519 4.006 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)ccc1Cl 919968867 ZFMJDSOTKIJVLO-UHFFFAOYSA-N 437.765 4.241 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3c(F)cc(F)cc3OC)sc2C)cc1 1318679064 VGCUVVSIUARTRY-UHFFFAOYSA-N 426.466 4.215 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2cccnc2)C3)cc1 1845398114 ZUQWHWBXNINCMM-MDWZMJQESA-N 440.547 4.020 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cnc(SC)n3-c3ccc(F)cc3)CC2)cc1 110358085 SAGMJIIFUVIXPK-UHFFFAOYSA-N 440.544 4.141 10 20 IICD COc1ccc2cc(CN(C)C(=O)CN(Cc3ccccc3O)C[C@@H]3CCCO3)ccc2c1 302833698 PTJKLTIGCVOXSY-VWLOTQADSA-N 448.563 4.194 10 20 IICD Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn2ccc(Br)cc2n1 516520207 MXSUOCHVAFJNAC-GHXNOFRVSA-N 427.327 4.429 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCNC(=O)CC2CCCCC2)cc1 726259667 FPIXMUOFLGDRLN-UHFFFAOYSA-N 440.588 4.144 10 20 IICD Cc1cc(Br)oc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567197 MZAFYYSXOUAYTD-UHFFFAOYSA-N 429.261 4.351 10 20 IICD O=C(COc1ccc(F)c(Cl)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567828 QMESGOZHZMZKLQ-UHFFFAOYSA-N 428.838 4.245 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCC(=O)c1cccs1 731567229 PZIANFNKSZFKDZ-UHFFFAOYSA-N 439.484 4.265 10 20 IICD O=C(Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)c1ccccc1 731858790 NNKIMYZJMXNCJY-QHCPKHFHSA-N 430.504 4.466 10 20 IICD O=C(NCCCSc1nccs1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 733972857 NKJCQZULJBIKKF-UHFFFAOYSA-N 430.452 4.399 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)ccc1C 737380074 GPQSDVGRDOZARI-UHFFFAOYSA-N 446.510 4.094 10 20 IICD COc1cc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)c(SC)cc1OC 741277341 WGVLZOFNMZWTML-UHFFFAOYSA-N 427.570 4.144 10 20 IICD CN(c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1)C1CCCCC1 742636957 BDOHRHZQJRLGMJ-UHFFFAOYSA-N 441.597 4.209 10 20 IICD CSc1ccccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753632 KVGINCGRFVZCST-IBGZPJMESA-N 429.586 4.470 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cs1 743045815 AEBHHBQSGIBKIX-UHFFFAOYSA-N 428.944 4.421 10 20 IICD COc1cc(F)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 743148533 PBKDBQKRSSPOBR-CYBMUJFWSA-N 439.434 4.235 10 20 IICD O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 743719906 ZSIOTSUPAMELDL-XMMPIXPASA-N 428.532 4.449 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 743888785 DVLGUHOQKNZCRE-UHFFFAOYSA-N 433.474 4.379 10 20 IICD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc2o1 743957976 GHOMDPODDLMQCP-UHFFFAOYSA-N 435.524 4.256 10 20 IICD Cc1oc2c(CN3CCO[C@@H]4C[C@H](N(C)C)CC[C@H]43)c(O)ccc2c(=O)c1-c1ccccc1 746647381 INLGRMLKDHHTSL-ZFJSRUIDSA-N 448.563 4.158 10 20 IICD CCn1cc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21 748182439 ULMSZVNOKUPLPM-UHFFFAOYSA-N 445.485 4.376 10 20 IICD COc1ccc(N2CCCN(C(=O)CCc3ccc(Br)c(C)c3)CC2)cc1 751238964 KHAFEGYBXFUENU-UHFFFAOYSA-N 431.374 4.438 10 20 IICD COc1cc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)cc(OC)c1OC 759885739 GMTVYMPVORXGAP-UHFFFAOYSA-N 431.583 4.220 10 20 IICD Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)cn2)n1 765070477 JVALPRYRITVKHL-SFHVURJKSA-N 425.964 4.225 10 20 IICD C[C@@H](NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 765699043 AQWBQABPZAYFAL-IRLDBZIGSA-N 428.020 4.392 10 20 IICD C[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 769398447 ISMNUSODQGCXRO-CQSZACIVSA-N 429.369 4.011 10 20 IICD Oc1cc2c(cc1CNc1cccc(N3CCN(CCc4ccccc4)CC3)c1)OCO2 770748705 UNLUBNJXFLPKQI-UHFFFAOYSA-N 431.536 4.098 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 778926821 YOTJZZMFYYQIPJ-UHFFFAOYSA-N 441.281 4.043 10 20 IICD COc1cc(O)c(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1OC 789596179 JICCLPHZEZFUIC-HNNXBMFYSA-N 425.312 4.001 10 20 IICD Cc1cc(C(=O)CN(C)Cc2nncn2C(C)C)c(C)n1-c1ccc(Br)cc1 795647418 DHNNERSLZFLUFP-UHFFFAOYSA-N 444.377 4.344 10 20 IICD CCOc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2ccccn2)cc1 799943757 TYRKVPKDIDNMTF-UHFFFAOYSA-N 426.483 4.244 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)cc2Cl)C1 799995590 PCPXOSVXPCWLNI-AUUYWEPGSA-N 447.929 4.421 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 802609753 KOAJMRVQQPOGQJ-UHFFFAOYSA-N 425.529 4.144 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 802610748 OWQKPMBMRXPPRI-UHFFFAOYSA-N 434.496 4.050 10 20 IICD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 806353432 IXHLTYMQSCLNRH-NSHDSACASA-N 446.356 4.098 10 20 IICD C[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(N(C)C)cc1 807460708 KZSIQOIPVSOSIU-HOYKHHGWSA-N 433.527 4.169 10 20 IICD C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(-c2ccncc2)cc1 807766614 DTDIKLXXBDGXKS-IBGZPJMESA-N 442.563 4.183 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4cccnc4)n3Cc3cccs3)CC2)cc1 812357230 YZVZMFSTKMPYIS-UHFFFAOYSA-N 446.580 4.175 10 20 IICD COc1ccc(N2CCCN(CC(=O)Nc3nc(-c4cccs4)cs3)CC2)cc1 917210518 PUZKFVLNWPVQMA-UHFFFAOYSA-N 428.583 4.031 10 20 IICD Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917710093 ASWHNAWJBBXBIL-GJZGRUSLSA-N 441.478 4.472 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccn(C)c(=O)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 919269555 DISBUZKNQDOEBE-UHFFFAOYSA-N 433.291 4.139 10 20 IICD CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C2/SC(=S)NC2=O)cs1 920397098 GYSLIAPAEGLCPN-WUXMJOGZSA-N 429.470 4.335 10 20 IICD Cc1cc(OCC(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)no1 921158768 VQOHVKHRFMFLCK-UHFFFAOYSA-N 436.386 4.214 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CCc3ccco3)C2)cc1 1842070214 CMRGBJUDZJINDJ-UHFFFAOYSA-N 431.536 4.137 10 20 IICD Cc1c(CNC(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n(C)c2ccccc12 472243097 QMQALXWXEZMNNO-LJQANCHMSA-N 428.540 4.361 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 729180354 VTDDLFIUGNCHHQ-UHFFFAOYSA-N 435.490 4.439 10 20 IICD CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730134140 PIHOVYIHHMOQKX-UHFFFAOYSA-N 426.580 4.398 10 20 IICD C[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1 734273271 WCEAPGFXQPBHRP-OFVILXPXSA-N 436.600 4.111 10 20 IICD CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)NC(=O)OC(C)(C)C 734689520 HKDZMDRGTCTJJS-OAQYLSRUSA-N 432.609 4.368 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)cc1)C1CCCCC1 737160198 ZHJUMFQYWAJMAJ-UHFFFAOYSA-N 439.604 4.033 10 20 IICD C[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742752410 GRFPCIWNZXLYGF-JTSKRJEESA-N 443.563 4.453 10 20 IICD Cc1cccc(C)c1NCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755450 XCFNUXROEBQOCK-NRFANRHFSA-N 440.588 4.164 10 20 IICD CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cc(Br)ccc1O 743872403 UXGGVATXOIMZJL-UHFFFAOYSA-N 433.262 4.135 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C1CCCCC1)N(C)C 745491144 QPWNSFHBARVQRB-SFHVURJKSA-N 426.399 4.197 10 20 IICD COc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1Br 746740721 RBAUTGFKXPSQEK-MRXNPFEDSA-N 435.318 4.376 10 20 IICD COc1ccc(S[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 750875299 SPZBOFHYHPDEHE-AVRDEDQJSA-N 428.598 4.450 10 20 IICD CN(Cc1cc2ccccc2o1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751069358 KYXUMQCJEZYLDG-UHFFFAOYSA-N 442.518 4.273 10 20 IICD Cn1cc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21 755200042 VNDBFIGCLKTUKN-UHFFFAOYSA-N 445.485 4.283 10 20 IICD C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1cc(F)ccc1N1CCN(C)CC1 756546567 RYDRKFNBQQVEAB-LSDHHAIUSA-N 436.369 4.457 10 20 IICD C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1cc(Br)c(F)cc1O 756576645 VFXXEYNHJNHGPB-GFCCVEGCSA-N 425.298 4.097 10 20 IICD COc1cc(N2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)cc(OC)c1OC 761219455 QHXONEGNIFZRQU-UHFFFAOYSA-N 428.426 4.193 10 20 IICD COc1cc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)ccc1F 761616792 RLFJZEXYXCLWJI-UHFFFAOYSA-N 447.469 4.119 10 20 IICD O=C(CCc1nc(C2CCCC2)no1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 762184177 GECAXUDGCWFGOA-INIZCTEOSA-N 434.487 4.046 10 20 IICD COc1nc2ccccc2cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 764137187 IQBUJRVFOFGZMF-UHFFFAOYSA-N 431.458 4.389 10 20 IICD CN(CCCNC(=S)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1 767401202 TYBHJLZJHGDFJV-UHFFFAOYSA-N 448.640 4.408 10 20 IICD COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccccc1Oc1ccccc1 767421781 AUFSWNUEYBMTPR-UHFFFAOYSA-N 443.550 4.205 10 20 IICD C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1Cl 772977271 BMULHYUKTJVJBE-YWZLYKJASA-N 434.367 4.286 10 20 IICD CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 775261635 WOCGFPXIGCEOET-SJORKVTESA-N 435.524 4.150 10 20 IICD O=C1/C(=C\c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2 780143043 JPAPKYDKMYUQOI-FBCYGCLPSA-N 439.493 4.205 10 20 IICD COC(=O)Nc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1F 782897161 VFOXEEYSYUFHNQ-UHFFFAOYSA-N 443.475 4.010 10 20 IICD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 785826146 JJDNWQXIYDKWJN-LJQANCHMSA-N 435.572 4.493 10 20 IICD O=C(NCc1ccccc1O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 788765399 JGMLEIWRCOQHDB-LJQANCHMSA-N 426.314 4.333 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 789759096 XCADMCFNRPEESX-UHFFFAOYSA-N 441.434 4.235 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2Cl)cc1C 790054819 QQBSTPMYOVKZBP-UHFFFAOYSA-N 430.979 4.334 10 20 IICD CCc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1Br 790416397 WDVGIISQQJUEIN-UHFFFAOYSA-N 435.137 4.280 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)CC(=O)N(C)[C@H](C)c3ccccc3)cc2)CC1 799923219 FFNLDHBMCQMJBZ-OAQYLSRUSA-N 436.600 4.284 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3nc(O)c4ccccc4n3)n2C)c(C)n1-c1ccccc1 800731422 CYWWQIQNYLUHNK-UHFFFAOYSA-N 439.523 4.175 10 20 IICD Cc1cc(C(=O)OCC(=O)N(C)c2nccs2)c(C)n1-c1ccccc1Br 801234775 VGAXPVOUILHDDC-UHFFFAOYSA-N 448.342 4.133 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC 802610597 HSHSUYQEXVNVMC-UHFFFAOYSA-N 425.312 4.475 10 20 IICD Cc1cc(-c2nnc(N(C)Cc3ccccn3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 802755014 KKWRWROHIOOWDU-OAQYLSRUSA-N 442.567 4.421 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3COC(=O)NC(C)C)ccc21 804927634 DQRABSHDQSTAGN-HXUWFJFHSA-N 429.561 4.034 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 806650495 UOUVPGOCFDZXIB-GOSISDBHSA-N 445.357 4.042 10 20 IICD Cc1ccc([C@H](O)[C@H](C)NCc2cc(Br)cc(Br)c2O)cc1 809702471 UOGRBFVKWACYBJ-MEDUHNTESA-N 429.152 4.437 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1 815567624 FUXXFRHUJWYWGJ-AWEZNQCLSA-N 430.492 4.292 10 20 IICD COc1ccc(CNC(=O)CCc2cc(C(F)(F)F)ccc2Br)c(O)c1 816550694 YJPZDOIDCCRTMC-UHFFFAOYSA-N 432.236 4.431 10 20 IICD CCn1c(SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnc1-c1cccs1 914479235 AWKKDBFEPBATTR-UHFFFAOYSA-N 441.626 4.376 10 20 IICD CCN(CC)C(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl 915343357 IGPCITQRRNIKSN-UHFFFAOYSA-N 444.963 4.185 10 20 IICD O=C(NCc1ccc(OCC(F)(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916249563 ZAZFRESYNSINLU-IBGZPJMESA-N 438.446 4.224 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 917237723 BSFNZNNVCRUYMP-MGDKSHQASA-N 443.450 4.257 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3c3cccc(C)c3)CC2)cc1 918058585 UJLUHLZCEMJQPD-RUZDIDTESA-N 436.600 4.062 10 20 IICD Cc1cc(C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(C)n1-c1ccc(F)cc1 918833211 BDDSBWNYJBTOCI-FQEVSTJZSA-N 449.526 4.033 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 919749151 KVRFNNSGRZUGKR-UHFFFAOYSA-N 446.532 4.100 10 20 IICD Cc1cccc(C)c1OC[C@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 920319472 CIHSKRQJQBYXLY-JOCHJYFZSA-N 446.507 4.213 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920922624 HJQZZIZIGKFBMJ-FQEVSTJZSA-N 443.547 4.315 10 20 IICD CN1CCN(c2ccc(CN[C@@H]3CSc4ccc(Br)cc43)cc2F)CC1 1116826719 SODAQRVVAZCIOO-GOSISDBHSA-N 436.394 4.277 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)cc1 1341420150 NSOCRJQBTCOLRH-UHFFFAOYSA-N 435.958 4.209 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2C2CC2)cc1 1792960913 JDGUAFZOXAGUQK-JQZXIOIQSA-N 431.580 4.392 10 20 IICD O=C(COC(=O)c1ccc(F)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 11455950 NKALBZPCVOVIGI-UHFFFAOYSA-N 437.810 4.050 10 20 IICD COc1ccc2[nH]cc(C3CCN(CC(=O)N(C)Cc4ccc(N(C)C)cc4)CC3)c2c1 72031796 IVQWTPHFVBZJEN-UHFFFAOYSA-N 434.584 4.081 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 303385196 NNZAYMUPPCPPDB-IBGZPJMESA-N 443.613 4.229 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)CCCOc3cccc(Cl)c3)CC2)cc1 726716149 BUPXFRPCRYVIPY-UHFFFAOYSA-N 431.964 4.428 10 20 IICD Cc1cc(C(=O)N2CCCC[C@@H]2C2OCCO2)c(C)n1-c1ccc(Br)cc1 726944924 JCFOWFLMNYWJCZ-LJQANCHMSA-N 433.346 4.224 10 20 IICD Cc1ccc(C(=O)N[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)c2ccccc2)cc1 729825839 IRQZJVCYCKDZCL-HSZRJFAPSA-N 433.527 4.378 10 20 IICD CCN1CCN(c2ccc(CNc3cc(C(=O)NC4CC4)c4ccccc4n3)cc2F)CC1 730108933 WJMQXOBMLHNFHA-UHFFFAOYSA-N 447.558 4.020 10 20 IICD CCN1CCN(c2ccc(CNC(=O)CCc3ccc(-c4ccccc4)[nH]3)cc2F)CC1 730194784 PMZIHILWVFSHRO-UHFFFAOYSA-N 434.559 4.212 10 20 IICD Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1NC(=O)NC(C)(C)C 740815214 KXDPSXCBPSAJGV-UHFFFAOYSA-N 438.572 4.024 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)ccc21 740828032 CYCNIWKQTIOAMP-IIBYNOLFSA-N 443.588 4.280 10 20 IICD COc1ccccc1-c1noc([C@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 742390503 IVUYBIPTIRDQEU-INIZCTEOSA-N 437.500 4.495 10 20 IICD COc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 742391848 MQRIHQWNWGRWFG-DEOSSOPVSA-N 442.556 4.183 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(OC[C@@H]2CCCO2)c1 742797500 DLPKAGFGQZVLGP-AVRDEDQJSA-N 446.494 4.245 10 20 IICD COc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742799207 IOJUJRCDFSBWPQ-MRXNPFEDSA-N 442.466 4.086 10 20 IICD COCCOC[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 744417707 XRVPWQDCALLSMY-SFHVURJKSA-N 449.389 4.024 10 20 IICD COc1ccc(C2(CNC(=O)NCc3cccc(OC)c3O)CCCCC2)cc1OC 745821406 YQFMEVSLJQBDKR-UHFFFAOYSA-N 428.529 4.119 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCOCc1ccccc1 746863019 GDPGQTJRRHTCMX-JXAWBTAJSA-N 446.619 4.063 10 20 IICD Cc1cc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c(C)n1-c1ccccn1 748330912 QFEVLQCJKJFSDK-UHFFFAOYSA-N 425.492 4.066 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)s1 748836480 UUTVLQMEAUVTKG-UHFFFAOYSA-N 433.580 4.144 10 20 IICD CO[C@@H](C)c1noc(CN2CCCN(Cc3cc4oc5ccccc5c4cc3O)CC2)n1 749980641 VUPVABBUZCQXNK-INIZCTEOSA-N 436.512 4.090 10 20 IICD CC1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 751434565 GRVIVAVXCXMQNZ-KAMYIIQDSA-N 426.654 4.084 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 751931731 PQMRNGRCVJDYPJ-LJQANCHMSA-N 441.940 4.322 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncccc1OCC(F)(F)F 752311383 KYCCLZGQMIHDOE-UHFFFAOYSA-N 445.388 4.023 10 20 IICD Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 752860358 WMDXFQYANCZRAI-UHFFFAOYSA-N 443.459 4.305 10 20 IICD C/C(=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1OC(F)F 753319475 YMDGFVHTLOYUGV-QINSGFPZSA-N 434.458 4.108 10 20 IICD O=C(NCCCSc1nccs1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 754948404 DULANTDLRIXUCV-UHFFFAOYSA-N 448.957 4.221 10 20 IICD Cc1ncc2c(n1)CC[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)C2 756396530 OLEAVQPNEDVTOI-NOZJJQNGSA-N 441.167 4.224 10 20 IICD C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(Br)ccc1O 756463867 FAXPWGSYJHOKSZ-CYBMUJFWSA-N 441.391 4.082 10 20 IICD C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)c(F)cc1O 756474932 KZPZQGVIWUEQEC-YJYMSZOUSA-N 441.316 4.157 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1cccnc1Cl 764532571 DHGNITDPZDUDAU-UHFFFAOYSA-N 430.736 4.422 10 20 IICD C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N2CCOCC2)c(F)c1 765123238 JVTAJCGIZMJDED-SFHVURJKSA-N 437.515 4.036 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 765796943 ACXJGZIGCFYEMS-AOYPEHQESA-N 430.596 4.259 10 20 IICD COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1 769025080 WGMVOPXILWAUBI-QHCPKHFHSA-N 437.565 4.430 10 20 IICD Cc1nsc(N2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)n1 772699724 FQDXTIIOARIYSR-UHFFFAOYSA-N 435.557 4.290 10 20 IICD C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccc(N(C)C)cc1 773988643 WLVMQNDODDDTCR-SFHVURJKSA-N 437.565 4.069 10 20 IICD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 774169122 ONADIZJCLABACI-RBUKOAKNSA-N 435.475 4.135 10 20 IICD Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 778078754 NHEBAJGYEXXVLK-UHFFFAOYSA-N 426.479 4.376 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F 779164609 YMXWGVAPIWNGPJ-UHFFFAOYSA-N 438.478 4.338 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1OCc1ccccc1 783315138 VAJIUOIUGHIKKM-UHFFFAOYSA-N 446.551 4.102 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1Br 784031240 YHISSSUDSOIOJD-UHFFFAOYSA-N 425.710 4.185 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 788447235 WYIAXGJDJHBPSZ-ICSRJNTNSA-N 436.474 4.464 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 788938361 DRUUIVTVIQYAFT-IBGZPJMESA-N 439.453 4.098 10 20 IICD C[C@@H]1CCSCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 791907361 NZQCBAFMIDDBQQ-MLJWKTOOSA-N 426.654 4.084 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)CCc2cncnc2)c(C)n1-c1ccc(OC(F)F)cc1 796174935 JJJQQLJPXDJBPJ-INIZCTEOSA-N 443.450 4.233 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 801605858 KQVSKPMTELJVGM-UHFFFAOYSA-N 433.574 4.257 10 20 IICD CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 803686492 LPSAWGNBKDHAFY-KRWDZBQOSA-N 425.598 4.063 10 20 IICD Cn1cc(-c2nc3ccccn3c2NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 806344878 QPNVKLRJRAQYKG-UHFFFAOYSA-N 431.283 4.069 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 806867669 WGOWQGSTPLTITJ-LJQANCHMSA-N 429.520 4.006 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 807102199 DRBHFADEILHCDB-UHFFFAOYSA-N 435.490 4.133 10 20 IICD CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807245824 HJMOQMZWNPMCAN-PGRDOPGGSA-N 430.589 4.011 10 20 IICD COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 807581197 QZZZVVVMUHCYMV-OALUTQOASA-N 445.563 4.483 10 20 IICD COc1cc(Br)cc(CNC[C@@H](c2ccc(SC)cc2)N(C)C)c1O 815166214 BPIVARQWAOVSSB-KRWDZBQOSA-N 425.392 4.278 10 20 IICD O[C@H](COc1ccc(F)cc1)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 836233128 DGUYUNYACXIAKZ-CTNGQTDRSA-N 428.529 4.400 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 861821949 ZRGVZLYTINMYDC-UHFFFAOYSA-N 443.550 4.284 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 916396505 WTYSVZGGMIHDIT-UHFFFAOYSA-N 436.478 4.355 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(-n2cccn2)c1 916631437 HCBFBKYRSJDHPU-UHFFFAOYSA-N 445.445 4.049 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC1(c2ccccc2)CCC1 918199481 CKIKMOWCFJMGRV-UHFFFAOYSA-N 447.501 4.463 10 20 IICD CC(C)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918848395 XXBNHEUZYUVLAN-QZTJIDSGSA-N 442.531 4.036 10 20 IICD CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)c1cc2ccccc2o1 919911740 SDYROBAZPPQTDR-WIYYLYMNSA-N 448.567 4.427 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccn(C3CCCCC3)n1)c2[N+](=O)[O-] 1324667588 HRRDNXUGVFIBFL-UHFFFAOYSA-N 444.447 4.324 10 20 IICD CCC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)n1cccc1 1788596988 CFHFXOAGECXMIX-HXUWFJFHSA-N 448.523 4.083 10 20 IICD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C1 108016948 BEEYMKGTINLUKM-RTBURBONSA-N 441.597 4.206 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 108031306 UBHTYFDUCHNABW-UHFFFAOYSA-N 439.512 4.479 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCOc3cccc(Cl)c3)cc2F)C[C@@H](C)O1 108465994 JUNMYPSBACIFPI-IAGOWNOFSA-N 449.954 4.313 10 20 IICD CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 108898284 IBIQILNICCVUSW-UHFFFAOYSA-N 426.542 4.101 10 20 IICD Cc1ccc(C(=O)N[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc2)cc1 437009216 FWHHZKHICOKSFO-HSZRJFAPSA-N 443.547 4.348 10 20 IICD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c(C)c2ccccc2n1C 473277556 FSQZBNFUKJRZOA-IBGZPJMESA-N 444.000 4.308 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCN(Cc2ccccc2)CC1 726566117 PXJHWTVHWIUQJD-UHFFFAOYSA-N 443.538 4.285 10 20 IICD CCOC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 728021048 KPVXPXOYXMRYMK-JOCHJYFZSA-N 425.529 4.142 10 20 IICD COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2c(c1)C[C@H](C)O2 728439393 JHNPMOUHTNEDFB-MUOOZZNISA-N 427.503 4.123 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3csc(-c4ccc5c(c4)OCO5)n3)SC2=S)cn1 728611004 RJHHVHWFPVDVEQ-SOFYXZRVSA-N 442.547 4.161 10 20 IICD COC(=O)c1cn(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c2ccccc12 728839560 RQMGUWGJTHNEHS-UHFFFAOYSA-N 447.457 4.085 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 729278290 OORGNHKWTIOVQW-KZULUSFZSA-N 437.323 4.190 10 20 IICD O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCCCC2)cc1 732218042 IWZQZILAWSJTPB-UHFFFAOYSA-N 428.476 4.195 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CCc2c(O)cccc21 733976844 DDTMMIVJGYYSAR-IQFISFIMSA-N 444.603 4.239 10 20 IICD COC1CCC(N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 734357632 XRNPHJUPXSDZOH-LGMDPLHJSA-N 438.640 4.146 10 20 IICD CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 735931160 VZZDBIFQXSLVIB-NRFANRHFSA-N 433.552 4.084 10 20 IICD Cc1noc(C)c1C[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 737664430 FDRMHZLQUGYIEX-OOIIIRTPSA-N 449.623 4.082 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)cc1 741099153 PYGLNARHEREWNV-UHFFFAOYSA-N 441.531 4.205 10 20 IICD Cc1ccc([C@H](NCc2cc3c(cc2O)OCO3)c2cccc(S(C)(=O)=O)c2)c(C)c1 742379346 VXSJNGJAIJVIIE-XMMPIXPASA-N 439.533 4.020 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 743718859 MOFINMPNQJXXJN-HXUWFJFHSA-N 447.362 4.499 10 20 IICD C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2ccccc2[nH]1 745321296 JBMHKXFGCMVVGQ-CABCVRRESA-N 429.471 4.194 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)cc1 752189827 DHMDYRLEVRUAJC-UHFFFAOYSA-N 430.536 4.179 10 20 IICD Cc1cc(C(=O)Nc2cn(C)cc(Br)c2=O)c(C)n1-c1ccc(Cl)cc1 758671856 MMUGDKZTGCYVEY-UHFFFAOYSA-N 434.721 4.461 10 20 IICD CCn1cc(C(=O)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)cn1 759781879 NJOCMWSEKHQQEI-UHFFFAOYSA-N 425.510 4.327 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 761750748 ROWXKQNNXQSBAG-UHFFFAOYSA-N 430.961 4.466 10 20 IICD CN(C)c1ccc(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1F 762977420 DFVWYXMCOLKBAP-UHFFFAOYSA-N 431.870 4.264 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1cccc(OCc2cccnc2)c1 765251015 IQKUJNWNFCRNMX-UHFFFAOYSA-N 428.286 4.450 10 20 IICD C[C@H](CC(=O)NCCCSc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1 765524559 IHVOJNLIZGFZOL-OAHLLOKOSA-N 427.636 4.415 10 20 IICD CCN1CCN(c2ccc(CN[C@H](C)c3ccc(NC(=O)NC(C)C)cc3)cc2F)CC1 765851414 FWRZUXFUZNSACS-LJQANCHMSA-N 441.595 4.348 10 20 IICD C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(SCC(F)F)cc1 765978869 QQMQUGOTWCHLRK-INIZCTEOSA-N 440.581 4.129 10 20 IICD CCCCOc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(Cl)c1 769887369 TWOKZDKVHMJWJN-UHFFFAOYSA-N 436.961 4.006 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)c2)CC1 770144437 WPDKQXIQLWRXAM-UHFFFAOYSA-N 442.563 4.357 10 20 IICD Cc1cc(C(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c(C)n1CCc1cccs1 772774395 IUBMJCRGGMCLBG-SOFGYWHQSA-N 425.506 4.260 10 20 IICD COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 773341899 AFLFGMKJCIHDON-QVKFZJNVSA-N 438.549 4.330 10 20 IICD COc1cc(OC)cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 776743539 JPELEWZMJLWXIT-UHFFFAOYSA-N 442.518 4.487 10 20 IICD C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2N1C(=O)/C=C\c1cncc(F)c1 776978633 VPHXTCYXRZTALC-KORRUZNVSA-N 446.457 4.250 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cc1 782194715 QGEHNYOXXQYFRD-QGOAFFKASA-N 445.587 4.232 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 783117883 PSIGVYSCVVMORL-UHFFFAOYSA-N 445.445 4.049 10 20 IICD CCNC(=O)COc1cccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 783209341 KPQFOBBKZRAZAB-UHFFFAOYSA-N 445.479 4.194 10 20 IICD Cc1ccc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1[N+](=O)[O-] 790638874 IJGDVCCIXJZVOV-UHFFFAOYSA-N 448.482 4.353 10 20 IICD COCCN(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3OC)C2=O)cn1 792569021 RBHCCBYVIKEKJA-LICLKQGHSA-N 449.985 4.232 10 20 IICD Cc1cc(C(=O)NCc2cnc3n2CCCC3)c(C)n1-c1ccc(Br)cc1 793499566 BVJOWCYXJIIZFB-UHFFFAOYSA-N 427.346 4.319 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccccc2Cl)CC2CC2)c1 795677265 YEVATQOZSMZZMY-UHFFFAOYSA-N 442.987 4.493 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)s3)n2)c(F)c1 798155694 UTBJAFPRIJSSNT-UHFFFAOYSA-N 431.923 4.423 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1)c1cccs1 799191566 NITOEYBMZPZMAR-JTQLQIEISA-N 427.454 4.207 10 20 IICD CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801990087 VAWVYLUPYIIBPL-UHFFFAOYSA-N 444.539 4.093 10 20 IICD CSc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 809223910 YJFKGJXQRGOXGG-QBFSEMIESA-N 435.621 4.485 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@@H](O)c3ccccc3)CC2)cc1 813622111 FKYQUPMEFHBUQB-FTJBHMTQSA-N 445.563 4.438 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccccc1N1CCCC1)c2[N+](=O)[O-] 822197045 IRVUJAMABOYXFC-UHFFFAOYSA-N 441.443 4.223 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cc2C[C@@H]1C 832310550 UDGKAUUOAVDWAW-LBPRGKRZSA-N 431.514 4.048 10 20 IICD CCOc1c(Br)cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 915081757 HDLRKSFCVRQAFU-UHFFFAOYSA-N 433.346 4.387 10 20 IICD CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456852 VYPOXPQEUSLVIJ-UHFFFAOYSA-N 440.437 4.155 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H]3CCCc4ccccc43)cc2F)C[C@@H](C)O1 916986556 JGLQECWDAMEROC-IECBHUPTSA-N 439.575 4.065 10 20 IICD O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(F)cc1Br 917850252 WSUNGFKFABPPIM-UHFFFAOYSA-N 441.303 4.405 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC(c1ccccc1)c1ccccc1 918154498 AADYLOZYUUHRRH-UHFFFAOYSA-N 433.527 4.376 10 20 IICD CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918223745 KAGOSQUVWQJREW-UHFFFAOYSA-N 426.319 4.311 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 919822672 XBUKEMAGCSFGOC-UHFFFAOYSA-N 440.503 4.120 10 20 IICD C[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)sc2C1 1317930943 YMDQXPGGWOQZQK-LLVKDONJSA-N 447.472 4.204 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 1319868818 AMZCSPJBGODGLL-UHFFFAOYSA-N 439.556 4.324 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3sc(N(C)C)nc3s2)cc1 110147006 IHYJAASJCJTHRW-QGZVFWFLSA-N 444.626 4.311 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNC1CCN(Cc2ccccc2)CC1 237828364 ULIOBDFDNVPQDW-UHFFFAOYSA-N 433.518 4.296 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nc2ccccc2n1-c1ccccc1 437024250 JPQYYGAUQYNEDM-UHFFFAOYSA-N 426.520 4.450 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)n(C)c2ccccc12 472805492 ORCRQURVOBUHGS-UHFFFAOYSA-N 446.551 4.260 10 20 IICD CCCc1c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cnn1-c1ccc(C)cc1 472806597 GUFBZYNVQFYMSR-UHFFFAOYSA-N 443.551 4.188 10 20 IICD CCCC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)Nc1cccc(N2CCCC2)c1 725852333 XNDIEWTWAQSPBR-HXUWFJFHSA-N 425.529 4.008 10 20 IICD O=C(NCCc1c[nH]c2cc(F)ccc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726710117 WUDRNMDYFKSHIE-UHFFFAOYSA-N 446.473 4.419 10 20 IICD CCc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCC3)cc1 730750493 KHAVOQWLTBZICU-LJQANCHMSA-N 444.579 4.251 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 731080238 ZTSOMUIQFIICKS-UHFFFAOYSA-N 431.358 4.444 10 20 IICD COCCOC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731106905 BPHRNQAWUWANCP-UHFFFAOYSA-N 440.544 4.440 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(C[S@](C)=O)c2)cc1 732114796 LRJKQOUSZPODKD-HKBQPEDESA-N 436.577 4.487 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1cc(Cl)ccc1O 733332232 STVXAMUEZZUEKP-UHFFFAOYSA-N 427.932 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCc3cccc(F)c3)C3CC3)cc2F)C[C@@H](C)O1 733848151 LWIKIBIELOWCOL-HDICACEKSA-N 443.538 4.495 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1 734695708 ZTLFMIRCLZLJHV-IRXDYDNUSA-N 434.492 4.357 10 20 IICD COc1cc(OC)cc([C@@H](O)CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 735680819 IQYMGJSEVUTXMR-DEOSSOPVSA-N 441.572 4.006 10 20 IICD CCN(CC)CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 735745419 ICMUAOBHGKHEBH-FQEVSTJZSA-N 440.588 4.127 10 20 IICD CC1CCN(c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)c2)CC1 739601883 COBUSBKSNIDTOV-UHFFFAOYSA-N 433.549 4.001 10 20 IICD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 743338312 DXQXWRGBXMRPKF-QFIPXVFZSA-N 438.568 4.332 10 20 IICD CC(C)CO[C@@H](C)c1noc(CN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)n1 744441108 XXRPPSKWFGERTP-INIZCTEOSA-N 439.512 4.077 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 745365444 RADNDVAFRHBMRW-UHFFFAOYSA-N 436.600 4.499 10 20 IICD CCN(CC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1)C(=O)OC(C)(C)C 745829242 XGZMVTZJYMKGON-UHFFFAOYSA-N 432.609 4.240 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 745850817 XUDXEUYQUQMBAW-UHFFFAOYSA-N 431.842 4.460 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)cc1 755427775 UDGHNOQUHGMXHL-UHFFFAOYSA-N 425.894 4.362 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 756525162 ALHJACJPIAVBGG-QGZVFWFLSA-N 438.540 4.017 10 20 IICD C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 759589258 QNYPZMSUPDMJPU-MLBQELRYSA-N 439.464 4.113 10 20 IICD CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 760886432 DBMYCYHLUDJRGF-UHFFFAOYSA-N 432.362 4.236 10 20 IICD CC(C)(C)OC(=O)c1cccc(CNC(=O)NCc2cccc(Br)c2O)c1 764807789 VNXLMXCNCQCNFW-UHFFFAOYSA-N 435.318 4.109 10 20 IICD C[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(N2CCOCC2)c(F)c1 765529133 UDTBYXLYFGBGGE-GOSISDBHSA-N 434.515 4.160 10 20 IICD C[C@@H](CCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 765977299 DMWJXWBPORRQRQ-KRWDZBQOSA-N 440.531 4.051 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 766317776 CXSRRGOLMGCIFA-VXKWHMMOSA-N 431.964 4.039 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1 766997807 CHXRBOYWMMVUDD-INIZCTEOSA-N 431.374 4.078 10 20 IICD O=C(NCCCSc1nccs1)NCc1cc2cc(Br)ccc2[nH]1 768394272 ONECKKNGMYFXOZ-UHFFFAOYSA-N 425.377 4.369 10 20 IICD COc1cc(Br)c(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC 773270238 SLOCHUWXBUDDQO-ZDUSSCGKSA-N 436.350 4.093 10 20 IICD CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 773429328 MCCCMYGFNMIYCJ-QVKFZJNVSA-N 437.353 4.291 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1)c1ccc(N)cc1 773656638 VCHZEOMANQISHY-CQSZACIVSA-N 428.414 4.416 10 20 IICD Brc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)cc1 779023680 VSACOLJRCHGJMG-VXKWHMMOSA-N 431.374 4.296 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Oc4ccccc4)ccc3O)c2)CC1 781273421 UCAGNTALUZNNGC-UHFFFAOYSA-N 431.492 4.105 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)cc1 782429261 XHSBBTYNVRITMQ-UHFFFAOYSA-N 447.869 4.445 10 20 IICD CN(C)c1ccc([C@H](CN[C@H](c2ccccc2)c2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 783280332 VBTWGJMPHUMING-FCHUYYIVSA-N 435.572 4.421 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)cc1 785981973 YWDUOBNWTOQVAL-XMMPIXPASA-N 425.529 4.027 10 20 IICD C[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc(C(F)(F)F)c1O 788820475 VMLREEHRLVXWLG-XMHCIUCPSA-N 447.457 4.487 10 20 IICD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 789836618 QHAQQDAEBFKMDI-QGZVFWFLSA-N 425.529 4.031 10 20 IICD CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(C)cc1O 794801985 LKWJKYSKLLABRP-QFIPXVFZSA-N 435.547 4.197 10 20 IICD Fc1cc(CNc2nccn2Cc2ccc(Br)cc2)ccc1N1CCOCC1 795806448 VGCFMEAOYPVPNE-UHFFFAOYSA-N 445.336 4.282 10 20 IICD CCN(CC)CC(=O)Nc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 806183723 VZWOFMHSIXCMTM-GOSISDBHSA-N 428.552 4.116 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(F)F)cc3)n2)s1 808527262 CULXOUUBNGMNAF-UHFFFAOYSA-N 443.522 4.246 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(O)c1 810409295 LACMBSWGNCZKPW-UHFFFAOYSA-N 426.856 4.101 10 20 IICD Cc1cc(-c2nnc(N3CCC[C@@H]3c3nncn3C)n2CC(C)C)c(C)n1-c1ccccc1 812217459 OVXJLDKCAXWBDR-JOCHJYFZSA-N 444.587 4.479 10 20 IICD COc1cccc([C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N2CCCC2)c1 918060140 FCYVIXGQVZFCSD-RUZDIDTESA-N 436.600 4.272 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccc1 918250834 VLPTZCMUHRNVRF-UHFFFAOYSA-N 429.442 4.410 10 20 IICD O=C(Nc1ccc2oc3ccccc3c2c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294032 BNSKVBKJAPIKLQ-LJQANCHMSA-N 444.487 4.438 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)Sc3ncccn3)c2C)cc1F 919629736 DWAWVWKFDJAKHG-MRXNPFEDSA-N 427.501 4.238 10 20 IICD CCS(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919652879 SSGPYHNFETZPNJ-UHFFFAOYSA-N 441.553 4.374 10 20 IICD Cc1cc(=O)n2nc(COC(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)sc2n1 29040288 YUKHGZQXXPSGGS-UHFFFAOYSA-N 436.537 4.347 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3ccc(-c4ccccc4)nc3C)CC2)cc1 32764598 VBAKTEACRHJSHK-UHFFFAOYSA-N 444.579 4.008 10 20 IICD CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S 96965511 HZAKNTWEUHJJMS-UHFFFAOYSA-N 437.613 4.336 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)c2C)c1 195582703 LOKQKUYXWMQWDJ-UHFFFAOYSA-N 431.536 4.056 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3N3CCOCC3)cc2)CC1 303289415 AMSQPZVVDZNNAN-UHFFFAOYSA-N 436.600 4.101 10 20 IICD COc1cc(C2(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCCC2)ccc1C 303314763 RYJWPWJSGJCKKH-UHFFFAOYSA-N 426.532 4.108 10 20 IICD CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 303654219 XOGVMKDNAOJWST-UHFFFAOYSA-N 434.584 4.456 10 20 IICD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1c(C)c2ccccc2n1C 472016952 INJQZQMDIMEEEQ-UHFFFAOYSA-N 442.947 4.285 10 20 IICD COC(=O)c1cccc(NC2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)c1 472231985 VPRGKWVEJIOQET-UHFFFAOYSA-N 434.540 4.059 10 20 IICD O=[N+]([O-])c1cc(CNc2cc(-c3cccs3)nn2CCO)ccc1N1CCCCC1 727470549 ALJBSTXXAKJEQS-UHFFFAOYSA-N 427.530 4.115 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 728979826 NXWKZEXSQRBSDS-MRXNPFEDSA-N 440.521 4.001 10 20 IICD CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1ccc(Br)cc1 729534716 CHQBLIYMUFSWOU-ZDUSSCGKSA-N 444.329 4.402 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 731280031 DSQSCLMHPXIFNI-UHFFFAOYSA-N 426.435 4.464 10 20 IICD COc1ccc(-c2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=O)c3ccccc23)cc1 734476149 WQMRCTZFOIHAAG-UHFFFAOYSA-N 428.536 4.228 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(-c4nccn4C)c3)cc2F)C[C@@H](C)O1 736974378 XAIHYOKZCKGNBU-CALCHBBNSA-N 437.519 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)CC1 737192150 WRCFYFKFQAKBGU-UHFFFAOYSA-N 444.535 4.365 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c1O 737285568 IMZHIXZLGDEDSZ-UHFFFAOYSA-N 442.924 4.460 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cnn(-c4ccccc4Cl)c3)CC2)cc1 741400929 QTKNIKOBRYQODO-UHFFFAOYSA-N 425.920 4.279 10 20 IICD CN(c1ccc(CNC(=O)c2cc(N3CCOC3=O)ccc2F)cc1)C1CCCCC1 741678337 OXJCGWHYCJJAOD-UHFFFAOYSA-N 425.504 4.481 10 20 IICD COc1ccc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)cc1Br 746718491 JUDBHIWQNDMLOL-AWEZNQCLSA-N 432.362 4.401 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 751935764 CXAJHQYDJAIGIX-UHFFFAOYSA-N 436.320 4.418 10 20 IICD Cc1cc(C(=O)N2CCOCC3(CCOCC3)C2)c(C)n1-c1ccccc1Br 753377534 IGNRTJQTWDYVTA-UHFFFAOYSA-N 447.373 4.126 10 20 IICD C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)cc(Cl)c1O 756441533 LRJTUIHKWKVHNA-ZDUSSCGKSA-N 446.794 4.464 10 20 IICD Cc1cc(C(=O)CSc2nnc(CO)n2-c2ccccc2)c(C)n1-c1cccc(F)c1 758009641 DRWDLOMPWCOSPI-UHFFFAOYSA-N 436.512 4.281 10 20 IICD CCOc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccc(O)c(O)c2)cc1OCC 762274853 KQXUKYWAGZUSCR-UHFFFAOYSA-N 449.503 4.099 10 20 IICD C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1 764788830 BZRAZHRUXMDEBD-QAPCUYQASA-N 432.362 4.007 10 20 IICD C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 765011715 KDUIXGPMBBNVTJ-WZONZLPQSA-N 427.976 4.191 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1nc(C2CC2)cs1 766208975 CZHCVNZLCNKTQW-DHDCSXOGSA-N 449.648 4.380 10 20 IICD C[C@H](c1ccccc1F)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769673369 YRKHEFZDIRYMTQ-CYBMUJFWSA-N 434.514 4.227 10 20 IICD CCCS(=O)(=O)Nc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 770585164 IMTODRFYENPXRY-UHFFFAOYSA-N 432.546 4.349 10 20 IICD Cc1conc1NC(=O)C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 772473421 FPSLXLJHEZRQDM-QGZVFWFLSA-N 446.429 4.233 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 773762525 KURZIIXOOVMASX-WTOJCKNJSA-N 437.334 4.300 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O 774834807 GEDBMCYJFOFXMQ-UHFFFAOYSA-N 439.434 4.036 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1Cl 775100293 CJJDVSKSGVKBPF-UHFFFAOYSA-N 428.838 4.240 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc2)CC1 776134137 NDWLHTBGUMNSFJ-UHFFFAOYSA-N 439.575 4.341 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@H]1CCO[C@@]2(CCSC2)C1 776250619 JKQNDIQVJOSNDC-WFASDCNBSA-N 437.197 4.062 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1 777238864 QZSMVSTVWBBQMH-UHFFFAOYSA-N 447.583 4.241 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cc(Br)ccc1OCc1ccccc1 778919366 BDGADSBCFSEJFX-UHFFFAOYSA-N 428.282 4.369 10 20 IICD O=[N+]([O-])c1cc(CN2CCC(Oc3cncc(Cl)n3)CC2)ccc1N1CCCCC1 779189970 RQRROELYLQTQLJ-UHFFFAOYSA-N 431.924 4.072 10 20 IICD COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 785544551 YEEAKLCYHSHSOP-UHFFFAOYSA-N 438.552 4.084 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1C 791250523 REXLYSUJDOYRRE-UHFFFAOYSA-N 448.567 4.242 10 20 IICD COc1cc(N2CCN(Cc3nc(-c4ccc(C)cc4)cs3)CC2)cc(OC)c1OC 796005936 ROSSGGOKRMESAE-UHFFFAOYSA-N 439.581 4.467 10 20 IICD C[C@H]1CN(c2ccc(CNCc3ccc4c(c3)CCN4Cc3ccccc3)cn2)CCO1 796262833 BCJIMZJINSYXCP-NRFANRHFSA-N 428.580 4.159 10 20 IICD C[C@@H](C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 798989387 NGWYVBUITXORFQ-MSOLQXFVSA-N 441.524 4.484 10 20 IICD CNC(=O)c1ccc(CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 799993671 IZKURHNKFPWTBG-QGZVFWFLSA-N 442.991 4.278 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2Cl)C1 800515371 TZPUVEOUVWPDPY-CQSZACIVSA-N 428.920 4.229 10 20 IICD Cc1cc(C(=O)N[C@@H](c2nncn2C)C(C)C)c(C)n1-c1cccc(Br)c1 804261793 VSQZWIDQWHFTSE-GOSISDBHSA-N 430.350 4.112 10 20 IICD Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)cc1C 812436099 BXAGUKFIZQJQLM-NRFANRHFSA-N 449.555 4.058 10 20 IICD CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 812477454 OREHLQLRAVSKBA-JOCHJYFZSA-N 434.939 4.160 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)[C@@H]3OCCc4sccc43)cc2F)C[C@@H](C)O1 814106017 NMFYSUOAIFVLFY-IGMOGCDKSA-N 432.561 4.067 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 814284955 VXLKYJADUPIUGR-UHFFFAOYSA-N 432.612 4.485 10 20 IICD CS(=O)(=O)c1ccc(OCCN[C@@H](CCc2ccccc2)c2ccccc2O)cc1 815577449 QPBIAGCJPZUVND-QHCPKHFHSA-N 425.550 4.138 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Br)s1 916458106 VIBHKPJIOWBNHH-UHFFFAOYSA-N 449.292 4.296 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CCCc4ccccc43)cc2F)C[C@@H](C)O1 916986558 JGLQECWDAMEROC-YDIMBITNSA-N 439.575 4.065 10 20 IICD COc1ccccc1OCc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)o1 917385967 FLTUFEDNQPNQON-UHFFFAOYSA-N 438.549 4.350 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(c2ccccc2)CCCC1 918202343 ZHLZGKXNXCWENF-UHFFFAOYSA-N 425.548 4.098 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918223335 ZSHUTQVIMIIDPO-IEGUWTFLSA-N 441.547 4.495 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Br)cc1F 918311386 RBMQUOYUEQKGMO-UHFFFAOYSA-N 448.336 4.176 10 20 IICD Cc1cc(C(=O)NC2CCC3(CC2)OCCO3)c(C)n1-c1ccc(Br)cc1 918602481 KARXVBHIXXSQHO-UHFFFAOYSA-N 433.346 4.272 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 919713561 YFDBHUAHONVZCH-GOSISDBHSA-N 432.351 4.263 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 920867132 NZZRKHSSSGQQMX-SFTDATJTSA-N 436.600 4.191 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CCCOc3ccc(F)cc3F)cc2F)C[C@@H](C)O1 921281547 UGYGPEORJHAZAC-HZPDHXFCSA-N 436.474 4.193 10 20 IICD COc1ccc(Cl)cc1CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1116046292 DSKOWXGCRJCMCG-HZPDHXFCSA-N 449.954 4.143 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)ccc1NC(=O)N(C)C 1333721292 GKBXFSLRDACYSG-UHFFFAOYSA-N 434.334 4.219 10 20 IICD CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301530 YNOZOSHQHCEKQE-RPYULREYSA-N 436.508 4.307 10 20 IICD CC(C)=CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712756 WVAAEEFCAMUIBQ-ZDUSSCGKSA-N 449.960 4.180 10 20 IICD CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831389214 LMGOITYSTKPZPU-GOSISDBHSA-N 436.980 4.421 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15040175 YVJYNGNVFZERIC-PTNGSMBKSA-N 433.536 4.276 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3ccc(S(C)(=O)=O)cc3)c2C)cc1 69345610 DOUIHEXAFCNRQF-UHFFFAOYSA-N 427.522 4.158 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C 486762860 OQLIYTPQVVMCTN-UHFFFAOYSA-N 448.317 4.041 10 20 IICD CCc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 725875685 HSWBWJQXNVFUGM-HYFFOGBASA-N 441.547 4.325 10 20 IICD Cc1csc(-c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)n1 726290811 YCDLIEBMMNWWOS-UHFFFAOYSA-N 434.565 4.314 10 20 IICD CC(C)(C)Sc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 726853894 XKYXGGANYAUTDR-LJQANCHMSA-N 442.581 4.429 10 20 IICD CCn1c(/C(Cl)=C\c2cccnc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 728699560 TZWWRIFSIFUMIS-GXDHUFHOSA-N 425.341 4.092 10 20 IICD Cc1nc(CN2CCC(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)cs1 731638455 ISPRASWICUTGJY-UHFFFAOYSA-N 426.630 4.216 10 20 IICD O=C(Nc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1)c1ccc(F)cc1 732525759 GRHIIPMOWIFROU-UHFFFAOYSA-N 439.512 4.479 10 20 IICD Cc1ccc([C@@H]2CSCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 734941557 FRFKEIPZRHULEJ-XXBNENTESA-N 425.598 4.392 10 20 IICD COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OC(F)F 735332238 YFYLTWWGRBGARI-VIZOYTHASA-N 437.445 4.431 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2c(nc1O)CCCCC2 737553525 DXBNNIYFEWLZOY-UHFFFAOYSA-N 431.483 4.056 10 20 IICD C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1F 742755459 XHVMULYDSMPJRE-KKSFZXQISA-N 429.536 4.377 10 20 IICD O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 747544759 YPEMZFWCBOBWJS-CTNGQTDRSA-N 443.613 4.057 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 749183031 JEDDYSHQHDCUTN-UHFFFAOYSA-N 431.540 4.180 10 20 IICD C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 751083385 MUZIXHDNSWHTRC-OFNKIYASSA-N 438.641 4.092 10 20 IICD Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\C3=S=C(c4ccncc4)N=C3)s2)cc1 753144360 ZQVQZFIXRXFMBE-MHWRWJLKSA-N 439.953 4.242 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cc(F)cc(Cl)c4)n3)ccc2N1 755427391 NRZDTZFNVBDUMN-UHFFFAOYSA-N 437.905 4.288 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)cc1 755839041 WMSGOSMQQWNCNK-UHFFFAOYSA-N 433.512 4.413 10 20 IICD COC1CCN(C2(CN[C@H](C)c3cc(Br)cc(F)c3O)CCCC2)CC1 756554957 OUZGWMMCSUOMEQ-CQSZACIVSA-N 429.374 4.368 10 20 IICD CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 756968237 BZSFXVKHCBPVMA-FQEVSTJZSA-N 425.573 4.351 10 20 IICD CCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(OCCC)c1 759317136 MSLCVLOPQIQHIC-UHFFFAOYSA-N 439.556 4.185 10 20 IICD CC(C)Oc1ccc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 759916652 XMGGHCXNIMKGKD-LJQANCHMSA-N 435.446 4.216 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](C)c3cccc4ccccc34)CC2)cc(OC)c1OC 760104002 LJOVXSCFXQVASG-GOSISDBHSA-N 449.551 4.458 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c(C)n1-c1cccc(Br)c1 766850708 YCGXVCAVBBWJBW-GOSISDBHSA-N 431.330 4.184 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)c2)CC1 767381622 GENIWHUNCVDBQR-UHFFFAOYSA-N 440.975 4.250 10 20 IICD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 768016672 QSVIDJDMVNRKEA-UHFFFAOYSA-N 445.567 4.159 10 20 IICD O=C(CC1(CSc2ccccc2)CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 771405051 ZUFGSVISFYZDTA-UHFFFAOYSA-N 428.573 4.366 10 20 IICD COC(=O)c1cn(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)n1 771586913 YGASDDXDQAREFN-UHFFFAOYSA-N 430.302 4.031 10 20 IICD COc1ccc(-c2ccncc2)cc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O 773899472 OIGBKGLMQVDIBH-XSFVSMFZSA-N 425.579 4.053 10 20 IICD O=S1(=O)CCN(c2ccc(CNC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)CC1 779061745 QKOAPLLJAIWATR-UHFFFAOYSA-N 442.531 4.079 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 782704234 LICQEXXHTVRZFO-UHFFFAOYSA-N 438.572 4.196 10 20 IICD Cc1cc(Br)cc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1O 787438622 RIZBBWKNEDXWSU-SFHVURJKSA-N 439.300 4.022 10 20 IICD CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 787880589 QUKOTGGJSLYEGE-LJQANCHMSA-N 425.573 4.154 10 20 IICD COC(=O)Cc1sc(NS(=O)(=O)c2cc(Cl)ccc2F)nc1-c1ccccc1 789726552 JPTAWMYFQLCLIN-UHFFFAOYSA-N 440.905 4.119 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 789835978 KZDCKOGPDYWARF-GFCCVEGCSA-N 429.860 4.349 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)c2)CC1 807180825 KBYDWVNDRPEPHR-UHFFFAOYSA-N 441.482 4.457 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(CCn3ccnc3)C3CCSCC3)c2C)cc1 808086913 KWORHIPIBRJSAB-UHFFFAOYSA-N 438.597 4.337 10 20 IICD C[C@H](Cc1ccc(F)cc1Br)NCc1ccc(N2CCC(O)CC2)c(F)c1 808382930 PJOKFZCMMLNOSG-CQSZACIVSA-N 439.344 4.409 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 819760878 JKLJQHRPDUSDAY-UHFFFAOYSA-N 445.585 4.032 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c(C)n1-c1ccc(F)cc1 913153478 VQZAQKILGCMFLF-UHFFFAOYSA-N 437.490 4.361 10 20 IICD O=C(COc1ccc(Oc2ccccn2)cc1)NCc1ccc(N2CCSCC2)cc1 917386286 KSYNNPGJNAPAHI-UHFFFAOYSA-N 435.549 4.122 10 20 IICD CCc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1 917714755 OPOLJXPRLGDNLN-QZTJIDSGSA-N 436.531 4.117 10 20 IICD COCCc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 917925795 MWNHHYNBFVZOGS-UHFFFAOYSA-N 433.511 4.016 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(N2CCCCCC2)cc1 918224260 PXMPVCJSUCTVMV-UHFFFAOYSA-N 426.536 4.364 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(Cl)cc1 919521772 VKFGJKIXJCAEQX-HNNXBMFYSA-N 439.899 4.030 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 195550020 ZVGWZBDEETYNCM-UHFFFAOYSA-N 443.979 4.142 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCC3CCN(CC(F)(F)F)CC3)ccc21 482355426 IEHVIWXFKQHBGM-UHFFFAOYSA-N 439.522 4.299 10 20 IICD CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 545053950 QMZXLXXPSZTAOF-IBGZPJMESA-N 446.532 4.224 10 20 IICD CCn1cc(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)c(OC)c3)SC2=S)cn1 726197241 OPIBJEUXWYLCDZ-VIZOYTHASA-N 443.472 4.259 10 20 IICD C[C@H]1CCCC[C@H]1OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726612459 ZZUDYGZWSSRJLO-OXJNMPFZSA-N 425.520 4.151 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2F)C[C@@H](C)O1 726706353 IKTBSKDKVKJSFZ-GRJZNYKUSA-N 441.547 4.159 10 20 IICD COc1cccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c1O 727762616 RHHPTFJRKSVVOV-UHFFFAOYSA-N 434.323 4.369 10 20 IICD Cc1cc(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)c(C)n1-c1ccccn1 728279762 FKLSQBAPKYLJTK-UHFFFAOYSA-N 435.547 4.411 10 20 IICD CC(C)(C)OC(=O)N1CC[C@H](CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 730109521 SLRURUJIHSXHRP-SFHVURJKSA-N 432.565 4.322 10 20 IICD CCN1CCN(c2ccc(CNC(=O)C3(c4ccc(OC)cc4)CCCC3)cc2F)CC1 730234838 DXEGUMOAOJXJEM-UHFFFAOYSA-N 439.575 4.104 10 20 IICD O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 731859755 YOTPJOPXHPYJRE-GOSISDBHSA-N 442.462 4.466 10 20 IICD COc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 735517945 OWJXAXUVTMBQQF-LJQANCHMSA-N 437.492 4.394 10 20 IICD CCc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 739922985 ASLYWSYURYFWMX-QHCPKHFHSA-N 443.563 4.051 10 20 IICD C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755001 UBLLTZSHZCYDEP-IIBYNOLFSA-N 445.535 4.041 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Br)cc1 742799042 SPCKTFWLSWYMHS-HNNXBMFYSA-N 425.273 4.449 10 20 IICD CN(c1ccc(CNC(=O)CNC(=O)c2ccccc2OC(F)F)cc1)C1CCCCC1 742822593 MCZARTAOCAQVKZ-UHFFFAOYSA-N 445.510 4.103 10 20 IICD CN1CC(=O)N(c2cccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)c2)C1=O 743108727 PUDFSRKRYOUNMI-UHFFFAOYSA-N 436.512 4.157 10 20 IICD O=C(c1cccc(CN2C(=O)CSC2=O)c1)N(Cc1ccco1)Cc1ccccc1O 743428309 SIWOPFMUYAIDRU-UHFFFAOYSA-N 436.489 4.023 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cc2F)C[C@@H](C)O1 743554332 BDCKOLRIARPOTP-IAGOWNOFSA-N 441.547 4.023 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CC(C)(C)NC(=O)OC(C)(C)C 743809576 XWIOVOZTLLQHOD-UHFFFAOYSA-N 429.355 4.197 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 743889677 RPMNBIAERWTEBD-UHFFFAOYSA-N 433.474 4.379 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccccc2)C1 745903646 IKEISTXOUOOIKG-GHTZIAJQSA-N 431.483 4.040 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccc(C(=O)NC)nc2)sc(C)c1-c1ccc(F)cc1 747295771 YAZXRXQZWUMHGP-UHFFFAOYSA-N 441.484 4.046 10 20 IICD CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1ccc(N2CCC(C)CC2)cc1 749097565 LVKIRQKIVDHPLH-UHFFFAOYSA-N 437.009 4.085 10 20 IICD C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1c(Cl)cccc1Cl 751096690 GOEXDBOYOPHEIN-HOCLYGCPSA-N 434.367 4.115 10 20 IICD O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 751291647 NQHZLXQZQVYEBB-FQEVSTJZSA-N 433.508 4.458 10 20 IICD CC(C)c1cnc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 755386400 QWYSMNONMMTTLG-UHFFFAOYSA-N 428.480 4.444 10 20 IICD O=C(O)C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)cc(Cl)c1 756379151 KSCIZHQJLWDQNC-GOSISDBHSA-N 427.303 4.275 10 20 IICD CC[C@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(C)noc1C 756869206 TVOYCNIWHIIQCI-QKKBWIMNSA-N 431.492 4.135 10 20 IICD COc1cc(N2CCN(C(=S)Nc3ccc4ccccc4c3)CC2)cc(OC)c1OC 758919493 RHCZAHKOWTVVPE-UHFFFAOYSA-N 437.565 4.385 10 20 IICD C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 759579394 MMIDCVVEMXFJRN-WXGCRTCVSA-N 429.778 4.354 10 20 IICD O=C(NCCc1cc(Br)ccc1F)NCc1cccc(Br)c1O 764766869 JSSRJRBRQQFMBM-UHFFFAOYSA-N 446.114 4.098 10 20 IICD C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1Cl 764911729 BULXHCMMQATOJI-SFHVURJKSA-N 427.976 4.150 10 20 IICD O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1ccc(O)c(O)c1 768411121 HOPWBRWVIDXCSI-UHFFFAOYSA-N 433.489 4.233 10 20 IICD Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccccc1Br 769343908 LVOKHWCGGHAJDT-RTBURBONSA-N 435.387 4.203 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc4ccc(Br)cc4n3)SC2=S)CC1 771513435 LCQLUDGWUKDBKC-GZTJUZNOSA-N 448.411 4.293 10 20 IICD COc1cc(NCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc(OC)c1 774487301 YKMPGTWCQKHNRX-UHFFFAOYSA-N 447.495 4.286 10 20 IICD O=C(NCC(F)(F)F)c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 775181336 SHJDVJFJCVOZBI-UHFFFAOYSA-N 436.434 4.489 10 20 IICD CC[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cc(Br)ccc1O 775493459 SQDFLSPIUHPPTP-NRFANRHFSA-N 432.406 4.143 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)CC2)cc1 778728374 HMCYISBFANQOIX-QGZVFWFLSA-N 446.954 4.035 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)CC3 779337125 XEPMKNPXHDPJTQ-OAQYLSRUSA-N 446.595 4.042 10 20 IICD COc1cccc(N2C(=O)/C(=C/c3cnn(Cc4ccc(F)cc4)c3)SC2=S)c1 780143170 MIZZVEXBARRERA-OCKHKDLRSA-N 425.510 4.485 10 20 IICD Cc1cc2cc[nH]c2cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 782424912 HRCSPCUBALDYFV-UHFFFAOYSA-N 430.508 4.303 10 20 IICD CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896594 RDRIWRPMBHSCHV-UHFFFAOYSA-N 429.948 4.412 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc(Br)c(F)cc3O)c2)CC1 783294417 QBHDCVOAOAFIAG-ZDUSSCGKSA-N 436.325 4.135 10 20 IICD COc1cccc(CC2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 784246867 OCVNJDAMQVXINI-HXUWFJFHSA-N 437.584 4.257 10 20 IICD O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)Nc1ccc(N=Nc2ccccc2)cc1 786586128 VCZCBKBXHMDDBF-KRWDZBQOSA-N 448.401 4.137 10 20 IICD C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788909286 GRKCTJLXWFOQAU-HNNXBMFYSA-N 434.367 4.429 10 20 IICD CC(C)Oc1cc(F)ccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 790519924 QHRGUSZFFAYVEC-IRXDYDNUSA-N 448.510 4.061 10 20 IICD CN(Cc1ccccc1Br)C(=O)CCNCc1c(O)ccc(Cl)c1F 790961514 WKRPPEIVOVTSLX-UHFFFAOYSA-N 429.717 4.086 10 20 IICD CN(C)c1ccc([C@H](CNCc2nccn2-c2ccccc2)NC(=O)OC(C)(C)C)cc1 790982238 SPOYSPHGKRUQPF-QFIPXVFZSA-N 435.572 4.294 10 20 IICD COC(=O)c1csc(-c2cccc(CNCc3cc(Cl)cc([N+](=O)[O-])c3O)c2)n1 790994600 DTMYAZNMPXCQAA-UHFFFAOYSA-N 433.873 4.154 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)s1 792937310 UKJSHBYVKMTRQY-UHFFFAOYSA-N 449.564 4.153 10 20 IICD COc1ccc(CNC(=O)CCc2ncc(-c3ccccc3Br)o2)c(O)c1 794380741 BELDRCIVWQTSBC-UHFFFAOYSA-N 431.286 4.067 10 20 IICD CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 795549670 RGHWLUAAEPQNIO-UHFFFAOYSA-N 432.523 4.105 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1O 795693800 JCRHFCFJGSBENT-NHTMILBNSA-N 429.516 4.333 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)cc2)CC1 797452320 FDEDBZXNIHUSCO-JOCHJYFZSA-N 434.584 4.117 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 801622955 UYPQCMHWGFOBBM-UHFFFAOYSA-N 427.570 4.415 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC(CC(F)(F)F)CC2)c([N+](=O)[O-])c1Br 804714880 GHCNADLMWVQGFF-UHFFFAOYSA-N 442.188 4.443 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F 804852075 YMELYJWDKAYGEY-INIZCTEOSA-N 425.504 4.254 10 20 IICD CC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 807209395 JUEAELCLUGAIBI-PKOBYXMFSA-N 435.012 4.024 10 20 IICD Cc1cccc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ccccn2)c1 807671037 NGJJRFXUPHSZDH-VWLOTQADSA-N 444.579 4.099 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1Cc2cccc(Cl)c2C1 807815800 QYNGWQBUIGNREI-UHFFFAOYSA-N 434.926 4.064 10 20 IICD COc1cc(/C=C2\SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc(OC)c1OC(C)=O 814292967 CIFCDAXOYSSQPT-LPZUCNAQSA-N 435.567 4.409 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC 914576727 MVPIXAUHALTFDO-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1ccccc1 915722873 NOILBIZKLHVFST-QHCPKHFHSA-N 429.524 4.330 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC1(c2ccccc2)CC1 916234667 MMVGIUYEWZGZDI-UHFFFAOYSA-N 433.474 4.073 10 20 IICD O=C(c1ccccc1)c1ccc(OCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 917364099 DIZUCTCIRCNRKY-XMMPIXPASA-N 445.515 4.210 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3Cl)cc2)C1 917595709 IMNBAYBUCQVPCL-AWEZNQCLSA-N 437.396 4.182 10 20 IICD CCOc1c(Cl)cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 918015227 QDSDYUQIWLHWRR-UHFFFAOYSA-N 447.963 4.178 10 20 IICD Cc1cc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccc(Br)cc1 918679902 QBPHSZACNJEHBX-UHFFFAOYSA-N 440.341 4.228 10 20 IICD COc1ccc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccc(OC)cc2OC)cc1 1320180654 URYSXMGHABRHED-VKWFJVJPSA-N 435.476 4.043 10 20 IICD CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1321994332 PUIMTCNHZGJORV-UHFFFAOYSA-N 437.515 4.495 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1cccc(Cl)c1 1790263574 DFDKGZSFWQUFEQ-UHFFFAOYSA-N 437.883 4.208 10 20 IICD Cc1nocc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775887 UABAQMNNQHJFKK-UHFFFAOYSA-N 441.871 4.109 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1 1792297765 ICXZQBRTEKSJRM-NTUHNPAUSA-N 434.492 4.061 10 20 IICD CCOc1ccccc1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 727844566 YPWNRWFQJFAHSS-UHFFFAOYSA-N 433.499 4.197 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)cc1 728222830 NSIXSXDWCYGHKY-QGZVFWFLSA-N 431.577 4.391 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 728985048 VEXZXQMOFFMVRX-XHSDSOJGSA-N 427.501 4.282 10 20 IICD CNC(=O)C1(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CCC1 729967258 KUQVLTCKWJNQAB-GOSISDBHSA-N 433.474 4.214 10 20 IICD Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1Br 734143454 CFYJOCAOZFHPTQ-SJORKVTESA-N 446.389 4.233 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 737518044 VUWHDJAHAIIFMV-UHFFFAOYSA-N 444.457 4.252 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2sc(C)cc2Br)cc1 742273874 UDPCRTLEZYCKDO-UHFFFAOYSA-N 431.421 4.486 10 20 IICD COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 747860559 ZZEXOYYSBRMPSF-UHFFFAOYSA-N 425.348 4.167 10 20 IICD COc1ccccc1C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C 747955638 RTOZRWCKMVJECD-VXKWHMMOSA-N 426.557 4.359 10 20 IICD CN(Cc1ccccc1Cl)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748010403 NWNMHQGCISNHAJ-UHFFFAOYSA-N 436.942 4.180 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)o1 748095591 OCGWLTLANYAHTR-UHFFFAOYSA-N 446.428 4.399 10 20 IICD COc1cc(-c2noc(COC(=O)c3csc(Cc4ccc(N)cc4)n3)n2)ccc1C 751930260 BXAHRCBTEHMGMF-UHFFFAOYSA-N 436.493 4.040 10 20 IICD C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 751932209 SRIILQRCXPJWGM-KBPBESRZSA-N 443.956 4.392 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nn(-c4ccccc4)c4c3CCC4)cs2)cc1 751932593 VFKIPWRHWSHFJE-UHFFFAOYSA-N 430.533 4.348 10 20 IICD C[C@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1 752157556 XLGPVYQUURXHKM-FXAWDEMLSA-N 429.948 4.101 10 20 IICD Cc1cc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752850713 OULRJQMKPACAIF-HXUWFJFHSA-N 435.572 4.004 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C2CCCCC2)no1 753000722 IQJGYHKYFWRFJG-APWZRJJASA-N 428.533 4.275 10 20 IICD CSCC[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)c1nnc2ccccn12 756365217 NYOWYQYCNCECJU-NHYWBVRUSA-N 439.354 4.482 10 20 IICD CSC1(CN[C@@H](C)c2cc(Br)cc(Br)c2O)CCOCC1 756732627 JZPSRUDZZQFAMM-JTQLQIEISA-N 439.213 4.480 10 20 IICD Cc1coc(-c2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)n1 759022362 MODOJOUCRIBSPE-UHFFFAOYSA-N 431.448 4.116 10 20 IICD COc1ccccc1[C@H](CNC(=O)NCCCSc1nccs1)N1CCCCC1 759568392 MWHNXXMTJNNKHI-SFHVURJKSA-N 434.631 4.160 10 20 IICD CCCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 760334315 BXRLPWQGUKQZFD-UHFFFAOYSA-N 426.542 4.150 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCN(c2ccccc2Cl)C1 761280877 TXFXUZWPAHETEW-MRXNPFEDSA-N 434.323 4.132 10 20 IICD O=C(NCc1ccccc1OCC(F)(F)F)NCc1cccc(Br)c1O 764761648 CGXRGGLWSRSXNM-UHFFFAOYSA-N 433.224 4.095 10 20 IICD Cc1cc(Cl)c2c(c1)[C@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCCO2 768509884 XBGUERKLLZEVLC-PGRDOPGGSA-N 427.976 4.354 10 20 IICD CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@@H]1CCc2ccccc21 769654152 LLUITYPUQURDBV-GOSISDBHSA-N 428.535 4.014 10 20 IICD CCC(CC)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 775211750 KPJYQVYYHOXBIX-QHCPKHFHSA-N 433.593 4.107 10 20 IICD Cc1cc(C)cc(-n2nc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2C)c1 777714235 RXHBFXQBZIWTSK-UHFFFAOYSA-N 437.519 4.095 10 20 IICD Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ccc(O)c(O)c3)cc12 778929459 KRYFNTNEBTUJLB-UHFFFAOYSA-N 427.913 4.449 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1ccccc1Br 779074874 VRJKFOMMDOQTKT-OXQOHEQNSA-N 445.357 4.067 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1Cl 783302192 BPNYFYJICUSRNR-UHFFFAOYSA-N 427.932 4.130 10 20 IICD CO[C@H]1Cc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)cc2C1 783483107 NEDDLFJQAXLXIU-XDHUDOTRSA-N 429.520 4.115 10 20 IICD COCCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(C)c1 783487047 SZFXPAWZOCIFHQ-LJQANCHMSA-N 447.535 4.335 10 20 IICD COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1Cl 789386748 DZVALKOJCNJMPT-UHFFFAOYSA-N 441.915 4.175 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1 799833445 UKBRBUSRGUBKIK-QGZVFWFLSA-N 434.492 4.104 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C)n2)c[nH]1 800926784 VUIONYVLNXPFLO-UHFFFAOYSA-N 445.444 4.053 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCOC1 802612240 CYLZCZKESYLUHV-NRFANRHFSA-N 437.588 4.252 10 20 IICD C[C@@H](c1ccc(Br)cc1F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 804188194 JYGHIWXYFOAQAL-JTQLQIEISA-N 441.684 4.473 10 20 IICD CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807675409 XEWVDZMENHOKPC-MRXNPFEDSA-N 446.389 4.130 10 20 IICD Cc1cc(C(=O)Cn2cnnc2Nc2cccnc2)c(C)n1-c1ccc(OC(F)F)cc1 809376620 YNVNBDYERWKEQQ-UHFFFAOYSA-N 438.438 4.309 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)cc1 814286720 GBUAGMPKGGRRKR-GZTJUZNOSA-N 431.535 4.122 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 818460765 IYTQSGIJGMROEX-XAISIEJZSA-N 432.636 4.234 10 20 IICD COc1c([N+](=O)[O-])ccc([C@@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)c1O 877850253 KVUKFTUEEGHUSF-HSZRJFAPSA-N 433.464 4.427 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)cc1OC 906372870 KLCGMLFVLQMWLE-UHFFFAOYSA-N 428.894 4.421 10 20 IICD C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 915495453 OLBPLYBBEGNVLO-AWEZNQCLSA-N 439.339 4.029 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2CC2)cc1 915847489 IYWWLJWCRAMJGQ-UHFFFAOYSA-N 437.418 4.407 10 20 IICD CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916631889 LVGOTUXNYFHQRA-UHFFFAOYSA-N 443.416 4.162 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)s1 917219582 HUJPOQWLUQHKDV-UHFFFAOYSA-N 441.987 4.270 10 20 IICD CCOC(=O)c1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1Cl 918053070 FYWGFDHLESPGCP-UHFFFAOYSA-N 431.920 4.270 10 20 IICD Cc1cc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)c(C)n1-c1ccccc1 918249819 FHQBKASRTYFLMN-UHFFFAOYSA-N 444.579 4.382 10 20 IICD CCOC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 919778248 RQLMZOHDKUEYPZ-UHFFFAOYSA-N 428.558 4.154 10 20 IICD C[C@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(N2CCOCC2)cc1 920871453 KXRDKIUMEMULHO-IBGZPJMESA-N 432.524 4.380 10 20 IICD CN(Cc1ccccc1Br)C(=O)CCNCc1ccc(N2CCCC2)cc1 1116038752 BIHCQBUOPXRLCU-UHFFFAOYSA-N 430.390 4.188 10 20 IICD COc1ccc(N2CCN(C(=O)CNc3ccc(SC(F)(F)F)cc3)CC2)cc1 1317954826 WSROCUQNIFWYGY-UHFFFAOYSA-N 425.476 4.068 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1321537009 LUYVCIUGCDQJJO-UHFFFAOYSA-N 430.593 4.075 10 20 IICD CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1324231742 ZZKMKQMWJVDEAD-FQEVSTJZSA-N 446.551 4.097 10 20 IICD Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1787102869 GARGEPBVDACADS-UHFFFAOYSA-N 439.899 4.449 10 20 IICD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c[nH]1 1797143124 XMMHFFSMCNITPQ-VILGAWFOSA-N 430.552 4.296 10 20 IICD Cc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 12111151 NQMCJYMHNZQGNO-UHFFFAOYSA-N 427.501 4.025 10 20 IICD C[C@@H](c1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C 23852592 PMCFEYPTQAAMFV-KRWDZBQOSA-N 442.608 4.320 10 20 IICD OC1CCN(c2ccc(CNc3nc(-c4ccncc4)nc4ccccc34)cc2F)CC1 301055821 AIMXKQGNBFLIGW-UHFFFAOYSA-N 429.499 4.404 10 20 IICD CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 303234487 ZFSNOUYDMYUUFR-DEOSSOPVSA-N 426.626 4.470 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)n(C)c2ccccc12 472795439 SSNCEDMIBHKOPT-UHFFFAOYSA-N 432.524 4.471 10 20 IICD CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 609520419 ABPUFWFSTCSKJC-DEOSSOPVSA-N 436.552 4.151 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)c1 726627907 SGOVKZDULWIIMZ-LICLKQGHSA-N 447.534 4.135 10 20 IICD CC/C=C/COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 727043486 AIYUCCVSISXTJP-HZHMOWFVSA-N 426.357 4.160 10 20 IICD COc1ccc(Cl)cc1NCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 727105972 UFCKZXPGOJWVNZ-UHFFFAOYSA-N 439.890 4.147 10 20 IICD CCN1CCN(c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2F)CC1 730108238 IQZQCVWJBHNYFW-UHFFFAOYSA-N 438.503 4.426 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2oc(C(F)(F)F)nc2c1 730383335 LCPVARVHIGLGOE-UHFFFAOYSA-N 448.445 4.377 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1 732477788 LMHWIOQZLTVZAX-QGZVFWFLSA-N 434.492 4.104 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(OC)c(C)c3C)n2)c1 735406382 BVVUYWKTLQPZKC-UHFFFAOYSA-N 434.539 4.254 10 20 IICD Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1Cc1ccccc1 742799006 GEWJYUOFFNROAO-IBGZPJMESA-N 440.494 4.240 10 20 IICD Cc1ccc(C)c(N2N=C(C(=O)N(Cc3ccco3)Cc3ccccc3O)CCC2=O)c1 743430101 BNMRXZHZKJJLNX-UHFFFAOYSA-N 431.492 4.314 10 20 IICD CN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903016 AWOQXERBUUIQEV-INIZCTEOSA-N 425.426 4.377 10 20 IICD CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(NC(C)=O)c2)C1=O 748848816 JVPLJUANAWUKIR-VCHYOVAHSA-N 443.506 4.358 10 20 IICD CCSc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 752296498 REKWGNRGNMGXFG-INIZCTEOSA-N 431.989 4.084 10 20 IICD C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 752806452 ZZKZGRBZFWGJPX-IAGOWNOFSA-N 440.540 4.064 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4C)cc2)CC1 753830662 KFCDIOYECGLBAN-UHFFFAOYSA-N 449.576 4.145 10 20 IICD COc1c(F)cc(Br)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 758161380 DODOWRZZEQEVKW-UHFFFAOYSA-N 445.093 4.410 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC 759199409 MGKZRPCAWGPJJG-UHFFFAOYSA-N 440.327 4.373 10 20 IICD COc1cc(N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc(OC)c1OC 759226524 XYZBQBRHESDGAJ-UHFFFAOYSA-N 449.551 4.082 10 20 IICD CC(C)[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 763548388 MOGQSQUYUWWOAZ-ZEVOCZHWSA-N 428.373 4.238 10 20 IICD COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)o1 764412167 PSKZTDRFJJJVCV-LICLKQGHSA-N 426.475 4.123 10 20 IICD CCOc1cc(CNC(=O)NCc2cccc(Br)c2O)ccc1OC(F)F 764764629 RDIFVBNWZBRDHA-UHFFFAOYSA-N 445.260 4.154 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 765378877 BZMPSAVMRIWWBF-IBGZPJMESA-N 445.604 4.451 10 20 IICD C[C@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(Br)c21 765980092 OIFDCLWVYFFCRQ-MGPUTAFESA-N 449.414 4.022 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)c(OC)cc1OC 766149831 CSNOIYSGUIBRPC-UHFFFAOYSA-N 439.306 4.235 10 20 IICD CN(Cc1cc2c(cc1O)OC[C@H]2O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 768442480 QLAMZDQPHDXEOV-XMMPIXPASA-N 427.504 4.303 10 20 IICD Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768916297 PAAVJMIGBQSHRO-IBGZPJMESA-N 441.963 4.074 10 20 IICD COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 775152114 XXENPWIGOQWUAN-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CCN1CCN(c2ccc(CNCc3cccc(Br)c3OC)cc2F)CC1 775304344 BIHWLCGIGQNUEY-UHFFFAOYSA-N 436.369 4.029 10 20 IICD COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 775375099 IVTKQTKWFNTKCR-NWDGAFQWSA-N 433.480 4.480 10 20 IICD Cn1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccc(Br)cc21 776798063 SRIGLIHDDYDNBM-KRWDZBQOSA-N 430.346 4.223 10 20 IICD O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c(Br)c1 777473108 BUAMEHVMVYWXGL-UHFFFAOYSA-N 433.234 4.272 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 777666168 VILMFJVKOGLDCJ-UHFFFAOYSA-N 448.482 4.006 10 20 IICD O=C(CN1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(N=Nc2ccccc2)cc1 778230896 DYUVTHLTRNUFEO-HNNXBMFYSA-N 433.434 4.041 10 20 IICD CON(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 781027933 BXDDYWPHZQZDKU-GHRIWEEISA-N 432.592 4.320 10 20 IICD O=C(Nc1cccc(N2CCCCC2=O)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896056 LRLIYRIHVCUNGB-UHFFFAOYSA-N 449.551 4.209 10 20 IICD CCc1c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cnn1CC(C)C 783487143 UWWDGYXEPUFMMS-SFHVURJKSA-N 433.556 4.417 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(-c2ccccc2)ns1 784650441 LIGBVNSNZUSWND-UHFFFAOYSA-N 434.565 4.398 10 20 IICD COCCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCSCC2)cc1 792036323 UFUIWVYQCROQCY-JOCHJYFZSA-N 427.614 4.077 10 20 IICD Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C 807680056 ZASIANZATAZWNV-OFNKIYASSA-N 438.568 4.112 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cccc(Cl)c34)cc2F)C[C@@H](C)O1 814311744 WQRYPPRETFOTHR-HUUCEWRRSA-N 429.923 4.433 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-c2cc[nH]n2)s1 819519292 RXUBNDNLLRJFMF-UHFFFAOYSA-N 426.542 4.140 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(Cl)cc2OC)n1 917897493 MRTWARPTFOTZMK-UHFFFAOYSA-N 428.894 4.421 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C3CCCC3)cc2)C1 918123251 RTWLXJSSCQVCKA-LADGPHEKSA-N 434.584 4.119 10 20 IICD O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 919969986 MZARIQJIYYLJKJ-UHFFFAOYSA-N 444.575 4.318 10 20 IICD Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C 919976002 XVVQSJSMGHJNSZ-UHFFFAOYSA-N 431.945 4.264 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1 920056483 SPIRUJUHQIDCSU-VWLOTQADSA-N 449.526 4.260 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)SC1=S 920837119 VYEHQPTYUBROBC-UKTHLTGXSA-N 446.453 4.042 10 20 IICD C[C@@H](NC(=O)N(C)Cc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 920869866 CANCSVBNMBTRPL-MRXNPFEDSA-N 432.362 4.188 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1 1251151042 WYSCFSBDUVLKSI-UHFFFAOYSA-N 441.531 4.243 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cccc(Cl)c1F)c2[N+](=O)[O-] 1318810538 QUAYJRATMJWRDQ-UHFFFAOYSA-N 438.798 4.093 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2F)C[C@H](C)O1 1319161963 ZACFPOZAPCBCPA-HOTGVXAUSA-N 427.545 4.298 10 20 IICD COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 1321985464 VESYDZLEIMTTNA-UHFFFAOYSA-N 448.419 4.499 10 20 IICD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ncc(-c2ccccc2)n1C 22068736 CJAPGPADYGXPGH-UHFFFAOYSA-N 445.592 4.357 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 248133792 MCQDAPCVIFOMQH-LEWJYISDSA-N 429.358 4.300 10 20 IICD OCC1CCN(c2ccc(CNc3cc(C(F)(F)F)nc(-c4ccncc4)n3)cc2)CC1 301279807 JZWKUDUMTVLLHM-UHFFFAOYSA-N 443.473 4.378 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(C)n1-c1ccccn1 303056093 SUUYZRCQNUMQRJ-UHFFFAOYSA-N 443.551 4.028 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CNC(=O)c4ccccc4)C3)ccc21 482215321 RKOOMDRRGLPCQJ-OAQYLSRUSA-N 447.579 4.187 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(C)n1C[C@@H]1CCCO1 726197279 PDBZJLRYQQKTSV-XAJRUKRBSA-N 427.595 4.123 10 20 IICD CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc(Cl)c1OC 726628081 SXKHLKIXJYCSBY-MHWRWJLKSA-N 448.953 4.252 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)Cc3cc(Br)cs3)CC2)cc1 726715282 MNHVOEJLVYLEQS-UHFFFAOYSA-N 438.391 4.330 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 727034533 UJFYBTWXUOMPKR-MJUUVYJYSA-N 429.580 4.287 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)c1 728983016 RLIXAYLUDQTAMJ-CQSZACIVSA-N 430.464 4.020 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 729051265 PRQOZISSHTUIJB-QGZVFWFLSA-N 443.507 4.209 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](C)N3CCc4sccc4C3)cc2)CC1 731049529 AHBQPPPDSDINEF-LJQANCHMSA-N 426.630 4.230 10 20 IICD COc1cccc(-c2n[nH]cc2CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 733334089 ADDFDPRTXWIOHD-FQEVSTJZSA-N 426.948 4.199 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(CCc3cccc(F)c3)C3CC3)cc2F)C[C@@H](C)O1 733848153 LWIKIBIELOWCOL-QZTJIDSGSA-N 443.538 4.495 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)cc1 740457836 KPBCQLFKMOBKPP-UHFFFAOYSA-N 446.617 4.240 10 20 IICD COC(=O)CN(Cc1csc(-c2ccccc2OC)n1)Cc1cc(Cl)ccc1O 740878116 WFZXDLVLDAFXTQ-UHFFFAOYSA-N 432.929 4.353 10 20 IICD Cc1cc(C(=O)CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(C)n1-c1cccc(F)c1 741780284 WLSILHOPHSEPCB-UHFFFAOYSA-N 449.526 4.472 10 20 IICD O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N(Cc1ccco1)Cc1ccccc1O 743428966 UCFHOVVLOSTOIH-OAQYLSRUSA-N 430.504 4.056 10 20 IICD C[C@H](c1ccccn1)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 743655529 STDOXXABEGDEQF-INQVIGDZSA-N 431.608 4.344 10 20 IICD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 743716950 CCRNRJRNCYKYPA-VQTJNVASSA-N 426.513 4.151 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 747411663 UZKKKJARDNXSTM-DVECYGJZSA-N 425.573 4.186 10 20 IICD Cc1oc2c(CN3CC[C@@H](Cc4cnn(C)c4)C3)c(O)ccc2c(=O)c1-c1ccccc1 747459652 FJYNCWQMIFPNER-SFHVURJKSA-N 429.520 4.272 10 20 IICD COc1ccc(N2CCN(C(=O)c3cccc(CN(C)Cc4ccccc4)c3)CC2)cc1 750833407 MNNWGTULERDYCZ-UHFFFAOYSA-N 429.564 4.290 10 20 IICD CCOC(=O)Cn1cccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1=O 754171228 YSWLVJXBMZUXCV-UHFFFAOYSA-N 447.495 4.145 10 20 IICD CCOc1ccc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nc1 756370541 KXONWHDPJKHTAF-BOPFTXTBSA-N 448.591 4.267 10 20 IICD C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(Br)c1O 756500977 AEVBAFCHPHSFTA-WCBMZHEXSA-N 446.105 4.204 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 758415802 LYCQEYFWPXKZJD-GPILYODUSA-N 434.926 4.081 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC3(CCOC3)CC2)sc(C)c1-c1ccccc1 761056930 AILNZKNLESHSFG-UHFFFAOYSA-N 442.581 4.341 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(F)c(C)cc3F)n2)c1 762627393 DJRRZINYSRZAJP-UHFFFAOYSA-N 426.466 4.215 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](CCc3ccccc3)c3ccccc3)cc2)CC1 765979954 WZXGBUAEWVCUDK-SANMLTNESA-N 434.605 4.385 10 20 IICD C[C@H](c1nc2ccccc2s1)N1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 768201094 RMPUWLBILDYCSM-GOSISDBHSA-N 440.588 4.151 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccccc2)c1COC 768256068 YWKXMAFJZAURMB-UHFFFAOYSA-N 444.329 4.149 10 20 IICD COc1ccccc1N(C(C)=O)c1nc(CN2CCOc3cc(N(C)C)ccc32)cs1 774752693 KKUDRIIWHSMIMH-UHFFFAOYSA-N 438.553 4.301 10 20 IICD CC(C)COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cn1 783482417 HBVNSVIWAZKIQH-GOSISDBHSA-N 432.524 4.432 10 20 IICD COc1ccc(N2CCC(NC(=O)c3cn(C)nc3-c3ccc(Cl)s3)CC2)cc1 789641162 WYCJRKKTTCLDFA-UHFFFAOYSA-N 430.961 4.209 10 20 IICD CCc1c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C 792492262 AGYQZSLHNORCKI-IBGZPJMESA-N 433.556 4.462 10 20 IICD O=S(=O)(c1cccc2nonc12)N(Cc1cccnc1)c1ccc(Cl)cc1Cl 799185470 NEQOSSXXNRCBII-UHFFFAOYSA-N 435.292 4.320 10 20 IICD CSc1ccc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 799199277 VIOMMVGRNFDWFN-OKZBNKHCSA-N 445.604 4.128 10 20 IICD COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])s3)n2-c2ccc(OC)cc2)cc1 799928683 SZYHAGFGKMUPKB-UHFFFAOYSA-N 441.494 4.467 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)c4ccccc43)cc2Cl)C1 800049034 LADBJJWECXOUGR-JXFKEZNVSA-N 425.960 4.062 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 803509892 LUONRHHJWYBFLC-UHFFFAOYSA-N 427.932 4.015 10 20 IICD C[C@@H](c1ccccc1Cl)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 917396654 GELLQBCOAAPASG-KRWDZBQOSA-N 445.966 4.158 10 20 IICD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 917869119 AITOUNPUIHFXCI-UHFFFAOYSA-N 441.987 4.004 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)cc1 918202394 ZPUYNGAVVHTUKB-SRGWNRLKSA-N 441.547 4.398 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC(F)F)cc1 918213262 OOKSVSGOVWASGZ-MRXNPFEDSA-N 433.499 4.057 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1)C1CCCCC1 1115908064 WWSBAQBVEMDLPL-QFIPXVFZSA-N 448.611 4.087 10 20 IICD Cc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(C)n1-c1ccccn1 29090606 STPZOAKMBOTLMI-UHFFFAOYSA-N 442.485 4.466 10 20 IICD CN1CCCc2cc(CNC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)ccc21 195738990 AXQXUZWKBHGCPI-UHFFFAOYSA-N 432.421 4.343 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3c(ccc(Cl)c3Cl)C2)c1 726184638 LEMQRVFOFLWGDM-UHFFFAOYSA-N 449.378 4.292 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n1 727245149 DRHAJRWSYFXHRW-UHFFFAOYSA-N 426.523 4.114 10 20 IICD Cc1ccccc1-c1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n(CCO)n1 727470678 VPITZPCAGQFBAQ-UHFFFAOYSA-N 435.528 4.361 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)ccc21 728638118 VZNWGKHKGYULKD-HNNXBMFYSA-N 429.904 4.137 10 20 IICD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1 729345280 VYUDZHUFQDEYQO-UHFFFAOYSA-N 445.629 4.226 10 20 IICD CC(C)c1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 729600332 XEJRCDAFKFCDTI-OAQYLSRUSA-N 436.600 4.246 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2F)CC1 730117970 RNHUVGLCVBLKCU-HXUWFJFHSA-N 438.469 4.070 10 20 IICD CC1CCN(c2cccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)CC1 740458894 QYWICLXJJRPERN-UHFFFAOYSA-N 440.563 4.345 10 20 IICD COc1cc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC 745503771 NKODKJKAWABVEC-KRWDZBQOSA-N 429.561 4.460 10 20 IICD CCc1ccc([C@H]2COCCN2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 745905435 NYGVXIRRKKLTJL-OXJNMPFZSA-N 449.498 4.195 10 20 IICD CN(C)c1ccc(CN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C2CC2)cc1 748620910 XGABANVYCRHKJI-UHFFFAOYSA-N 447.436 4.296 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc23)cc1 751146504 UQFPJCALFSIEKM-UHFFFAOYSA-N 430.960 4.117 10 20 IICD COc1ccccc1CC(=O)N1CCC(N[C@H](C)c2ccc(Br)cc2O)CC1 756512437 YIXAFGBYKZGSNE-OAHLLOKOSA-N 447.373 4.048 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnc1Cl 760056473 QPQZCINLGQHAQO-UHFFFAOYSA-N 428.842 4.221 10 20 IICD CCOc1cc(Br)c(NC(=O)NCCc2ccc(O)c(O)c2)cc1OCC 761630988 DFNOOKJJDGYTHQ-UHFFFAOYSA-N 439.306 4.022 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 764799979 OJJMOBACHDIVPU-LBPRGKRZSA-N 442.716 4.025 10 20 IICD CC1CCN(C(=O)c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)CC1 765261510 YREJBPQUQGLQTM-UHFFFAOYSA-N 446.345 4.349 10 20 IICD O=C(CCC(=O)c1ccc(Cl)cn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 768990648 WQVIZKALJKNQRN-UHFFFAOYSA-N 437.874 4.085 10 20 IICD Cc1cc2c(F)c(OCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc2[nH]1 769842674 HDPKNISSRFYDER-HZPDHXFCSA-N 443.494 4.063 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)CC1 770153379 LLZSIFPNBUZYDN-UHFFFAOYSA-N 445.445 4.150 10 20 IICD O=C1c2ccccc2C(=O)c2cc(NC(=O)C3(OCc4ccccc4)CCOCC3)ccc21 772071309 XHJLGMSECNWZFW-UHFFFAOYSA-N 441.483 4.167 10 20 IICD Cc1ccccc1-c1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 772907691 BJRGOLZIPKGCII-UHFFFAOYSA-N 425.529 4.333 10 20 IICD Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)o1 775253417 CTXUZAXWSVASHR-QGZVFWFLSA-N 445.523 4.387 10 20 IICD O=C1[C@H](NCc2cccc(Br)c2O)CCN1c1ccccc1C(F)(F)F 775318479 INOMPHWLLOKUTC-CQSZACIVSA-N 429.236 4.069 10 20 IICD COc1ccc2nc(Cl)c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2c1 775482665 VEYIFDORUIYIQO-HNNXBMFYSA-N 425.916 4.224 10 20 IICD CCOC(=O)[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 781204997 ZTQSIFHFAQAYJT-VGOFRKELSA-N 438.528 4.256 10 20 IICD COc1ccc(N2CCCN(C(=O)c3c(F)ccc(Br)c3F)CC2)cc1 782716255 IWFTXISBEZTJCL-UHFFFAOYSA-N 425.273 4.088 10 20 IICD Cc1coc(-c2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc2C)n1 783316764 LTTBKUVOMXOHIB-UHFFFAOYSA-N 434.540 4.400 10 20 IICD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783485153 HDYUBOAMVDDVDR-GOSISDBHSA-N 444.535 4.060 10 20 IICD CCCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1cccc(F)c1 783957385 KVZUMFVQNPROTM-UHFFFAOYSA-N 436.531 4.371 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)c2C)cc1 787813918 VJNHSROLNIMTRE-MRXNPFEDSA-N 430.512 4.082 10 20 IICD Cc1c(Br)ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1F 789382848 RRHOIZNRCQGXPG-UHFFFAOYSA-N 448.336 4.092 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 789835860 JSPSWLPAABKXJA-KRWDZBQOSA-N 433.508 4.056 10 20 IICD COCN1C(=O)CCc2cc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc21 801787905 NSMWIFXIMBPSIG-UHFFFAOYSA-N 436.556 4.224 10 20 IICD Cc1cc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CC(C)C)c(C)n1-c1ccccc1 802678730 VINBJOMJXREVSP-UHFFFAOYSA-N 449.599 4.394 10 20 IICD COc1cc(N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])cc1OC 811861869 PZDFZWAEIJADGS-INIZCTEOSA-N 435.521 4.085 10 20 IICD COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)o2)cc1 914506784 SOOVUPGLKNEFHV-UHFFFAOYSA-N 440.569 4.341 10 20 IICD O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457020 WIMZXPZRIMRWGE-CSKARUKUSA-N 441.453 4.420 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)NCCCO[C@H](C)c3ccccc3)cc2F)C[C@@H](C)O1 918197187 PHLYWRXKFQSSLS-VAMGGRTRSA-N 443.563 4.406 10 20 IICD CCCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920872556 UGJONXAWOWNLLD-OALUTQOASA-N 441.572 4.442 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1318958507 ZWGLVWBWMAGDFT-QHCPKHFHSA-N 430.552 4.393 10 20 IICD Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c1 1788427715 GGMPKRJMBWMBFA-UHFFFAOYSA-N 435.455 4.002 10 20 IICD COCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821158928 LYJCGLZFEWDTDD-JOCHJYFZSA-N 449.555 4.160 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)c2C)c1 9720166 NTAZQPSUYFPFSP-UHFFFAOYSA-N 439.533 4.154 10 20 IICD O=C1N=C(N2CCCCC2)S/C1=C/c1cc(Br)c(O)c(Br)c1 98068757 PXUVDANJBOFRTN-XYOKQWHBSA-N 446.164 4.373 10 20 IICD CC(C)NC(=O)Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)cc1 435632357 NRMRJUJEYHCYOK-UHFFFAOYSA-N 446.595 4.114 10 20 IICD O=C(Nc1ccc2ccccc2c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726726392 LYTFROPNORETBQ-UHFFFAOYSA-N 439.462 4.165 10 20 IICD O=C(NCc1cc(-c2ccccc2)on1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726851728 ANFXEKWNZQEJGY-UHFFFAOYSA-N 442.466 4.411 10 20 IICD CCOC(=O)/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1nccn1Cc1ccccc1 727266835 HLOUIVDHURXMOT-PGMHBOJBSA-N 435.499 4.011 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(Cc3ccc(C)o3)C3CC3)ccc21 728638491 KOZIFIIEQWCNGF-UHFFFAOYSA-N 438.524 4.154 10 20 IICD CC(C)(C)c1cnc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)o1 733385525 IBAJHUOSWATUQW-UHFFFAOYSA-N 434.404 4.013 10 20 IICD O=C1NCCc2ccc(S(=O)(=O)Nc3nc(-c4cccc5ccccc45)cs3)cc21 734975617 RVOVGQIIBICBCB-UHFFFAOYSA-N 435.530 4.050 10 20 IICD COc1ccc2cc(/C=C/C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2c1 736194746 CLPZXHFZWZEHRU-VZUCSPMQSA-N 430.548 4.387 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(F)c(F)cc2I)c1 743230253 OGDBBYVHODRMJG-MRVPVSSYSA-N 448.207 4.166 10 20 IICD Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 743315771 BJWVIVVVAJDGDC-TZIWHRDSSA-N 436.600 4.083 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)n1Cc1ccccn1 751408034 XIXGDHOFXCBECN-VWLOTQADSA-N 446.595 4.436 10 20 IICD Cc1cc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 752316684 MFQJRYHOPPAWMD-XMMPIXPASA-N 426.561 4.256 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1nc(-c2cc(Cl)ccc2Cl)cs1 753897284 QPFRKBXKRMLYQT-ZSOIEALJSA-N 426.350 4.419 10 20 IICD COc1ccc(N2CCN(C(=O)NC[C@H]3CCCO[C@@H]3c3ccc(C)cc3)CC2)cc1F 753919751 VRJDEOZNSCLSHX-HYBUGGRVSA-N 441.547 4.142 10 20 IICD CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3C[C@@H](C)c4c(F)ccc(O)c43)CC2)cc1 756498161 WBMQRLGUNAKFKS-FOIQADDNSA-N 432.561 4.132 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2cc(Cl)ccc2O)CC1 756770151 UAIKCZCJNKCBMT-KRWDZBQOSA-N 437.005 4.458 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 757285735 KXSGSWZWJUVWGC-DEOSSOPVSA-N 448.611 4.052 10 20 IICD C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)c(F)cc1O 760018558 PSQIDRBKYXHZOP-WBVHZDCISA-N 437.353 4.236 10 20 IICD C[C@@H](NC(=O)Nc1nnc(/C=C\c2ccco2)s1)c1ccc(N2CCOCC2)cc1 764002717 WTFFVDLBFVUQQK-WHLNPGIBSA-N 425.514 4.021 10 20 IICD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 765841349 OTSPCYFBRZOACI-HNNXBMFYSA-N 447.251 4.080 10 20 IICD CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1Cl 765979217 JMLITHMZEOJILE-FQEVSTJZSA-N 427.397 4.469 10 20 IICD CCCCCn1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)n1 767303363 RXDYMURSHRQYJN-UHFFFAOYSA-N 449.546 4.451 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3c4ccccc4CC[C@@H]3n3ccnc3)CC2)cc1 769097335 ZCKCFQQCDMVWKJ-DQEYMECFSA-N 445.567 4.089 10 20 IICD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(OC)c1O 769452528 VQOQHRKHVCDWQL-KRWDZBQOSA-N 449.345 4.083 10 20 IICD C[C@H](CC(=O)c1ccco1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 771565996 RZCQJIFGVWEZKD-KAECEXQPSA-N 448.591 4.100 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 772100413 SBMBBIAOABTGMI-QHCPKHFHSA-N 449.555 4.022 10 20 IICD C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1 772875197 MDTAKSFXEFTZQL-WMZHIEFXSA-N 431.621 4.163 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](C[C@H]2CCOC2)C1 774193584 SVQUAHDUECRNIC-ZWKOTPCHSA-N 437.531 4.105 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1C 775206893 FAHSHOOPIHUEEN-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CC[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1O 775513246 OUQCCTFUBCQPBI-LBPRGKRZSA-N 435.295 4.054 10 20 IICD Cc1cc(Br)cc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O 776254554 ZGWIBMVKDVJHPA-MOPGFXCFSA-N 439.781 4.278 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)cc2)CC1 780425935 AZPYBLAMDMYASF-GHTZIAJQSA-N 427.511 4.206 10 20 IICD CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 782515112 VJMDMPMLLFKOPF-UHFFFAOYSA-N 442.648 4.493 10 20 IICD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782895864 GREMFYAEHFARIK-UHFFFAOYSA-N 437.540 4.287 10 20 IICD COC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C 783483295 ROLQWQXZXIERRT-KRWDZBQOSA-N 431.492 4.097 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cnc1Br 784062902 WFPGTYUBQIHCNH-UHFFFAOYSA-N 431.334 4.039 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1 786873578 BSKWWMBVKOSFKP-UHFFFAOYSA-N 428.532 4.145 10 20 IICD CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 787871569 BRBREEBXCKSPKE-GOSISDBHSA-N 436.508 4.179 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cn(C)nc3-c3ccc(Cl)s3)CC2)cc1 789625676 IEHIBSSUVTYVFA-UHFFFAOYSA-N 430.961 4.163 10 20 IICD CC(C)n1ncc2cc(/C=C3\C(=O)N(C)c4ncc(Br)cc43)c(Cl)nc21 794877842 MUPCCQYDLWVYOL-RZNTYIFUSA-N 432.709 4.340 10 20 IICD COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 797408476 QOPYCYAWAXWSEY-UHFFFAOYSA-N 431.323 4.150 10 20 IICD O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 798170641 ZURDELSSSBBSDK-KRWDZBQOSA-N 429.423 4.201 10 20 IICD CO[C@H](C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)c1cnn(C)c1 798398351 URCORBQYQACKRV-CTNGQTDRSA-N 446.473 4.419 10 20 IICD CN(Cc1ccc(F)cc1F)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 803678006 WHAUUUOMIXGPDJ-UHFFFAOYSA-N 429.511 4.009 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1F 804851439 CFLCEEHSNLGJTI-GOSISDBHSA-N 448.542 4.228 10 20 IICD O=C(Nc1cccc(-c2ccccc2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 806843646 KSFHDRWRVLFWBS-QHCPKHFHSA-N 430.504 4.206 10 20 IICD O=C(NCc1ccncc1OC[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 807615664 JWRQIFLDIYERGG-IBGZPJMESA-N 439.556 4.247 10 20 IICD Brc1cc(Br)cc(CNCc2ccc(N3CCOCC3)cc2)c1 808382865 NQTDWWBJUPQCPY-UHFFFAOYSA-N 440.179 4.338 10 20 IICD Cc1cc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2C)c(C)n1-c1ccccc1 809839384 JXDVFTUVJBAZBH-UHFFFAOYSA-N 445.546 4.140 10 20 IICD Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C(F)(F)F 810048652 BBGARNRPBQXOAZ-INIZCTEOSA-N 429.460 4.089 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2C)c1 812279917 WLKRDCHJGMOSBD-SFHVURJKSA-N 435.490 4.242 10 20 IICD CC(C)[C@H]1N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC12CCC2 813586052 NWYAOCWXTLAZRM-LJQANCHMSA-N 425.495 4.262 10 20 IICD O=C(Cc1cc2c(cc1Br)OCCO2)NCc1cc(Cl)cc(Cl)c1O 813684331 NHZCRZQOZLQFBW-UHFFFAOYSA-N 447.112 4.092 10 20 IICD COc1cc(-c2noc(CCCCCNCc3cc(Cl)c(F)cc3O)n2)ccc1O 816550627 WZSJOFBWQIIHOF-UHFFFAOYSA-N 435.883 4.452 10 20 IICD CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC 915164254 QBPONBBLNSMGET-IBGZPJMESA-N 444.443 4.260 10 20 IICD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(Br)cnc2Cl)cc1 917651436 HIBCEWXKSCWHFS-UHFFFAOYSA-N 446.798 4.164 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 917712398 YBCGBYGRJOQBJO-BZUAXINKSA-N 447.532 4.145 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccnc(Oc2ccccc2)c1 918204528 ISJUITDYQOERHJ-UHFFFAOYSA-N 446.551 4.082 10 20 IICD C[C@@H](COc1ccccc1F)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1318834696 ANGOURIZQJRGBC-HOTGVXAUSA-N 437.462 4.163 10 20 IICD C[C@@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 1320979394 BQKLSXTWFATGCW-MRXNPFEDSA-N 444.457 4.219 10 20 IICD Cc1cc(C(=O)NCCc2nc(C(C)C)no2)c(C)n1-c1ccc(Br)cc1 1327342188 HYNMUVJJNCAWHL-UHFFFAOYSA-N 431.334 4.336 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)ccn2)C3)cc1 1845398875 NJWCVLNUYUDXQR-UHFFFAOYSA-N 448.954 4.273 10 20 IICD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(Cl)cc1 1847409903 VSBJOJUNGWWWQY-IGNZVWTISA-N 449.334 4.024 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(F)cc3Br)CC2)cc1 195614025 OXDGUPJTMKLYNX-UHFFFAOYSA-N 436.325 4.019 10 20 IICD COc1ccc(N(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C(C)C)cc1F 725816261 MVGFANOINKEZHV-UHFFFAOYSA-N 432.496 4.170 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(C)n1-c1nccs1 727864058 QTDZSMRJDKWASD-GZTJUZNOSA-N 426.592 4.390 10 20 IICD COc1ccc(CN2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)cc1 728312193 LDHYXFSUIMWDPL-VXLYETTFSA-N 425.510 4.421 10 20 IICD Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)c(C)c1 728523905 HONTZBSVUFWHEZ-OAQYLSRUSA-N 434.565 4.260 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)ccc21 728637066 HQRZESUIIVCUPK-GOSISDBHSA-N 438.524 4.480 10 20 IICD COC(=O)CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1cc(Cl)ccc1O 731844631 HDLQOSGJWYWOEF-UHFFFAOYSA-N 438.911 4.326 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 734070786 LYEJFOPOQLTJPM-UHFFFAOYSA-N 442.519 4.312 10 20 IICD O=C1/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 735332028 VSQBDAQTUAUFEA-GTNUZRKBSA-N 441.530 4.379 10 20 IICD CCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1-c1ccccc1 735547192 GONDPOZIGIPSNM-UHFFFAOYSA-N 428.492 4.277 10 20 IICD C[C@H]1CN(c2ccc(CNc3ccc(C(=O)Nc4ccccc4)nn3)cc2F)C[C@H](C)O1 737398343 NRVNXPGWIXHQNR-IRXDYDNUSA-N 435.503 4.094 10 20 IICD O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743181532 OYGRNHQZMUIMNH-UTKZUKDTSA-N 447.482 4.246 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 745748008 XWORAPMWEUIOPE-UHFFFAOYSA-N 447.501 4.463 10 20 IICD C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 749129579 ZNMDRJGLGUAJAD-INIZCTEOSA-N 444.457 4.219 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 749464426 WTESEAVATYNLRD-MRXNPFEDSA-N 440.535 4.066 10 20 IICD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 749730412 PJLGLIXMDIPEKW-UHFFFAOYSA-N 440.594 4.017 10 20 IICD CCC1(CC)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21 752653522 IKWQWYGDCYOPFM-HXUWFJFHSA-N 434.584 4.176 10 20 IICD C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccc(N2CCOCC2)cc1 753970084 ITFFSNPUCDZFPZ-HNNXBMFYSA-N 442.357 4.187 10 20 IICD OCC1CCN(c2ccc(CNCc3cn(-c4ccc(Cl)cc4Cl)nn3)cc2)CC1 756015807 QQINIAYWCUAFPU-UHFFFAOYSA-N 446.382 4.073 10 20 IICD O=C(C(=O)N1CCc2c1cccc2C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O 759371109 TYIDJSIHXPGKHE-UHFFFAOYSA-N 444.409 4.122 10 20 IICD CCOc1ccc(C(=O)NCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 764321310 UTOBSQUJNXILJA-IBGZPJMESA-N 432.520 4.311 10 20 IICD O=C(c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1)N1CCSCC1 770547597 XRHSHKOVPQEKLX-UHFFFAOYSA-N 440.569 4.386 10 20 IICD C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc(N(C)C)cc1 773621524 BNRGARKBFFSDII-QRWLVFNGSA-N 432.362 4.359 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 778619196 VUMHNYQTMRNMAW-UHFFFAOYSA-N 439.943 4.293 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc(Br)c(F)cc3O)c2)CC1 783294416 QBHDCVOAOAFIAG-CYBMUJFWSA-N 436.325 4.135 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)N[C@H](C)c1ncnn1C 788735168 DASFEZCUUWXFFP-RDTXWAMCSA-N 446.477 4.371 10 20 IICD CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1F 788936189 IKMCMFVVEJJYOW-NRFANRHFSA-N 431.939 4.209 10 20 IICD Cc1cc(C)c(N2CC[C@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)c(C)c1 789082469 CVFGQWCBPUUPAE-FQEVSTJZSA-N 435.549 4.204 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](c4nccn4C)C3)cc2Cl)C1 799994969 SUJLLIAHHJXODP-HKUYNNGSSA-N 429.996 4.399 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](CN(C)CC4CC4)C3)cc2Cl)C1 800718743 CYNNVEVILLLKBL-RXVVDRJESA-N 433.040 4.450 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 801551791 SQEIXMDLBWIGQW-UHFFFAOYSA-N 440.359 4.001 10 20 IICD CC(C)Oc1ccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1 806175786 FMPZOUCFTJCAJR-KBMIEXCESA-N 429.580 4.403 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1ccc(Br)cc1 915622748 FAHRTWVTRLYDSG-UHFFFAOYSA-N 431.374 4.222 10 20 IICD Cc1cccc(CSCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916456984 UABZXWFBACKJBH-UHFFFAOYSA-N 438.515 4.400 10 20 IICD CCN(CC)c1ccc(CNC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 916503143 UMEZPTVNZUXLJX-QJOMJCCJSA-N 442.523 4.094 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 918545057 FQSQQTOECQOTOH-UHFFFAOYSA-N 442.466 4.337 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1C(F)(F)F 919919885 GQMXZUYBHNTVKO-AWEZNQCLSA-N 439.453 4.366 10 20 IICD C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc(N2CCOCC2)cc1 920880359 HBWBMCNOFCDHHU-INIZCTEOSA-N 429.358 4.195 10 20 IICD COc1ccccc1C1(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCC1 1116076514 DSEHWRPWFVOACX-HDICACEKSA-N 441.547 4.327 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3nnc(C(F)F)n3c2)cc1 1319109627 HPVQJRZRWMMPFB-UHFFFAOYSA-N 425.439 4.169 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2nc3cccnc3[nH]2)cc1 1321954064 IHQFDKWVCSBUJW-UHFFFAOYSA-N 429.524 4.199 10 20 IICD CN(C)c1ccc(CNC(=O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 71957465 ILWUPLDJLONCQX-UHFFFAOYSA-N 426.948 4.043 10 20 IICD CC(C)COC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccco1 725868551 WRNDFUUNNOQERM-LVCYWYKZSA-N 447.551 4.245 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1F 731403983 CZWVXWXXSYHQAY-UHFFFAOYSA-N 436.522 4.224 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc21 737380911 JYLGVDGZBTZBNM-UHFFFAOYSA-N 449.504 4.188 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)c3ccccc23)cc1 740812197 XHYHANRWUANRPL-UHFFFAOYSA-N 448.566 4.191 10 20 IICD COc1ccc(CC[C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 742760756 RARGJKFHXLMOJL-GBESFXJTSA-N 443.563 4.268 10 20 IICD C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2)C1 747010129 VCOPIADEHQOKGX-UWJYYQICSA-N 441.547 4.242 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 747755895 RUMYROYBGABOEX-UHFFFAOYSA-N 441.453 4.400 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1Cl 748061890 XYHCQXHIRGGJOH-UHFFFAOYSA-N 435.977 4.013 10 20 IICD C[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc(N2CCOCC2)cc1 754825288 ZIHMUVAGAGOHOM-HNNXBMFYSA-N 432.355 4.262 10 20 IICD COc1cccc(OC)c1Oc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 756431581 CFEHCTXBBQWAFK-CQSZACIVSA-N 425.441 4.356 10 20 IICD COc1ccc([C@@H](CN[C@@H](C)c2cc(Br)c(F)cc2O)N(C)C)cc1OC 756662345 CMFJPRNIVJYZOO-YVEFUNNKSA-N 441.341 4.265 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2)ccc1F 760317563 JCJZOBVEDSEMIH-UHFFFAOYSA-N 431.514 4.288 10 20 IICD C[C@H](c1cccc(Br)c1)N1CC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O 761175347 AGKLTLICKKZULG-CYBMUJFWSA-N 434.309 4.180 10 20 IICD C[C@@H](NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(N(C)C)cc1 773618080 HKJPOCQGWBZDKS-CLOONOSVSA-N 433.552 4.425 10 20 IICD C[C@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cc(Cl)c(Cl)cc1O 774345495 RFIDPKIQBJJDQG-NSHDSACASA-N 426.325 4.461 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2ccccc2OC(F)F)nc1-c1ccccc1 775207112 GXRYDWPAFXPCCF-UHFFFAOYSA-N 439.465 4.171 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c(C)c1C 775208985 PZQIVSHPAVCWKR-UHFFFAOYSA-N 431.539 4.195 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 776515492 TVBHCAITYFLVQO-GHTZIAJQSA-N 428.577 4.040 10 20 IICD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C 780495957 FOZGNFOQLQDADW-NLFFAJNJSA-N 447.620 4.200 10 20 IICD COc1cc(N2CCN(Cc3cncc(OCc4ccccc4)c3)CC2)cc(OC)c1OC 785816126 WTTSXZSBIAPVGJ-UHFFFAOYSA-N 449.551 4.009 10 20 IICD Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 786145713 XNBBRVNZLWNRPJ-UHFFFAOYSA-N 439.453 4.113 10 20 IICD COc1ccc(CC[C@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 787871799 ITKARYZNDAWRQO-IBGZPJMESA-N 438.568 4.200 10 20 IICD COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1OC 790477669 IZLFNEYOBQJZEM-UHFFFAOYSA-N 428.894 4.421 10 20 IICD CCCCn1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C(C)C 792282264 QZDIEYRVCHLVIJ-UHFFFAOYSA-N 427.593 4.248 10 20 IICD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCc1ccc(N2CCCCC2)cc1 795769632 SKXFDNUKBGGUAN-UHFFFAOYSA-N 442.567 4.134 10 20 IICD Cc1cc(C(=O)N(CCO)C2CCSCC2)c(C)n1-c1cccc(Br)c1 798266657 RDVNGBRLUHLIAH-UHFFFAOYSA-N 437.403 4.187 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)cc2Cl)C1 799883706 NBUKUYACXSPJRZ-WBVHZDCISA-N 446.945 4.260 10 20 IICD COc1cc(Br)cc(CN2CCOC[C@@H]2c2nc3ccccc3s2)c1O 800534778 SUYNGTCKCZFECE-OAHLLOKOSA-N 435.343 4.347 10 20 IICD Cc1nn(-c2ccccn2)c(C)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 801723816 AOFRWDDGLZYOAZ-SFHVURJKSA-N 427.499 4.244 10 20 IICD CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(N3CCN(CC)CC3)c(F)c2)c2ccccc21 802301357 HPIQOEBFOSREIG-ISKFKSNPSA-N 439.575 4.239 10 20 IICD Cc1nc(Cn2nnc(NC(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)c2C)no1 803561997 PTTBDEKMEUAHTH-UHFFFAOYSA-N 433.516 4.109 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(F)c(C(F)(F)F)cc1F 806672887 RQQJYJOMOSCONL-UHFFFAOYSA-N 434.748 4.307 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1F 806772920 WZVAEWIRUUKOQR-FUPPJEDESA-N 425.548 4.386 10 20 IICD COc1ccc([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1OC 807602695 JQOLNBAOOGASCY-PKOBYXMFSA-N 428.529 4.170 10 20 IICD O[C@@H](COCc1cccs1)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 836235994 REIWJRCUHWALSD-RBUKOAKNSA-N 430.595 4.460 10 20 IICD Cc1ccccc1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917707611 QBFPYCCCCHGOPK-UHFFFAOYSA-N 434.511 4.480 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1C 917758232 MILPGGATSDRQTE-UHFFFAOYSA-N 430.551 4.224 10 20 IICD C[C@@H](NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920873205 ZWFGBLQONKXRJU-GOSISDBHSA-N 431.540 4.469 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3c(F)cc(F)cc3OC)n2)cc1 1321982732 HHNOHXIZBGLVOX-UHFFFAOYSA-N 426.466 4.296 10 20 IICD Cc1c(F)cccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1785954745 ZSIKDEZYEUQGLA-UHFFFAOYSA-N 435.455 4.002 10 20 IICD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)c[nH]1 1788815133 IRCSTKQAFAZFEN-UHFFFAOYSA-N 439.899 4.449 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N[C@@H]1CCOc2ccccc21 21729047 MVKGAVAXOPFYCC-PZJWPPBQSA-N 449.576 4.461 10 20 IICD CCc1nnsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 104949325 RCRNOOAQFCWDHK-UHFFFAOYSA-N 435.452 4.149 10 20 IICD COc1ccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1Cl 108282686 PUYFJYSXECWCMD-HOTGVXAUSA-N 434.939 4.350 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(n3cc(Cl)cn3)CC2)C1 436021706 JWBZUNWBWWEIEG-UHFFFAOYSA-N 439.991 4.121 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)ccc21 502026429 JVJSBYJBXKDAET-XMMPIXPASA-N 443.547 4.238 10 20 IICD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n(Cc2ccccc2)n1 534644317 CAFFZQLNKKPBEP-UHFFFAOYSA-N 430.533 4.017 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 728978336 PFZVSSXTSRFXKR-WDEREUQCSA-N 428.710 4.461 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1 732431666 BLYMLXYXQUVHHL-UHFFFAOYSA-N 449.599 4.141 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N(C)C)cc2C)cc1Cl 734403214 YFYVEGKPPGNSQO-UHFFFAOYSA-N 429.977 4.012 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 734406249 SQPPEXWIMKLEQC-HXUWFJFHSA-N 434.367 4.289 10 20 IICD C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 737037693 QRZQPEZTTZMYIL-APWZRJJASA-N 429.511 4.014 10 20 IICD O=C1[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1 740013356 FIBDRBOVMHXEKX-IBGZPJMESA-N 428.920 4.134 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)cc1 741074118 WQRGIHIADJJWDX-UHFFFAOYSA-N 444.601 4.045 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2F)C[C@@H](C)O1 741145550 GEBUPRNGLPKZAL-FHAGJXEFSA-N 439.575 4.110 10 20 IICD COc1ccc(-c2noc(CCCC(=O)NCc3ccc(N4CCCCC4)cc3)n2)cc1 742475355 IKFCLYOBJWHXBP-UHFFFAOYSA-N 434.540 4.375 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3n2C)NC(=O)OC(C)(C)C)cc1 742754528 PLEBSOBQJPAEOD-HXUWFJFHSA-N 436.556 4.240 10 20 IICD CCOc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC 743106182 AGHOLPCDPIUEMN-MRXNPFEDSA-N 435.471 4.486 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 745799637 KEVCLDVIHIMCAY-UHFFFAOYSA-N 426.948 4.341 10 20 IICD COc1c(C)cnc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C 745903708 MJRCDNSDAADMCP-QGZVFWFLSA-N 448.514 4.119 10 20 IICD CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 746414249 ADYGYODHXNKBBV-DEOSSOPVSA-N 438.641 4.046 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2F)C[C@H](C)O1 748845940 MWRIDAVAHOCWKY-HOTGVXAUSA-N 449.530 4.032 10 20 IICD CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 749625001 ADZGKRZLMGXBKT-UHFFFAOYSA-N 434.492 4.382 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)CC2)cc1F 753868322 VBZKHHQFFNDLQQ-UHFFFAOYSA-N 426.536 4.425 10 20 IICD C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)cc(Cl)c1O 756384868 PSDWDEDOYRXHLK-JTQLQIEISA-N 433.755 4.030 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(Br)cc2O)cc1 756455680 AVYALSORAXAKJH-AWEZNQCLSA-N 441.391 4.034 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3C[C@@H](O)c3cccs3)cc2)CC1 756692480 UPKPUBPDNGMSAI-FGZHOGPDSA-N 443.613 4.019 10 20 IICD O=C(CCc1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 757272264 HCXGPZUKENYACJ-QHCPKHFHSA-N 449.595 4.470 10 20 IICD COc1cc(N2CCN(CCC(=O)Nc3cccc4ccccc34)CC2)cc(OC)c1OC 759886952 RRBFEMOHNIYVBX-UHFFFAOYSA-N 449.551 4.016 10 20 IICD COc1ccc(COCCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 760376569 HQMIZLYZNAIWPZ-OALUTQOASA-N 444.547 4.061 10 20 IICD Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 762271941 NTQPSWWCALANPK-HSZRJFAPSA-N 425.548 4.450 10 20 IICD O=C1/C(=C\c2cnn(-c3ccc(Br)cc3)c2)SC(=S)N1Cc1ccon1 764412484 SBUZERLNKOJJQE-VIZOYTHASA-N 447.339 4.024 10 20 IICD COc1c([N+](=O)[O-])cc(N2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])c1Br 765547632 CEXNYFDGRDNGFN-GFCCVEGCSA-N 437.250 4.319 10 20 IICD CCOc1cc(C(=O)NCc2cccc(Br)c2O)cc(OCC)c1OCC 765728425 RPWVVRZGIMFSLT-UHFFFAOYSA-N 438.318 4.281 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2C)no1 768913044 UXOATQJAZXDFLR-IBGZPJMESA-N 442.947 4.144 10 20 IICD CCO[C@@H](C)c1nc(CN2CCN(Cc3cccc(Br)c3O)CC2)cs1 769503431 YDEPGJBGCASVJZ-AWEZNQCLSA-N 440.407 4.027 10 20 IICD CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 770755739 HOTAGAIWOULBCL-MKFDZEHOSA-N 447.526 4.154 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 772256314 OTDAMQYHYQGWIK-HXUWFJFHSA-N 433.512 4.090 10 20 IICD Cc1ccc(Sc2ccc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)cc2)c(C)c1 774357725 ZEGGPYJXYIIYEP-UHFFFAOYSA-N 436.533 4.163 10 20 IICD COc1ccc(N2CCN(CCCN[C@@H](c3ccc4nc(O)oc4c3)C(C)C)CC2)cc1 774375367 DQDRYOUOFPEXOL-XMMPIXPASA-N 438.572 4.041 10 20 IICD Cc1cc(Br)cc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1O 775655328 DRITWBAECCFNLG-UHFFFAOYSA-N 436.325 4.388 10 20 IICD C[C@@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(N2CCOCC2)cc1 776010156 ZTRRZFCLUXPNRG-YJYMSZOUSA-N 443.416 4.465 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 777939550 DZRCTQACVOSQLZ-VFNWGFHPSA-N 434.367 4.286 10 20 IICD Cn1nc(C(F)(F)F)c(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl 782154313 KHXUOKGCUMGLJK-ZDUSSCGKSA-N 437.293 4.206 10 20 IICD COCCOC(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 782732009 QYTYWYPMNCJZLN-UHFFFAOYSA-N 428.533 4.390 10 20 IICD Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 783945555 JOAYMWCGVWRODW-UHFFFAOYSA-N 449.558 4.297 10 20 IICD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2O1 785987831 CODZVCDQYKITCA-VWLOTQADSA-N 437.540 4.075 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 789838079 MTGVEQPNPNQCAM-NMEJYPJZSA-N 438.549 4.299 10 20 IICD CCCOc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OC(C)C)c1 790697255 XEGUUBOCVZEAHJ-UHFFFAOYSA-N 444.547 4.293 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 791249942 NAVWYJRKDKWIHC-UHFFFAOYSA-N 448.567 4.491 10 20 IICD CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(C)cc1O 794801975 LKWJKYSKLLABRP-JOCHJYFZSA-N 435.547 4.197 10 20 IICD C[C@H](NCCc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 794841112 LSMNIIWIYQCMLQ-INIZCTEOSA-N 426.454 4.497 10 20 IICD O=S(=O)(NCc1ccco1)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 796382639 KVZYFORBEWBKOO-UHFFFAOYSA-N 427.309 4.383 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 797633737 SCNLXSVWHNUFJD-AWEZNQCLSA-N 427.501 4.148 10 20 IICD Cc1cc(CNCc2cccc(Br)c2O)ccc1I 798497802 CAEMEJGNGSAUAX-UHFFFAOYSA-N 432.099 4.358 10 20 IICD Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800048501 CSUVSSLRYWCZMC-CQSZACIVSA-N 427.936 4.203 10 20 IICD C[C@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)nc3)cc2Cl)C1 800149062 VVPOHIURQJIZJP-AWEZNQCLSA-N 428.385 4.244 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 800709532 HRXBXEBOHSQHBM-UHFFFAOYSA-N 431.964 4.418 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 801548131 OBYCQLRLIWQACO-QGZVFWFLSA-N 442.560 4.282 10 20 IICD CCOCCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802632491 TWBXZAKYBXXNSC-UHFFFAOYSA-N 434.588 4.393 10 20 IICD CN(C)c1ccc([C@H](CN[C@H]2CCO[C@@H](C(F)(F)F)C2)NC(=O)OC(C)(C)C)cc1 806153944 BMJDMTLVUDJBBL-RYQLBKOJSA-N 431.499 4.018 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc4cc(C)cnc34)n2)cc1 861574163 QUGIUHUWEIQSPV-UHFFFAOYSA-N 439.518 4.254 10 20 IICD COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F 914485763 ZGFXVHKFUIRXNN-UHFFFAOYSA-N 435.427 4.076 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 915778269 FTXLILOIAJMFBY-UHFFFAOYSA-N 440.975 4.185 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)cc1 918030726 VRKLMCYNSWZNMJ-UHFFFAOYSA-N 431.920 4.254 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 918047361 GXPTVOMHNBKYFQ-UHFFFAOYSA-N 441.425 4.402 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 918308291 JVPJYSODQQATSQ-UHFFFAOYSA-N 443.503 4.020 10 20 IICD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)cc1 918462183 TUDXUOPBCWHYII-UHFFFAOYSA-N 443.503 4.272 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C)c(S(C)(=O)=O)c3)c2C)cc1 919399920 HUYLIPJNUNGHJT-UHFFFAOYSA-N 439.533 4.154 10 20 IICD CCC(CC)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1 919653751 BMHQLUWMSZKOHW-DENIHFKCSA-N 442.629 4.427 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 919782999 HESFWAHSJGUFMS-UHFFFAOYSA-N 440.931 4.350 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCC[S@](C)=O 1341912576 BRIQJNCVAOOKCF-JJCDCTGGSA-N 441.519 4.250 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nc4ccccc4s3)cc2F)C[C@@H](C)O1 108169724 LAHSZXCEIKGIGN-HUUCEWRRSA-N 445.585 4.458 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1-c1cccc(Cl)c1 108199021 GSPWDGZSHFLCLJ-UHFFFAOYSA-N 426.973 4.317 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)oc2ccc(Br)cc12 108809080 VJBPNVWJSIQRIT-UHFFFAOYSA-N 429.314 4.270 10 20 IICD CSc1ccc2ncnc(N3CC=C(CCN4C(=O)c5ccccc5C4=O)CC3)c2c1 577241846 FYHJEMMXORZTCO-UHFFFAOYSA-N 430.533 4.175 10 20 IICD COCCN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726718171 AAUTXDGICCVTRR-UHFFFAOYSA-N 433.499 4.115 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)cc1Cl 726985578 PHRVIKYRGJPWET-APSNUPSMSA-N 435.910 4.492 10 20 IICD CN(C)c1ccc(CN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC(F)(F)F)cc1 728904772 SYNDLNNRBGILPQ-SEYXRHQNSA-N 446.473 4.010 10 20 IICD COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 730173580 ILYWWZUTINELMT-VKAVYKQESA-N 448.485 4.356 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)CC1 731048361 KNHNBQPOGPEKSX-OAQYLSRUSA-N 435.490 4.475 10 20 IICD COc1cccc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 733732097 WRJAHUZMZFIKTG-UHFFFAOYSA-N 431.358 4.444 10 20 IICD O=C(NCCCSc1nccs1)C1CCN(C(=O)c2cccc3ccccc23)CC1 733973660 UEPSMKOOLYZLJM-UHFFFAOYSA-N 439.606 4.447 10 20 IICD COc1ccnc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 734911273 KKRDJWYTPVBVOI-UHFFFAOYSA-N 443.297 4.300 10 20 IICD C[C@@H]1SCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H]1C 735644421 IUDWZYFVQJCBNH-HAQQTBRTSA-N 426.654 4.082 10 20 IICD COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCc1cccc(OC)c1O 743333747 WOJPJNOHTVMBBS-UHFFFAOYSA-N 436.892 4.340 10 20 IICD COc1ccc([C@@H](C)CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 743554674 KDTKSDRXLIBKHG-GBESFXJTSA-N 443.563 4.441 10 20 IICD O=C(NCc1ccc(OC(F)F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745308177 PMAGHXZXNJWIDA-HNNXBMFYSA-N 441.425 4.358 10 20 IICD C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 747384695 PLMCFEAVWNVYKQ-IWMITWMQSA-N 429.358 4.267 10 20 IICD O=C(Nc1cc(-c2ccccc2)on1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751067389 JQHPIYSMHIWUMF-UHFFFAOYSA-N 441.490 4.162 10 20 IICD O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1c(-c2ccccn2)nc2ccccn12 751306681 XPGUZYZGNPDEJJ-UHFFFAOYSA-N 433.899 4.198 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ncc(C3CCCCC3)s2)C2CC2)cc1 756079887 MGODJXHNXLCCGE-UHFFFAOYSA-N 426.586 4.387 10 20 IICD C[C@@H](N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O 756415121 KRXIMLDZTKEFBK-ACJLOTCBSA-N 437.418 4.334 10 20 IICD C[C@@H](NC1CCN(CC(F)F)CC1)c1cc(Br)cc(Br)c1O 756500981 AGKPUFQSSUDNCG-SECBINFHSA-N 442.142 4.297 10 20 IICD COc1cccc(C2=CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C2)c1 758448941 JGPYHSHQNJJPNG-UHFFFAOYSA-N 443.494 4.374 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1C 763229637 DBXSPOIYDFWXRT-GOSISDBHSA-N 433.516 4.088 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)n2)cc1C 764949270 CZYQGKHNEQCTSX-UHFFFAOYSA-N 439.562 4.063 10 20 IICD CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 765757552 QFLDFBUQEYTCMT-INIZCTEOSA-N 449.345 4.079 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)Nc3c(C)cccc3SC)CC2)cc1 771289147 MCUCHLFTPVTKCW-UHFFFAOYSA-N 428.602 4.059 10 20 IICD CS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1C(F)(F)F 775037142 LCMSUDJAZGKBFO-UHFFFAOYSA-N 428.259 4.411 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 775591505 BKJSMNSTFHLILU-QGZVFWFLSA-N 426.586 4.133 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 775661943 JPHBHAZXYMHCKU-MRXNPFEDSA-N 433.512 4.182 10 20 IICD COc1ccc(NC(=O)C2(NCc3cc(Cl)cc(OC)c3O)CCCC2)cc1OC 779177687 FXLMUPSCPNLWLQ-UHFFFAOYSA-N 434.920 4.113 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 785294875 PEADVJPHXGMLSS-CQSZACIVSA-N 440.883 4.229 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Br)c(Cl)c1 786707225 HCXABHNVYWHRCA-UHFFFAOYSA-N 437.765 4.140 10 20 IICD Oc1nc(/C=C\c2ccc(N3CCOCC3)c(F)c2)nc2sc(Br)cc12 794943745 AADLIRRSADMELN-RQOWECAXSA-N 436.306 4.306 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccccc1Cl)CC1CC1 804968959 LSSNIYKMFAVVPE-UHFFFAOYSA-N 431.939 4.438 10 20 IICD Cc1cccc(Oc2ccccc2CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 804977566 SJFBONVQWFNSHU-UHFFFAOYSA-N 441.531 4.096 10 20 IICD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807483176 FVGDGFJSLWEMIU-INIZCTEOSA-N 432.484 4.307 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCC2)c1 809367627 ANSAMUZNELLUSV-NRFANRHFSA-N 448.611 4.113 10 20 IICD CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812039589 DUUULDOSLXTWRL-SFHVURJKSA-N 439.535 4.302 10 20 IICD Cc1noc(C2CCC(NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)CC2)n1 813864304 RYPAYDGSWGKIFC-GZNCHQMQSA-N 443.592 4.326 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)nc(Cl)c1 916456337 FGEJEFDAAJKBQO-UHFFFAOYSA-N 434.245 4.174 10 20 IICD CCOCCOCc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 916688945 OZAGXDJUJYEABV-UHFFFAOYSA-N 429.586 4.115 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 917170115 XUSNRUMEGBLAEN-GASCZTMLSA-N 440.437 4.153 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)cc2F)C[C@H](C)O1 917707852 CMBGVMJGTMPDMW-GJZGRUSLSA-N 440.437 4.153 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 918235523 RUZFDKCSNUBMNW-UHFFFAOYSA-N 430.543 4.227 10 20 IICD Cc1csc(N2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)n1 918421571 JDFPYIPFXQKQRR-UHFFFAOYSA-N 434.525 4.154 10 20 IICD CN(Cc1c(O)ccc2ccc(O)c(CN(C)C[C@@H]3CCCCO3)c12)C[C@@H]1CCCCO1 918733408 ZVGDPRTUNATRQR-SFTDATJTSA-N 442.600 4.253 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1C(F)(F)F)C1CC1 919791881 FPQXDYKREPQNEK-UHFFFAOYSA-N 433.474 4.416 10 20 IICD Fc1cc(CNCc2csc3ccccc23)ccc1N1CCN(c2ncccn2)CC1 920180260 NTCOFGIMVLCPLE-UHFFFAOYSA-N 433.556 4.447 10 20 IICD COCCOC(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 920234886 FANMSBCSZVYCHG-UHFFFAOYSA-N 426.517 4.144 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)CC2)cc1 1116166167 ORCLAUDIMZCHJN-JOCHJYFZSA-N 445.604 4.254 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1 1319625191 CZLUDZRIFFBUIZ-UHFFFAOYSA-N 444.457 4.252 10 20 IICD Cn1ccnc1C[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 1323606356 XLYYTZZHAAPIDJ-GFCCVEGCSA-N 443.183 4.105 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1 1792300956 AKQYTKDYUMKRKJ-QKAYDNCFSA-N 448.519 4.307 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)CC1 1824072181 ICKLLTZQWAIYPV-BJLQDIEVSA-N 446.975 4.031 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3ccc(Br)s3)CC2)cc1 302960634 GBBBVZVYPKDUFN-UHFFFAOYSA-N 441.416 4.101 10 20 IICD CCn1cc(-c2nn(C)cc2C(=O)N2CCCCc3cc(Br)ccc32)cn1 475813442 VBJSOSRDWQMTOC-UHFFFAOYSA-N 428.334 4.049 10 20 IICD Cc1ccc2c(C3=CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)CC3)c[nH]c2c1 518904518 MVLCWWWQYFWJBT-UHFFFAOYSA-N 436.581 4.340 10 20 IICD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1Oc1ccccc1 725903387 VAQXQHKSUJSQFB-OAHLLOKOSA-N 426.494 4.047 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2F)C[C@@H](C)O1 727708664 ZDLREMPCQBLSAT-GASCZTMLSA-N 429.923 4.433 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 727946623 ARUIMYYOERRAPQ-UHFFFAOYSA-N 431.423 4.127 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 728309215 MCKIPJGNFPIMJC-QPPBQGQZSA-N 439.575 4.388 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Oc2cccnc2)c1 729062121 NSVPOHHQPILESF-ZDUSSCGKSA-N 441.871 4.057 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3C)n2)cc1 731058940 IEABNDXCBATVHO-UHFFFAOYSA-N 443.594 4.296 10 20 IICD O=C(Nc1ccccc1F)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OCO3)C2 732184816 GWAWVWWYGGNBEU-UHFFFAOYSA-N 435.455 4.462 10 20 IICD COc1ccc2ccc(O)c(CN3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)c2c1 732673269 ZWGIAQYHQOJRHM-HSZRJFAPSA-N 426.944 4.059 10 20 IICD COc1ccc(N2CCN(CCNCc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 742700460 KBVWCHLKULESMB-UHFFFAOYSA-N 443.016 4.384 10 20 IICD CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C 744473692 IDYVPRGOIOOICU-OAHLLOKOSA-N 443.455 4.038 10 20 IICD CCOC(=O)c1ccc(CNC(=O)N(CC)Cc2cc(Br)ccc2O)cc1 745765878 WIIDGQQMSYDZIZ-UHFFFAOYSA-N 435.318 4.063 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2ccncc2)cc1 746416269 WYGYNBZJMPUDSA-GOSISDBHSA-N 434.515 4.285 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)cc1 747592309 YARKFJGKGMMRET-UHFFFAOYSA-N 446.979 4.365 10 20 IICD O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)NCc2ccccc2O)c1 748346270 UOXMZUBMRCNJHP-UHFFFAOYSA-N 439.309 4.266 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cccc(I)c1 751306295 RQCIHFHDURUHFA-UHFFFAOYSA-N 440.244 4.253 10 20 IICD COCCN(CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccc(OC)c(OC)c1 751483226 QVZINYYSRXLUHV-KRWDZBQOSA-N 426.513 4.122 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4cc(F)c(F)c(F)c4)no3)cs2)cc1 751935305 APGRKHABGFZTOE-UHFFFAOYSA-N 446.410 4.140 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1 753903995 WPZDRYHNJJNYEF-GOSISDBHSA-N 433.512 4.297 10 20 IICD COc1cc(C)cc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1O 754732670 SZXFWLIZAILFLI-UHFFFAOYSA-N 433.346 4.322 10 20 IICD C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Br)cc(F)c1O 756353329 YRQZXQXIMGCNNO-YJYMSZOUSA-N 441.316 4.157 10 20 IICD CCc1cc(N2CCC[C@H](N[C@@H](C)c3cc(Br)cc(Cl)c3O)C2)ncn1 756710960 HHLPQSPAQUCGAT-WFASDCNBSA-N 439.785 4.480 10 20 IICD O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 759581845 WPMNKWYSIQZKHY-XCBPRYKJSA-N 437.879 4.213 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 759673930 GZVOIPGHGYQSGC-VQTJNVASSA-N 432.561 4.080 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCC(C)(O)CC2)sc(C)c1-c1ccccc1 759769607 ZTXPACMRZDKEKI-UHFFFAOYSA-N 430.570 4.076 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccc(N2CCCCC2)cc1 761095570 HULNORQNMJUJPF-UHFFFAOYSA-N 427.932 4.043 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccc(F)cc2)on1 762168518 RNQJYXSUVKDDMF-UHFFFAOYSA-N 431.414 4.481 10 20 IICD C[C@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 765284474 BTTICDWTBQHBSP-ZWKOTPCHSA-N 433.593 4.478 10 20 IICD CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 765856238 KHHOWECNRIORNF-UHFFFAOYSA-N 440.471 4.469 10 20 IICD Cc1cc(C(=O)CN2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc(OC(F)(F)F)cc1 767766588 PLZOCKBSMPYVMZ-IBGZPJMESA-N 447.461 4.141 10 20 IICD CC1CCN(CCc2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2)CC1 770098936 VRVMCFWXFLBPDO-UHFFFAOYSA-N 436.600 4.119 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(OC(C)(C)C)nc3)cc2F)C[C@@H](C)O1 778621496 ZDDCAHDGIWCAPA-CALCHBBNSA-N 444.551 4.011 10 20 IICD O=C(c1csc(Cc2cccc(F)c2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 780495482 OHNWZYMBMHRWQM-LJQANCHMSA-N 426.513 4.400 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cccc(NS(C)(=O)=O)c1 780773821 CIRWQBSFMKNLAZ-UHFFFAOYSA-N 445.585 4.036 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)nn1-c1ccccc1 782896955 ROQHEXZKXAUQBU-UHFFFAOYSA-N 432.524 4.186 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Cl)cc3-n3cccn3)CC2)cc1 788308055 WVXPBOWDMDSUCF-UHFFFAOYSA-N 425.920 4.325 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)cc1 792879548 MKENRLBPLXZLJQ-UHFFFAOYSA-N 447.620 4.155 10 20 IICD CC[C@@H](NCCCNC(=O)c1cc(OC)ccc1Br)c1ccc(F)cc1O 796757883 BFWUVAPVHRYQGX-GOSISDBHSA-N 439.325 4.163 10 20 IICD CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 797466087 DEXDWHTUVQIMCS-PXNSSMCTSA-N 447.530 4.410 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 806821909 RENZKJNQMGVNAO-UHFFFAOYSA-N 449.016 4.445 10 20 IICD Cc1cc(C(=O)NCc2nc(CN3CCCCC3)no2)c(C)n1-c1ccc(Cl)cc1 808017647 ADVOYKCUQUBHEI-UHFFFAOYSA-N 427.936 4.046 10 20 IICD CCCCNC(=O)NC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772385 VJDHGFSKYMMRQU-DHDCSXOGSA-N 433.580 4.231 10 20 IICD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(N=Nc2ccccc2)cc1 849208503 VWQSCPZYULSUEY-KRWDZBQOSA-N 446.463 4.225 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1cccc([N+](=O)[O-])c1 913360062 HKBNSRIXCKTPNV-LFIBNONCSA-N 448.547 4.381 10 20 IICD C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2)C[C@H](C)O1 914867176 QKJMLBSODRVJQS-PMACEKPBSA-N 448.567 4.197 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918223334 ZSHUTQVIMIIDPO-BSRJHKFKSA-N 441.547 4.495 10 20 IICD CC(=O)c1cc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c(O)c(CN2CCOCC2)c1 919942164 RMGLAEXGVMUNGI-XMMPIXPASA-N 428.548 4.443 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1ccccc1S(=O)(=O)N1CCCCC1 920007479 JYJWWAJYTGCXAJ-UHFFFAOYSA-N 427.570 4.104 10 20 IICD C[C@@H]1CN(Cc2cccc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)CCO1 920409961 JPEAUPBHHWWHKS-HXUWFJFHSA-N 438.572 4.096 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1 1116350937 RRLSQLZTRHAQFX-UHFFFAOYSA-N 439.537 4.263 10 20 IICD CCc1oncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795321273 RVINLUYXYKHPLE-QQFNCUIESA-N 446.551 4.210 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@H]2CCOC2)C3)cc1 1800514726 APPHHZVWASXGBB-INWJIATQSA-N 449.595 4.163 10 20 IICD O=C([C@@H]1CC=CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738334 PUQYGOYDCGJXME-YLJYHZDGSA-N 446.975 4.341 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 40938519 BUKQPDITDZNQID-RGEXLXHISA-N 427.547 4.420 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3cc(F)ccc3F)cc2F)CC1 303353179 YTJMKRWRBTZLLN-MRXNPFEDSA-N 434.506 4.148 10 20 IICD O=C(Cc1ccccc1OC(F)F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 303703203 OKHUDKNNADASFM-UHFFFAOYSA-N 444.400 4.002 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 728952047 KBTRKTQWAFQDCG-QGZVFWFLSA-N 430.508 4.359 10 20 IICD COc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 730823455 LEFOPOOYALOOHA-GASCZTMLSA-N 435.927 4.101 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCN(CCc4ccccc4)C3)cc2)CC1 731049056 ZHBAWZJWKCUMLY-RUZDIDTESA-N 434.628 4.287 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3noc(C)n3)c3ccccc3OC)c2C)cc1 733781009 CIUSNUXXEOWARO-QHCPKHFHSA-N 446.507 4.322 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)cc2F)CC1 737049140 JDBFASSBTLPTGC-RXVVDRJESA-N 442.554 4.194 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OCC(F)(F)F)nc1 742806282 REZRLCUCRPNGPM-AWEZNQCLSA-N 445.388 4.023 10 20 IICD COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC(F)F 742807288 ZHVXCAIRYMNVJC-CYBMUJFWSA-N 442.409 4.297 10 20 IICD NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 749243142 FRVMIWMSYYMIHX-UHFFFAOYSA-N 431.492 4.484 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)c(F)c2)cc1 750874305 IQIPVLMEHKZXJO-GOSISDBHSA-N 435.337 4.476 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(NC(=O)C(C)C)ccc3C)CC2)cc1F 753876231 KTCIOZYPIUSRCB-UHFFFAOYSA-N 428.508 4.091 10 20 IICD C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(Cl)c1O 756710787 DSSVBLWLBMTMLL-MEBBXXQBSA-N 427.701 4.403 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2nnc(C)s2)sc(C)c1-c1ccccc1 759885499 ILQOBNOLIPVGSX-LBPRGKRZSA-N 444.582 4.349 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 761971776 BOHHGRMYAOXEOI-NZROSABFSA-N 442.943 4.326 10 20 IICD CC(=O)c1cc(CNC2(c3ccc(F)cc3F)CCCC2)c(O)c(CN2CCOCC2)c1 764130498 JBVWOJRVQPLRCV-UHFFFAOYSA-N 444.522 4.264 10 20 IICD C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1ccc(N2CCOCC2)cc1 764357083 SQCWUFMBAZAJNS-CQSZACIVSA-N 448.336 4.258 10 20 IICD COc1ccccc1[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 764550803 VYEDMAPDHXOCEI-YADARESESA-N 427.564 4.159 10 20 IICD CCc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 765275347 CNGUNBUOEMUCHT-KRWDZBQOSA-N 425.577 4.417 10 20 IICD CCn1c(/C(Cl)=C\c2cncs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 767721497 LYROQPINDWTGQJ-MHWRWJLKSA-N 436.990 4.424 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 768384959 INWDZDBTILYJIX-HSZRJFAPSA-N 429.605 4.135 10 20 IICD COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 769067286 YUIGIOKOWLMOPR-KOSHJBKYSA-N 435.524 4.275 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)c2)CC1 770152820 KPQITLYWSCVQLB-UHFFFAOYSA-N 442.563 4.357 10 20 IICD COc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)ccc1OCc1ccccc1 771824381 YIBIVKPLKNQXAQ-UHFFFAOYSA-N 431.580 4.316 10 20 IICD CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 772825388 BEWQPHJGCYTISM-UHFFFAOYSA-N 431.495 4.420 10 20 IICD C[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(N2CCOCC2)c(F)c1 772986164 AWWZCPIHKOUPFU-OAHLLOKOSA-N 430.911 4.259 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)c1ccc(N(C)C)cc1 774946648 DOWRURFRFVMHBN-NWDGAFQWSA-N 426.319 4.253 10 20 IICD CC[C@@H](C)n1nc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1C 776220692 YYSULDXKYGNLDM-GFCCVEGCSA-N 432.436 4.098 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c(C)n1-c1ccc(F)cc1 777835670 BZHJUFIUNHMXIO-LJQANCHMSA-N 449.526 4.330 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](CC3CCC3)c3ccccc3)cc2)C1 779337252 YCTVNUJYAZPSCQ-ISKFKSNPSA-N 434.584 4.119 10 20 IICD CN1CCN(c2ccc(CNc3ccc(F)c(NC(=O)Cc4ccccc4)c3)cc2)CC1 779586053 MAVNOAXCPPLDLE-UHFFFAOYSA-N 432.543 4.371 10 20 IICD CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 779857147 KPFCORIQVIYOIX-UHFFFAOYSA-N 433.505 4.003 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)c(OC(F)F)c1 780694219 HRJQVUACQARAMZ-UHFFFAOYSA-N 429.826 4.239 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 783314237 JZRPZLOMNGUZRT-UHFFFAOYSA-N 445.567 4.191 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)NCc4ccccn4)c(Cl)c3)cc2)CC1 789887958 ACXMGNVOMLGUEY-UHFFFAOYSA-N 449.986 4.029 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)C(C)(C)C)CC3)cc2Cl)C1 799867274 GFYSZONHRMKRDI-QGZVFWFLSA-N 449.039 4.413 10 20 IICD COC(=O)CCn1nc(C)c(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C 800526077 BKCFLFLBWLQPJX-INIZCTEOSA-N 432.996 4.243 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 802610062 SPAUFAPRDAPUSY-UHFFFAOYSA-N 443.450 4.309 10 20 IICD C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 808747557 QRZSQNZIOYLUOJ-JLTOFOAXSA-N 429.483 4.119 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cnc(C2OCCO2)s1 809635425 HMJQPUVRDJSUKF-UHFFFAOYSA-N 431.558 4.166 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nc(Sc4ccccc4)ns3)CC2)cc1 809881399 CPRHZJHPXFUJQO-UHFFFAOYSA-N 441.582 4.488 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)C2(C(F)F)CCCC2)NC(=O)OC(C)(C)C)cc1 813465991 XCUFHOBQDWCSMA-QGZVFWFLSA-N 425.520 4.260 10 20 IICD O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2ccc3ccccc3c2O)CC1 816499236 JOFJNAWNRIXOOE-UHFFFAOYSA-N 436.986 4.157 10 20 IICD C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCc2sccc2C1 916619961 HBIMUPNZQKWMBJ-IBGZPJMESA-N 426.630 4.327 10 20 IICD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccc(N2CCSCC2)cc1 916624510 CPHCDRFMROTEKT-UHFFFAOYSA-N 438.597 4.106 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 918307303 SCXKUTFMZTZEOW-UHFFFAOYSA-N 426.517 4.002 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(Cl)cc2cccnc12 918309155 DLPWJBJLGIEYCW-UHFFFAOYSA-N 436.943 4.476 10 20 IICD CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920881273 SRGCVPVSXBYXOF-OAHLLOKOSA-N 438.553 4.095 10 20 IICD O=C1C[C@@H](c2ccccc2)N(Cc2c(O)ccc3cc(Br)ccc23)CCN1 921031075 XQRAQLCROQKZPY-FQEVSTJZSA-N 425.326 4.371 10 20 IICD C[C@H]1C[C@H](C)CN(Cc2ccc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)C1 1116017131 HHLGGUJLZONOGJ-VXKWHMMOSA-N 438.635 4.345 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 97044414 SVNZSIYVYQZGIE-RPBOFIJWSA-N 438.568 4.132 10 20 IICD Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 108289423 KRKTWVOOWDNZDY-GJZGRUSLSA-N 443.544 4.323 10 20 IICD Cc1nn(C)c(OCC(F)(F)F)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 726607868 FLKZCHCDCOGCLP-UHFFFAOYSA-N 448.436 4.030 10 20 IICD COCCOc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726694645 ADURLGUGMJFDLQ-UHFFFAOYSA-N 435.471 4.104 10 20 IICD COc1cccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1OC(F)F 727176668 NVWYPCRYOFEMGC-NTEUORMPSA-N 430.542 4.086 10 20 IICD O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1CCc1cccnc1 727864028 QDGODIZZTSNOGV-FRKPEAEDSA-N 449.351 4.017 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1 730078196 LQZCXFXGRUHKPX-UHFFFAOYSA-N 449.461 4.245 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1 731037990 ASEHGUSNYSRHFH-UHFFFAOYSA-N 429.405 4.225 10 20 IICD O=C(Cc1c[nH]c2ccc(F)cc12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 734319756 NEDLFJASFKKQPM-UHFFFAOYSA-N 435.421 4.021 10 20 IICD CCc1ocnc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 740272159 YHKRNMGJQLLIIU-UHFFFAOYSA-N 431.286 4.447 10 20 IICD C[C@H](NC(=O)Nc1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1 741396877 DFMBMRHBZIILFN-INIZCTEOSA-N 425.920 4.245 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1N1CCCCC1 742806208 QKGCHLFTXLWPNY-KRWDZBQOSA-N 430.499 4.072 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(OC(F)F)cc1C 743283183 XKXSHBWDLIXNPH-CXUHLZMHSA-N 434.489 4.410 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1O 743391434 USAYGYQEACWYSF-UHFFFAOYSA-N 448.475 4.280 10 20 IICD C[C@@H](NCc1ccc(OCCCN(C)C)cc1)c1cc(Br)c(F)cc1O 756537037 XLSAVJGAIGHUQX-CQSZACIVSA-N 425.342 4.475 10 20 IICD CCOc1cc(C)ccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 756969324 JMRIUISEAQMHSY-UHFFFAOYSA-N 433.499 4.463 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3COc4ccc(Cl)cc43)cc2F)C[C@@H](C)O1 762061734 QWQROLXTBAENHU-BIENJYKASA-N 433.911 4.026 10 20 IICD Fc1cc(CN[C@H]2CCc3ccc(Cl)cc32)ccc1N1CCN(c2ncccn2)CC1 763396376 SETAEJVBJPWNAU-QFIPXVFZSA-N 437.950 4.373 10 20 IICD CN(C)c1ccc(CN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)C2CC2)cc1 764773748 JKEYHWYBFBNWDM-UHFFFAOYSA-N 432.446 4.175 10 20 IICD CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CCC2 765228425 GKNFKTLDLJXZQH-CBGDNZLLSA-N 443.567 4.094 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768518754 FDLHYYSXWBTSPM-GOSISDBHSA-N 449.473 4.134 10 20 IICD CN1CCC(N2CC[C@H](N(C)C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)C2)CC1 772692742 KQRNWXIQRZNDII-QHCPKHFHSA-N 448.615 4.409 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 772799413 ZWECKSUISJCBQF-CYBMUJFWSA-N 436.306 4.220 10 20 IICD Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773740741 PLGDPDYUQZOLKK-LBPRGKRZSA-N 428.872 4.266 10 20 IICD C[C@H](NC(=O)CCCCCn1c(S)nc2ccccc2c1=O)c1ccc(N(C)C)cc1 775406320 WYBBEGKIXQMALT-KRWDZBQOSA-N 438.597 4.189 10 20 IICD Cc1cc(C(=O)CN2CCc3nnc(O)cc3C2)c(C)n1-c1ccc(Cl)c(Cl)c1 775776250 FIYDTELVEXEPBI-UHFFFAOYSA-N 431.323 4.138 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(OC)c(Br)c(OC)c2)c1 776024483 FAJADPWBVBPNDQ-JTQLQIEISA-N 425.279 4.063 10 20 IICD CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c12 782512237 KWWRPLMUIGVNAC-QGZVFWFLSA-N 443.494 4.496 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2cccc(N3CCCC3=O)c2)cc1 783281145 YQVICWGWKFAEDX-UHFFFAOYSA-N 433.474 4.013 10 20 IICD COc1cc(N2CCN(Cc3ccc(Cl)nc3C(F)(F)F)CC2)cc(OC)c1OC 787305252 YSUZSPJRDIRLIC-UHFFFAOYSA-N 445.869 4.102 10 20 IICD CO[C@@H]1CCOc2c(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cccc21 790960766 UTIKVUMZRQGFBB-JOCHJYFZSA-N 438.524 4.162 10 20 IICD Cc1nc2c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)cccc2o1 792200988 ZBDTUDBFLOQMCA-IBGZPJMESA-N 438.528 4.198 10 20 IICD CSc1ccc(CCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 798216996 ZCJZJGHRIRXZCA-UHFFFAOYSA-N 446.484 4.065 10 20 IICD CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 799124663 ZFWLDJWJTCGCDC-UHFFFAOYSA-N 440.237 4.373 10 20 IICD Cc1ccc(CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]2CCCO2)c(Br)c1 799141778 BLXFINBRQMVRJQ-DYESRHJHSA-N 448.357 4.070 10 20 IICD CCOCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800637232 VLHVXZXGZZNKEQ-QGZVFWFLSA-N 443.975 4.368 10 20 IICD C[C@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 800996191 OIGTWEMRYIZOKX-HKUYNNGSSA-N 428.964 4.134 10 20 IICD COCCn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802507686 MTZKOFQVEKURFO-UHFFFAOYSA-N 435.572 4.227 10 20 IICD CN1CCN(c2ccc(/C=C/c3cc(C(=O)O)nc(-c4ccc(Cl)cc4)n3)cc2)CC1 806577730 YOXLPRWUNNZMGS-XNWCZRBMSA-N 434.927 4.417 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)ccc21 809231277 KLOFRXMMPZNXKR-UHFFFAOYSA-N 428.496 4.261 10 20 IICD CC(C)OCc1nc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)no1 812649685 ZSEXHPOVLNRXOR-KRWDZBQOSA-N 441.532 4.127 10 20 IICD Cc1sc(NC(=O)[C@@H]2CCc3nnn(C)c3C2)c(C(=O)OC(C)C)c1-c1ccccc1 812874458 GEPUXDLAKDDMCH-MRXNPFEDSA-N 438.553 4.161 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(CCC2CCOCC2)no1 815721344 ICAPCMOHAAXULI-DTQAZKPQSA-N 449.623 4.324 10 20 IICD Cc1cc(Br)cc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1O 816668818 YORXPCYAFWLJGK-UHFFFAOYSA-N 432.767 4.070 10 20 IICD CCOC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCC1 818270190 DTJYFUGEKCKCLY-SSZFMOIBSA-N 438.640 4.195 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)c2[N+](=O)[O-] 823716841 SUFNVLJDKGAJAF-ARFHVFGLSA-N 432.476 4.459 10 20 IICD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(N2CCCC2)cc1 917117123 JKNHPCYGQMZWEG-UHFFFAOYSA-N 436.434 4.332 10 20 IICD COc1cccc(OC)c1OC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 917384996 KRNVMLVFLNOCRD-UHFFFAOYSA-N 435.524 4.190 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCOc3ccc(F)cc3)cc2F)C[C@H](C)O1 918219911 QSEAVIWHRFHUEQ-ROUUACIJSA-N 447.526 4.189 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 919653730 ZWBASSGTCDHFDG-NRFANRHFSA-N 426.586 4.422 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 919749106 IDVAZVLWDOFAEO-UHFFFAOYSA-N 439.512 4.479 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 919774780 DWBIMJJXVWZQOF-GOSISDBHSA-N 445.947 4.399 10 20 IICD CCOc1ccccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 919854726 SHIQOKVRZFKZGL-QGOAFFKASA-N 446.619 4.445 10 20 IICD COCCOc1c(Cl)cccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 921238125 MDQKFQKZSYSZMO-QGZVFWFLSA-N 434.920 4.284 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)cc1 1319492212 XROMDZMLWCEXMJ-UHFFFAOYSA-N 439.921 4.040 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cc1 1320389679 ZJFHGMAVMZCVIQ-UHFFFAOYSA-N 435.549 4.362 10 20 IICD CN1CCN(c2ccc(CNCC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2F)CC1 1323805632 CEGMEEOBOOWXEL-OAQYLSRUSA-N 426.363 4.098 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)C(C)C)[C@@H]2c2cccnc2)cc1 1806265118 HSLCBJUDIIIJSZ-ZCYQVOJMSA-N 444.579 4.465 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCC(F)(F)C3)C2)cc1 1841015587 QWVYNAIMZVKYTD-FQEVSTJZSA-N 441.522 4.347 10 20 IICD O=C(COC(=O)c1ccc(Cl)cc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 18807379 YFUZAHDNEOTIQI-UHFFFAOYSA-N 437.810 4.050 10 20 IICD O=C(Nc1ccn(Cc2ccccc2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695780 NNIIBKUVUNMXAB-UHFFFAOYSA-N 441.482 4.323 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccc(OC4CCCCC4)nc3)CC2)cc1 726713364 RVCSITNUSPOIGE-UHFFFAOYSA-N 438.572 4.270 10 20 IICD CCC[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 727229736 PVJGKBNODFLUFG-NRFANRHFSA-N 442.629 4.099 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3nc(C(C)(C)C)cs3)cc2F)C[C@H](C)O1 729506804 RTETWPIWFWCNKO-HOTGVXAUSA-N 448.608 4.235 10 20 IICD COc1ccc(N2CCCN(C(=O)c3nn(-c4ccc(C)cc4C)c4c3CCC4)CC2)cc1 730173437 XAAYCORSPDRMBW-UHFFFAOYSA-N 444.579 4.339 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OCc1cccs1 730481236 HYWYELZYQFQGNT-UHFFFAOYSA-N 426.513 4.233 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 731282405 PNQXQSRMTHRKCS-UHFFFAOYSA-N 447.539 4.231 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(Br)ccc1OC(F)F 734525435 MXAVLMATBOWMKY-UHFFFAOYSA-N 442.304 4.424 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc2ccccc2c1C(F)(F)F 736195175 BYTIZMFKIPHZQL-UHFFFAOYSA-N 443.469 4.392 10 20 IICD CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 736381051 UOHNXCMAHYOXSK-YVHKJVDXSA-N 431.964 4.313 10 20 IICD CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 739562933 GLOWUUJOTMTSBF-UHFFFAOYSA-N 433.455 4.259 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c[nH]1 743045602 QAMALGMWBJHHMI-UHFFFAOYSA-N 439.518 4.393 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCCC2=O)c1 743082729 VBYZJERIJZAAPW-UHFFFAOYSA-N 432.318 4.336 10 20 IICD COCCOc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743122675 BPTQXGLPSBJWIB-MRXNPFEDSA-N 435.471 4.104 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(Br)c(OC)c3)CC2)cc1 746739294 GTTMKVVDRJYPFS-UHFFFAOYSA-N 434.334 4.257 10 20 IICD C[C@H](Nc1cccc2c1CCN(CC(C)(C)O)C2)c1ccc(N2CCOCC2)cc1Cl 753757121 UWYPIDNMOFDOEB-SFHVURJKSA-N 444.019 4.479 10 20 IICD Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 756055722 HONMWRYAIXLXQT-MRXNPFEDSA-N 434.581 4.453 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2F)C[C@@H](C)O1 758796115 PWPHCQBNJRQGOJ-VXGBXAGGSA-N 445.844 4.437 10 20 IICD COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1 760309160 PQOUNVRYBFRKRU-CLOONOSVSA-N 446.551 4.077 10 20 IICD COc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(C(F)(F)F)c1 761209197 SETWFBKQTALXQP-UHFFFAOYSA-N 428.794 4.037 10 20 IICD COC(=O)c1sc2nc(/C(Cl)=C/C3=S=C(C(F)(F)F)C=C3)nc(O)c2c1C 761476635 JCTYIMSANPUJOI-YVMONPNESA-N 434.848 4.282 10 20 IICD COc1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(Br)s1 764533781 LNIKRRGBGDEVOY-UHFFFAOYSA-N 425.329 4.382 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 766316830 BTAORDQTXPXPFU-XZOQPEGZSA-N 445.007 4.009 10 20 IICD CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)ccc2NC1=O 766380219 HKASTTZZWSTGAR-MCFFVMPBSA-N 427.520 4.184 10 20 IICD COc1cccc([C@@H](NCc2ccc(N3CCN(C)CC3)cc2)c2cc(F)ccc2OC)c1 771843369 PECTZRUOWDTIDO-HHHXNRCGSA-N 449.570 4.474 10 20 IICD C[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cc(F)c(Cl)cc1Cl 774961978 VFANLTWAFYTZSZ-VIFPVBQESA-N 436.361 4.065 10 20 IICD Cc1cc(Br)cc([C@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1O 779022141 MTSJYRBHMNCBIQ-UWJYYQICSA-N 432.406 4.102 10 20 IICD COc1cc(Br)ccc1CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 782250654 WCCOZMLAUNBYOR-INIZCTEOSA-N 447.373 4.104 10 20 IICD CCOc1cccc2cc([C@H](C)NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)oc12 785536926 DDRMZJJXWTVOOT-KRWDZBQOSA-N 437.540 4.123 10 20 IICD CC(C)(NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCOCC1 786343973 GYNPVFCCSXYTFY-SSZFMOIBSA-N 438.640 4.051 10 20 IICD CN(C)c1ccc(CNc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c(C(F)(F)F)c1 792866759 BTXVBSJRSISLPE-GOSISDBHSA-N 434.506 4.081 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)c1 794859024 FLRFYSMRGDCTOV-YBFXNURJSA-N 441.509 4.434 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Cl)cc1I 797636174 JWBLPWZNBWZBTA-SECBINFHSA-N 446.672 4.109 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c(O)c1 797665660 BFYATOLKXAVKLN-UHFFFAOYSA-N 435.303 4.004 10 20 IICD COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C 798027369 NJWMWEBGBISOKU-GJZGRUSLSA-N 444.507 4.248 10 20 IICD CSc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 799182956 VIOMMVGRNFDWFN-BZSNNMDCSA-N 445.604 4.128 10 20 IICD CC(C)c1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 800636999 SAWMWCLXDLCIJN-AWEZNQCLSA-N 434.993 4.411 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC2(CCCC2)C1 802459168 STYYKIQPVFSFPP-UHFFFAOYSA-N 435.572 4.148 10 20 IICD CCC(CC)[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 808071110 MYYDJZVGQSOIJR-NZQKXSOJSA-N 430.589 4.154 10 20 IICD C[C@@H](Cc1ccc(F)cc1Br)NCc1ccc(N2CCC(O)CC2)c(F)c1 808382929 PJOKFZCMMLNOSG-AWEZNQCLSA-N 439.344 4.409 10 20 IICD CN(C)c1ccc(CNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)cc1 814377543 WQGLQFVPQOJWBV-UHFFFAOYSA-N 449.364 4.310 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)c1 818348896 IAKBVGFQEMVCQC-KRWDZBQOSA-N 436.961 4.045 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc2c(s1)CCC2 914445363 WVUCLDBQIPDNQO-GXDHUFHOSA-N 435.621 4.313 10 20 IICD CC(C)C(=O)Nc1cccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 914787293 COBWGTWBMYBYPL-UHFFFAOYSA-N 441.487 4.107 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 915930711 GUSVPAGRIYGDDA-JOCHJYFZSA-N 434.540 4.086 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 916503134 TZQQJKIMLGENJP-UHFFFAOYSA-N 427.504 4.263 10 20 IICD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 917117905 ZOZBPWRUMLHKDG-JOCHJYFZSA-N 427.976 4.401 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 918220379 CQOXQCFIQLWMDQ-OAQYLSRUSA-N 431.939 4.487 10 20 IICD CC(=O)NCc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 919521866 WMNAPTHNVUFEED-UHFFFAOYSA-N 438.911 4.423 10 20 IICD COc1ccc(N2CCCN(C(=O)CCOc3ccc(C)cc3Br)CC2)cc1 921282888 SCXDLINKIAFJSC-UHFFFAOYSA-N 447.373 4.274 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc(S)n1-c1ccccc1 726565371 FDFCKJXHFWKLTF-UHFFFAOYSA-N 444.507 4.161 10 20 IICD CCCCOc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC 726628370 WSKPQBOQTHTLKI-CPNJWEJPSA-N 442.562 4.379 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C3CCOCC3)c2C)cc1C 729937089 PNKDQCZXHLTARB-UHFFFAOYSA-N 425.558 4.024 10 20 IICD COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 730482648 UKVMFCYPINOKKQ-QRVBRYPASA-N 428.548 4.333 10 20 IICD CN(c1ccc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)cc1)C1CCCCC1 730589439 UICZURWTPRDMOS-UHFFFAOYSA-N 431.939 4.294 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NS(=O)(=O)C[C@@H]1CCOC1 731671305 AHJRSINJYRGXHH-BEFAXECRSA-N 442.503 4.138 10 20 IICD COc1c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)nn1C 732850230 CQSUUDKFIZKUHI-UHFFFAOYSA-N 449.429 4.203 10 20 IICD COCC[S@@](=O)Cc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 735175273 DGJJAPIPDHBZPQ-WJOKGBTCSA-N 443.613 4.140 10 20 IICD CN(C)C(=O)C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)c2ccc(Cl)cc21 745788662 PLQIKIZIPADBHX-SFHVURJKSA-N 440.975 4.014 10 20 IICD C[C@@H](NC(=O)c1cccc(CSc2nccn2C)c1)c1ccc(N2CCOCC2)cc1 749172371 CAODBLKOOFHWDQ-GOSISDBHSA-N 436.581 4.040 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1C 750104310 FVIJCLMLVCRXIE-GOSISDBHSA-N 433.516 4.088 10 20 IICD CN(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCCc2ccccc21 751937604 RTHNSINQHVOLDF-NRFANRHFSA-N 435.549 4.009 10 20 IICD CCOC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 752828763 AHCJJQDTFMIGIA-VXKWHMMOSA-N 449.599 4.252 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3cccc(C)c3)CC2)cc1F 753740107 NIVSUPTVOHHROW-UHFFFAOYSA-N 447.510 4.357 10 20 IICD Cc1nccn1C[C@@H](C)CN[C@H](C)c1cc(Br)cc(Br)c1O 756534075 KJDJWNZUGNRFQE-WDEREUQCSA-N 431.172 4.409 10 20 IICD C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O 756758068 DSSWJMUSWBIMJQ-QPUJVOFHSA-N 429.664 4.012 10 20 IICD CN(c1ccc(CNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1)C1CCCCC1 765718816 NTDNZPGKHGAZHU-UHFFFAOYSA-N 434.515 4.071 10 20 IICD CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O 765728688 KEDVVBAQRRZOOE-UHFFFAOYSA-N 429.355 4.102 10 20 IICD CCCN(Cc1ccccc1O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 766317387 CXSRRGOLMGCIFA-FCHUYYIVSA-N 431.964 4.039 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1O 766459697 PZUAPRIJXMZXNG-UHFFFAOYSA-N 427.892 4.475 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(SC)c(Cl)c3)CC2)cc1 766481510 ANKYVXXUEHVPJJ-UHFFFAOYSA-N 426.991 4.018 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)n1-c1cccc(Br)c1 769365992 PWGKLCZPMIHXAR-GOSISDBHSA-N 447.373 4.315 10 20 IICD COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 773009886 PRFSLVNOMBDNMV-FDDCHVKYSA-N 425.548 4.276 10 20 IICD C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C)c4ccc(N(C)C)cc4)nc(O)c23)C1 773994869 PKWWFNBATSFDRZ-GJZGRUSLSA-N 438.597 4.398 10 20 IICD O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](NCc2cccc(Br)c2O)C1 775148110 XXTLLWHCCAWBKG-HZPDHXFCSA-N 443.341 4.242 10 20 IICD CCn1c(O)nc2cc(C(=O)N(Cc3ccccc3O)[C@H](C)c3ccccc3)ccc2c1=O 777826043 GEDNKRZUTMHFPG-QGZVFWFLSA-N 443.503 4.231 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 780275337 UOZIWXZZWPXHDS-OFVILXPXSA-N 427.589 4.282 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SCc3ccco3)c2)CC1 781270972 SCEFUNKNAKTCNR-UHFFFAOYSA-N 435.549 4.493 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Br)cc2F)cc1 784107270 CPRZWBDZWDZOGH-UHFFFAOYSA-N 434.309 4.332 10 20 IICD C[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(Br)ccc1O 786980338 RKCKUJHQNCPJOE-SGTLLEGYSA-N 439.300 4.275 10 20 IICD COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cc(Cl)ccc3OC)C2=O)cc1 792569015 QYRAPICLHZUICV-MFOYZWKCSA-N 449.937 4.306 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 792881296 GIFYFALMDBKULP-JTHBVZDNSA-N 425.548 4.170 10 20 IICD COc1ccc(CNC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(O)c1 797626086 NINGULNFWQXWGM-UHFFFAOYSA-N 427.501 4.016 10 20 IICD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(Br)c(F)cc1O 798940058 QKZFPZYHGGWRHJ-BLVKFPJESA-N 437.309 4.385 10 20 IICD C[C@@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@H](CO)C4)ncn3)cc2Cl)C1 799963338 JUNYOAMFNFNWFR-MJGOQNOKSA-N 429.996 4.187 10 20 IICD CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801938792 LVNQAUGGSWMZRO-UHFFFAOYSA-N 447.461 4.041 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(OCC(=O)N2CCCC2)c1 806187832 UWCZHICJSPZTBU-UHFFFAOYSA-N 438.311 4.022 10 20 IICD C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 808747558 QRZSQNZIOYLUOJ-VBKZILBWSA-N 429.483 4.119 10 20 IICD CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 809236326 MBVUETDCHFKANA-DENIHFKCSA-N 443.613 4.055 10 20 IICD C[C@H](NC(=N)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1Cl 849069509 OYBWYCASYRJQKM-HOCLYGCPSA-N 448.398 4.070 10 20 IICD O=S(=O)(NCC(F)(F)F)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 863994789 KSAUFOJLENBRPV-UHFFFAOYSA-N 427.492 4.130 10 20 IICD O=C(NCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N=Nc2ccccc2)cc1 915735422 LZTDNNZYLOQADK-UHFFFAOYSA-N 432.440 4.177 10 20 IICD O=C(CSc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456915 PSROGHYVEFGLCW-UHFFFAOYSA-N 428.451 4.090 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCCc3cccc4cccnc34)cc2F)C[C@@H](C)O1 918199567 HXQNMAZGUSSXAQ-HDICACEKSA-N 436.531 4.029 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c(C)n1-c1ccc(Cl)cc1 919520906 KXNJFMLBXDOABY-ZDUSSCGKSA-N 445.928 4.092 10 20 IICD CC(C)N(CCc1ccccc1)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1320750630 OAUNUNCOQGOLEU-NHCUHLMSSA-N 441.591 4.009 10 20 IICD CC(C)c1noc(CCN[C@H](C)c2cc(Br)cc(Br)c2O)n1 1323829192 IBGQTYOPHFVYPO-SECBINFHSA-N 433.144 4.317 10 20 IICD CCOCc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1329988133 AEHINQCUEBEXRT-MRXNPFEDSA-N 428.488 4.438 10 20 IICD Fc1cc(CN[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1N1CCOCC1 237863735 VIOPFRBEHOIPCV-HXUWFJFHSA-N 437.481 4.045 10 20 IICD Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(C)n1-c1ccccn1 303413242 RQOIHJCTDCRWDI-DEOSSOPVSA-N 438.531 4.469 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccsc1 303665407 BZYLQXQXVRFFCR-NTUHNPAUSA-N 439.381 4.351 10 20 IICD CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 482926924 DLEDZVWGKLSQTK-QGZVFWFLSA-N 435.568 4.363 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(Cl)c3SC(F)F)ccc21 726294504 YLIDCVNMOKLNSK-UHFFFAOYSA-N 439.915 4.292 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCc1ccc(Cl)cc1Cl 726450595 WOITUWHZOAHPJB-UHFFFAOYSA-N 438.424 4.379 10 20 IICD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(N=Nc2ccccc2)cc1 727864911 SVMRBFAFTTZHPN-UHFFFAOYSA-N 431.408 4.374 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 728203258 QZPLRGUMGAWJFH-UHFFFAOYSA-N 432.568 4.272 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1F 728760278 VCFRSGOERDJPAB-UHFFFAOYSA-N 427.426 4.092 10 20 IICD COc1ccc(N2CCCN(C(=O)NC[C@@H](C)CSc3ccccc3OC)CC2)cc1 728958115 SRROMZFIPSCARN-LJQANCHMSA-N 443.613 4.354 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 729052030 DJWQFLFXEYKRJD-CQSZACIVSA-N 435.471 4.031 10 20 IICD CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)CC1 731039121 VAQNTHVNVGZIHH-UHFFFAOYSA-N 443.613 4.386 10 20 IICD COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731131182 GUHWJDABUXEFOZ-UHFFFAOYSA-N 437.584 4.484 10 20 IICD O=C(CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1Cc2ccccc2C1 732474501 PPUVICYPFBCVER-UHFFFAOYSA-N 433.508 4.020 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br 735442321 IBBQBTBFRXMGSD-UHFFFAOYSA-N 431.309 4.078 10 20 IICD Cc1oc2c(CN3CC[S@](=O)[C@H](C)[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1Cl 736601892 YWHGNUMOKMHQBK-QOVGUPBBSA-N 445.968 4.469 10 20 IICD O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@@H]1CCc2ccccc2C1 743283779 DYMYDZBNHPMDGU-YEWRBRKMSA-N 436.537 4.165 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 746133195 FBDYMEQAMXDORQ-ZACQAIPSSA-N 430.495 4.104 10 20 IICD CC1(C)Oc2ccc(NC(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)cc2O1 748028201 YJMNCASGAUCCLW-UHFFFAOYSA-N 446.506 4.014 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(N3CCCNC3=O)CC2)cc1 748934010 IFQMTOKEXIVUHC-UHFFFAOYSA-N 434.544 4.188 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCc2ccccc21 751932242 YBBNEBVKIPMYPW-QHCPKHFHSA-N 449.576 4.477 10 20 IICD O=C(Nc1ncc(C2CCCCC2)s1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 756076531 NAZCJIIVLXNERG-SFHVURJKSA-N 443.569 4.043 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](c3nccn3C)C2)c(C)n1-c1cccc(Br)c1 756130486 IUVCTWHXEYOFKP-MRXNPFEDSA-N 427.346 4.220 10 20 IICD Cc1cc(C)n(CCCN[C@H](C)c2cc(Br)cc(Br)c2O)n1 756370488 JDUTXOIKLNSUBY-GFCCVEGCSA-N 431.172 4.471 10 20 IICD C[C@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cc(Br)c(F)cc1O 756462685 YZDMVCYRQHICRF-CABCVRRESA-N 437.353 4.365 10 20 IICD CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2cc(Cl)ccc2O)CC1 756770152 UAIKCZCJNKCBMT-QGZVFWFLSA-N 437.005 4.458 10 20 IICD Cc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1Br 756935609 BEFVLRLUGALFAO-GASCZTMLSA-N 435.337 4.440 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 759021816 ADBKBIORXXWCSE-HXUWFJFHSA-N 436.600 4.427 10 20 IICD COc1cc(N2CCN(C(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)cc(OC)c1OC 759224178 CHFNTFJMOYLNOA-UHFFFAOYSA-N 446.975 4.283 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCSc2ccncc21 759472624 JPCKQVWDSJMIHB-WJDWOHSUSA-N 447.632 4.263 10 20 IICD CN(c1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 762226738 WJJQVEOOOSVWRJ-UHFFFAOYSA-N 440.563 4.487 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 762964805 RFNRPKADLFEBGF-UHFFFAOYSA-N 427.907 4.467 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)n1-c1nccs1 768915119 JNVANLZPMFTSPY-GOSISDBHSA-N 444.988 4.304 10 20 IICD C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O 769291223 KUBLKVXRYJDTLF-AWEZNQCLSA-N 429.314 4.018 10 20 IICD C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(N2CCOCC2)c(F)c1 773133089 QDDTXMVYEBJEGL-YRUKQIKQSA-N 447.982 4.038 10 20 IICD Cc1oc2c(CN3CCN(C(=O)NC(C)(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 774556865 HICCBFLMWSJJPN-UHFFFAOYSA-N 449.551 4.100 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl 774946646 DOWRURFRFVMHBN-NEPJUHHUSA-N 426.319 4.253 10 20 IICD CC(C)Oc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 779149086 JUYNYPGRLXLRBS-UHFFFAOYSA-N 427.520 4.200 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(N)cc1 783485887 LERXLTWBTDQJOR-QGZVFWFLSA-N 442.519 4.350 10 20 IICD Cn1ccnc1Sc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784058628 XYRWXTVJVVEZQL-UHFFFAOYSA-N 449.580 4.458 10 20 IICD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)n1 784108794 MGOZDBBETQFESX-UHFFFAOYSA-N 431.540 4.233 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc([C@@H]4CCCO4)nn3C)cc2Cl)C1 800564408 AZRSCQFSJAXRAL-QRWLVFNGSA-N 431.968 4.483 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 801610255 WRAACELHSIPTDD-UHFFFAOYSA-N 433.574 4.303 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 802610670 KYHSWHXJDCMBSV-UHFFFAOYSA-N 439.556 4.453 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 804400167 OKVFIMIDQQBBIX-UHFFFAOYSA-N 436.474 4.244 10 20 IICD CC(C)(C)c1csc(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1 804868184 ZIJKMWJEXZBEIA-UHFFFAOYSA-N 443.613 4.166 10 20 IICD O=C(Nc1csc(-c2ccccc2)n1)C(=O)N(Cc1ccco1)Cc1ccccc1O 806844380 OSUPIWNGVXYPAX-UHFFFAOYSA-N 433.489 4.276 10 20 IICD COc1cc(CN(Cc2ccc(N(C)C)cc2)Cc2ccco2)c([N+](=O)[O-])cc1OC 809731570 KIXYYQRKFDQZHH-UHFFFAOYSA-N 425.485 4.473 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4ccccn4)cc3)cc2)CC1 810362915 ZNMYGJHHEUZHKH-UHFFFAOYSA-N 428.536 4.240 10 20 IICD Cc1nc(Br)sc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 813398901 DXSNGROLAHODGR-UHFFFAOYSA-N 436.297 4.485 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)sc2n1 815180806 CZFDNMLCJWKFBY-BBRMVZONSA-N 427.501 4.153 10 20 IICD Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c(C)n1-c1ccccn1 914849155 HGBSTECPJMCIHG-UHFFFAOYSA-N 427.508 4.126 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)CC2)cc1 915324406 PIINNEWWOBTJCH-UHFFFAOYSA-N 426.517 4.236 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1 915343440 LDSKJSQPBIYEJD-UHFFFAOYSA-N 438.572 4.198 10 20 IICD O=C1/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccnc1 915852324 QVHNDGYULBOYNV-PDGQHHTCSA-N 426.523 4.386 10 20 IICD Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2c1C 917365114 VCKOEGHLBSQNIV-QGZVFWFLSA-N 443.594 4.314 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c2cccnc12 917847935 UXXGPKQJSSPCAD-UHFFFAOYSA-N 433.461 4.446 10 20 IICD CC(C)(C)c1ccc(OCCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918187181 XMBIRXMTBSFNHM-UHFFFAOYSA-N 439.600 4.071 10 20 IICD CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(OC)c(OC)c1 921061385 DRBZRTZDHMXECR-FQEVSTJZSA-N 440.540 4.055 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cc(Br)cn(C)c2=O)c1 1322374407 MQKFTHZFEWMGQN-UHFFFAOYSA-N 434.721 4.461 10 20 IICD O=C(NCc1ccccc1)/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1 20859790 NBXWKBZTVHQYCV-PTGBLXJZSA-N 438.531 4.257 10 20 IICD Cc1oc2c(CN(C)CC(=O)NC(C)C)c(O)ccc2c(=O)c1-c1ccccc1Cl 21995458 RTQORFXKKUMTHO-UHFFFAOYSA-N 428.916 4.084 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1F 303341887 LROPPDAPHYLVAG-UHFFFAOYSA-N 447.461 4.092 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cn2ccc(Br)cc2n1 578105030 GSGVQTLVFKVWKG-YRNVUSSQSA-N 427.689 4.404 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)cc1 726561160 AUJDBRDUOCATQO-UHFFFAOYSA-N 449.576 4.432 10 20 IICD COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 727243862 GTKBPLFMIYGSNV-UHFFFAOYSA-N 444.868 4.329 10 20 IICD C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 728178407 HKNMVQDHUKLOOL-HXUWFJFHSA-N 448.538 4.337 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)c3ccc(NC(C)=O)cc3)ccc21 728637773 PVSCMAJEZZKIJF-QGZVFWFLSA-N 436.508 4.291 10 20 IICD CCC[C@H](NC(=O)N(CCC)Cc1ccccc1O)C(=O)N1CCc2sccc2C1 731282188 IFPHYXBZYDPEEB-IBGZPJMESA-N 429.586 4.129 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCc4ccc(Br)cc43)CC2)cc1 732886188 CZGVPHVZQCJHHJ-UHFFFAOYSA-N 430.346 4.199 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1 733850895 TUGXBAWPPIQCKK-UHFFFAOYSA-N 444.535 4.461 10 20 IICD COc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 734019107 XIBJYYFQWPUFJZ-UHFFFAOYSA-N 434.418 4.054 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCSC[C@H]3c3ccccc3)cc2F)C[C@@H](C)O1 734660003 JDCGHDXRWMJUBB-PNCHPQGNSA-N 443.588 4.439 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)c1O 737278072 DTIUKTKCXTVAQW-UHFFFAOYSA-N 426.856 4.101 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(NC(C)=O)c3)n2)cc1 737381660 MPJGGBALMPFEEW-UHFFFAOYSA-N 431.539 4.276 10 20 IICD Cc1cc(C(=O)Nc2ccc(CNC(N)=O)cc2)c(C)n1-c1cccc(Br)c1 742384825 UFSCAYPRPORLME-UHFFFAOYSA-N 441.329 4.277 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(Cc3cccs3)nn2)cc1 742658755 DAMPQEYDBWKVHE-UHFFFAOYSA-N 447.564 4.310 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(c2ccc(F)cc2)CCOCC1 742802537 ZBLTWUWAPOCPFS-IBGZPJMESA-N 448.485 4.261 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC(F)F)c(OC)c1 743809164 OIIWAOQRQGRDKE-UHFFFAOYSA-N 430.245 4.427 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O 743809433 VXDUIXGGXAWUIV-HXUWFJFHSA-N 445.357 4.039 10 20 IICD C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745646574 FBDORBNJHSATLY-WAIKUNEKSA-N 429.511 4.219 10 20 IICD CC(=O)Nc1cccc(OCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 745800688 CXDJIYWUJZZESY-UHFFFAOYSA-N 425.529 4.274 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 745813682 PMVYJZCDDYEIBU-INIZCTEOSA-N 434.378 4.207 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 747978863 IRPMHBLTEZLHPD-UHFFFAOYSA-N 435.572 4.123 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 748705342 HKTZUQOMOGPVQE-DEOSSOPVSA-N 431.536 4.133 10 20 IICD Cc1cc(Cl)c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 752309993 OLQUIRMZSJTALX-OAHLLOKOSA-N 435.355 4.325 10 20 IICD Cc1cc(CC(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1 756699443 GNXKUSQUQBAICR-OAHLLOKOSA-N 431.439 4.084 10 20 IICD CN(CCOCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 757197076 FRJWJHXEMHHPDI-UHFFFAOYSA-N 433.499 4.115 10 20 IICD Cc1cc(N(C)C)ccc1CN1C(=O)CN([C@@H](C)c2cccc(Br)c2)C1=O 761356877 ZEXOLXFHXVOHFM-HNNXBMFYSA-N 430.346 4.349 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C 761996733 XWAFNXOGKOKPDW-ZDUSSCGKSA-N 429.922 4.047 10 20 IICD COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)o1 764412170 PSKZTDRFJJJVCV-YVLHZVERSA-N 426.475 4.123 10 20 IICD C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)C[C@@H](C)O1 765279252 YWHCAJIUVPACIT-OKILXGFUSA-N 434.334 4.090 10 20 IICD C[C@@H](Cc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 765553425 KOIDGCKTPUPHJZ-KRWDZBQOSA-N 431.374 4.123 10 20 IICD C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl 765602726 WJUFWZVBGBZZNF-QZTJIDSGSA-N 438.012 4.474 10 20 IICD CCCCCn1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1 767198615 IQVZCNHVRPQUKG-ROUUACIJSA-N 445.583 4.134 10 20 IICD CCOc1cccc(CN2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)c1O 768227714 VTFLIMPCOBLNKE-UHFFFAOYSA-N 439.581 4.241 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c1 773762522 KURZIIXOOVMASX-JMERFSKESA-N 437.334 4.300 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)c(Cl)cc1O 774150623 NDKRRXVEALXLNL-CYBMUJFWSA-N 429.369 4.334 10 20 IICD COc1cc(O)c(CNc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1OC 775755662 PCHUZCYCRLODCD-UHFFFAOYSA-N 435.480 4.257 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)cc1 779152448 ICEBSFRNOKRRLJ-UHFFFAOYSA-N 444.526 4.056 10 20 IICD COC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 783483227 PKPVPDNIJBWNOQ-MRXNPFEDSA-N 432.480 4.180 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(Br)ccc1Br 790516983 LDGMQLVTVIJFOR-UHFFFAOYSA-N 441.167 4.335 10 20 IICD O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C(F)F)cc1 805018720 SRVJPGFYEMJYII-CQSZACIVSA-N 432.439 4.173 10 20 IICD CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)CCC2 806303174 LBYAUQNMJPFYGT-NRFANRHFSA-N 438.572 4.025 10 20 IICD COc1ccc(-c2ocnc2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 808459302 IZGVWYWVOLMDCX-INIZCTEOSA-N 443.450 4.350 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c(c1)C(=O)OC2 809351037 GKSFQIDTSGFCDC-MHWRWJLKSA-N 444.559 4.039 10 20 IICD O=C1COc2c(cccc2N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)N1 811637175 VIHVXEIWSJGFNI-HXUWFJFHSA-N 441.447 4.177 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1ccccc1[N+](=O)[O-] 913362054 SKNCSLQRAUJECJ-WJDWOHSUSA-N 448.547 4.381 10 20 IICD CCCCCn1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ccccc2c1=O 914481850 TWKSAEBPGFBHIK-UHFFFAOYSA-N 432.568 4.458 10 20 IICD CCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(C(N)=O)c3)n2)cc1 914791849 XSWLOICKWVKAFV-UHFFFAOYSA-N 445.566 4.061 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)n1-c1ccccn1 914847769 KUKMHUJLRJGECY-UHFFFAOYSA-N 428.536 4.186 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 915676272 LUPMYZUXYCKWND-UHFFFAOYSA-N 437.439 4.491 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1SC(F)F 916671064 FIMNAYHPFBRFLH-UHFFFAOYSA-N 425.476 4.423 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 917007173 ZGFROXCIBNIGHE-BRWVUGGUSA-N 449.517 4.027 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(-c4cccnc4)nc4ccccc34)cc2)C1 917390858 CFZSBGUDUPDFMX-HXUWFJFHSA-N 438.535 4.006 10 20 IICD COc1ccc([C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N2CCCC2)cc1 918058415 FZAOPTGSXJEUQM-VWLOTQADSA-N 436.600 4.272 10 20 IICD CN(Cc1c(O)ccc2ccc(O)c(CN(C)C[C@H]3CCCCO3)c12)C[C@H]1CCCCO1 918733406 ZVGDPRTUNATRQR-NHCUHLMSSA-N 442.600 4.253 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(N4CCOC4=O)c3)c2C)cc1 919196915 WDQBKQJFRWTHIW-UHFFFAOYSA-N 432.476 4.399 10 20 IICD Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 920881504 NXJUIZAPHWYGFT-HNNXBMFYSA-N 427.595 4.437 10 20 IICD CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 920921446 GCYAPGYLPDEBTA-XMSQKQJNSA-N 430.618 4.028 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)CN)cc3)CCC2)cc1 1787961228 MAPNISNZGSZAOJ-GOSISDBHSA-N 444.579 4.437 10 20 IICD CC(=O)Nc1ccc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 17096886 AZTRZHMFXCOYKQ-UHFFFAOYSA-N 430.485 4.151 10 20 IICD Cc1nn(-c2ccccc2)cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 237617005 SWALXWFTCMJGKK-UHFFFAOYSA-N 430.474 4.326 10 20 IICD O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611439 QQIRSQFZCZPNON-SFHVURJKSA-N 444.526 4.083 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2c(c1)C[C@H](C)O2 727861695 ZXGRIKNBOVMWNL-ZTPSMGMTSA-N 443.546 4.442 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 728222521 HYPQDVJLJULLFI-SSZFMOIBSA-N 433.596 4.443 10 20 IICD COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3csc4ccccc34)CC2)cc1 730023320 LTAWIDRAXVCJRG-GOSISDBHSA-N 438.597 4.092 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(Cl)c1OC 730439350 HILOLESPJYPKLV-RAXLEYEMSA-N 429.947 4.203 10 20 IICD COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 730580320 OWFWNCHBQAXKLX-KRWDZBQOSA-N 449.954 4.235 10 20 IICD O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 731079355 WCQBMQAOCVWJAW-UHFFFAOYSA-N 446.329 4.343 10 20 IICD O=Cc1ccc(OCc2occc2C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 731611467 CXKFGSFCKIRIRK-UHFFFAOYSA-N 436.533 4.154 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)cc1 732731192 SVQPFGXDSDDFLA-UHFFFAOYSA-N 432.590 4.286 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 734407477 YNLDTEKNGXPJRI-UHFFFAOYSA-N 437.613 4.215 10 20 IICD C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3nn[nH]n3)c2C1 736157134 RQFLTFZFKMRRFT-PWVLXBNSSA-N 439.523 4.189 10 20 IICD C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 737037556 OTIUAFFSESMLFO-MRXNPFEDSA-N 433.955 4.213 10 20 IICD C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 738808248 KXRCOANUBCIGDX-MRXNPFEDSA-N 436.474 4.152 10 20 IICD O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 741137546 VPINFWAQZJCGMR-UHFFFAOYSA-N 435.914 4.221 10 20 IICD COc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cn2)cc1 743195908 LCYYFUFVUYKACS-UHFFFAOYSA-N 448.523 4.383 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccc(C)cc3)CC2)cc1 743708805 JZDWDGYZPVTTAG-SQJMNOBHSA-N 437.584 4.440 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1csc(-c2ccccn2)n1 743809067 MHXPFLLWLCRJRJ-UHFFFAOYSA-N 432.343 4.264 10 20 IICD COc1ccc(-c2n[nH]c(CNC(=O)N(Cc3ccccc3O)C3CCCCC3)n2)cc1 745839218 GQQYBDPYPJTRTK-UHFFFAOYSA-N 435.528 4.230 10 20 IICD CCn1ncc2ccc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc21 746771573 JUCYWAHNBOHGFG-HOTGVXAUSA-N 425.508 4.131 10 20 IICD CCc1cccc2c1N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CC2 746790967 QTHRUIXIOOKNPD-UHFFFAOYSA-N 426.428 4.136 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(O[C@@H]4CCOC4)CC3)c2C)c1 748832319 HYHKVEWHCLJSSV-OAQYLSRUSA-N 428.598 4.269 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 749590962 UDIOWHKMGVZUPV-YKSBVNFPSA-N 439.600 4.137 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 755983730 NYSJOFDRLJWGFZ-UHFFFAOYSA-N 425.478 4.008 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 756176248 KFBFKYIAURCGRN-RDPSFJRHSA-N 434.584 4.117 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 758419277 UVTZXNQWDOWZTO-RMENWYJGSA-N 442.562 4.099 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc1 761421673 QRUIWNZVLKMGNP-UHFFFAOYSA-N 440.346 4.083 10 20 IICD C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OCC(F)(F)F)cc1 765257538 ZATHHPDQDJEWNW-QFBILLFUSA-N 435.490 4.180 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767673056 VHKKSBWXWZQNSS-CQSZACIVSA-N 434.514 4.165 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)N(C)C[C@@H]2C)sc(C)c1-c1ccccc1 768762990 FYCFGGQWYGJGAD-IRXDYDNUSA-N 443.613 4.253 10 20 IICD COc1cc(Br)cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1O 769484756 YPOJPRRRHYUQEU-UHFFFAOYSA-N 437.290 4.115 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CC(C)C)c3cc(Cl)ccc3OC)nc12 775455925 VRDWZQZXGHLHLZ-SFHVURJKSA-N 446.935 4.151 10 20 IICD COc1ccccc1NC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 775654616 MVAYSKBUBISWHI-UHFFFAOYSA-N 433.346 4.322 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2cncnc2)cc1F 775874668 GQAJXQAFUVVLHX-UHFFFAOYSA-N 430.277 4.413 10 20 IICD COc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(=O)C1CC1 776223292 VMXACICZOOEBED-SFHVURJKSA-N 446.494 4.371 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2Nc2ccc(F)cc2F)c1 779157052 UASFSQFUEGMSJJ-ZDUSSCGKSA-N 441.434 4.239 10 20 IICD OC1CCN(c2ccc(CN[C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@H]43)cc2F)CC1 781422855 YSLCSYPFQUEVLK-GGBSJPMNSA-N 437.603 4.177 10 20 IICD CCc1cnc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 784197192 TYNLNOWVYRZJAC-NTEUORMPSA-N 438.621 4.492 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc(C)n4Cc3ccsc3)CC2)cc1 788424219 UOEACINDGYVGHL-UHFFFAOYSA-N 446.576 4.426 10 20 IICD CC(C)(C)OC(=O)NCCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 794274879 LOCOMTUYPUTOJW-XUDAUXSOSA-N 426.513 4.273 10 20 IICD O=S1(=O)CCCN1c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1 796268906 BMBCOPCIRPRPID-UHFFFAOYSA-N 433.577 4.401 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2Cl)C1 800544025 SWQAPGCSGRHIRP-VQIMIIECSA-N 431.968 4.274 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COC)C1 802617040 NSBYSLKDIIDTCT-OAQYLSRUSA-N 437.588 4.252 10 20 IICD COC(=O)COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl 806359777 KYSZUVCOLPRTKT-UHFFFAOYSA-N 433.675 4.226 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)c1 806801096 SARHMIDBRAMCTN-MRVPVSSYSA-N 434.212 4.460 10 20 IICD Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 807512824 KYIYECLKVWVELU-UHFFFAOYSA-N 449.338 4.138 10 20 IICD OC[C@]1(CNCc2cc(Br)cc(Br)c2O)C[C@H]1c1ccccc1 811512263 JMJKDBONTRFGQC-MAUKXSAKSA-N 441.163 4.173 10 20 IICD COc1ccc(N2CCN(CCC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 813641410 FPEJMUWWPRHQIM-UHFFFAOYSA-N 429.564 4.113 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c2C)c1 826541991 HWIYVNHWBAKXOH-HNNXBMFYSA-N 430.570 4.093 10 20 IICD COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 857458214 RWLHTBRMBWBIDG-GFCCVEGCSA-N 428.838 4.488 10 20 IICD COc1ccccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914084047 NQYUGEOQRGFQIP-SFQUDFHCSA-N 432.592 4.055 10 20 IICD Cc1ccc([C@H](C)N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917059637 ARICQDJZMYVGTC-ZCNNSNEGSA-N 427.564 4.057 10 20 IICD COc1ccc(N2CCCN(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 917089957 QGGLBSSMJRTPGH-UHFFFAOYSA-N 436.383 4.173 10 20 IICD C[C@H](c1ccccc1Cl)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 917396655 GELLQBCOAAPASG-QGZVFWFLSA-N 445.966 4.158 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC1=S 917619713 LTEKWWRZKFOMFU-MHWRWJLKSA-N 435.958 4.372 10 20 IICD Cc1cc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(C)n1-c1ccc(F)cc1 918671342 FGIWPDMITOKTPR-UHFFFAOYSA-N 425.529 4.283 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([C@H](C)NC(C)=O)s3)n2)cc1 918739452 AZMPSWBNUFDLBR-LBPRGKRZSA-N 435.596 4.432 10 20 IICD Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2F)n1 920870713 AWCXLFBSXXNGHI-GOSISDBHSA-N 437.519 4.348 10 20 IICD O=C(NCc1cccc(C(F)F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1255350707 BIKNDHDPXVAZAS-UHFFFAOYSA-N 443.416 4.479 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)CC2)no1 1322110724 RKUWVDITKFRSJZ-UHFFFAOYSA-N 440.931 4.079 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1cccc(Cl)c1 1337619915 OJEAGKXOQPXSCZ-OAQYLSRUSA-N 431.939 4.487 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nnc(C(F)F)n4c3)c2C)c1 1340590769 VJLMFJJWIQICDN-UHFFFAOYSA-N 438.434 4.423 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4c(Cl)cccc43)cc2F)CC1 303269527 FMNXTDANHUGRHN-OAQYLSRUSA-N 430.955 4.108 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3noc(C4CC4)n3)CC2)C1 436036839 YIJNXENQFWCLPD-UHFFFAOYSA-N 447.583 4.074 10 20 IICD C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCOC2=O)cc1 726247357 YZEUQDVHXLGFDT-QGZVFWFLSA-N 435.480 4.415 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(C)n1-c1ccccn1 728216545 AQHGBWXGOMOGDJ-LJQANCHMSA-N 449.530 4.302 10 20 IICD C[C@H](CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 729346513 YEUURYNTCKSGFB-GOSISDBHSA-N 446.588 4.463 10 20 IICD Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)nc1 731048791 PXTGIHACZPZPNV-JOCHJYFZSA-N 449.599 4.187 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)cc2)CC1 731049682 JXLOFPBPMNQNGJ-UHFFFAOYSA-N 440.632 4.293 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnn1-c1ccc(OC(F)F)cc1 731165292 ZEZRBNOVKNMUEB-UHFFFAOYSA-N 441.482 4.048 10 20 IICD O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 731859478 VTXYNDKTEFWUJG-VAMGGRTRSA-N 430.342 4.466 10 20 IICD CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 732230712 OHODFDILUXXAGO-OAQYLSRUSA-N 435.584 4.226 10 20 IICD Cc1cc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c(C)n1-c1ccc(F)cc1 740148198 JKECTYQCMBOMKB-HXUWFJFHSA-N 444.890 4.121 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 741055645 SSSDSWZGXZZUSP-UHFFFAOYSA-N 446.473 4.240 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742754208 NVPZTRSWICSXHT-AVRDEDQJSA-N 441.572 4.211 10 20 IICD CC(C)n1ncc2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cnc21 742800383 QSBFPZNOAVTWAJ-QGZVFWFLSA-N 429.471 4.012 10 20 IICD COC(=O)c1ccc(F)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743099537 ZDGQKRFTMGEQQF-AWEZNQCLSA-N 437.418 4.004 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 743118822 ZGJMHZRETABVRG-UHFFFAOYSA-N 448.317 4.161 10 20 IICD C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)Oc1ccc(Br)cc1 743552902 VDLTUTYOLAUMTK-MRXNPFEDSA-N 432.362 4.316 10 20 IICD COC(=O)c1cccc(-c2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)cs2)c1 743839445 XLTFWWPFWPIVRC-UHFFFAOYSA-N 437.565 4.065 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1 743891706 ZWALYUQBWKANES-UHFFFAOYSA-N 427.520 4.248 10 20 IICD COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1C 746340847 ULXATSKZGDUYKM-WOJGMQOQSA-N 443.546 4.270 10 20 IICD Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n(-c2ccccc2)n1 746344873 KWDUVGZNCUKBNP-NTKDMRAZSA-N 448.567 4.208 10 20 IICD CCCCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746954286 XWNKFJSLLLWEFC-OAQYLSRUSA-N 440.563 4.039 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1 747875513 VQSUPTPHSSPQJD-UHFFFAOYSA-N 445.928 4.282 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 748673967 OCGHJLCDBIUXMX-UHFFFAOYSA-N 427.551 4.082 10 20 IICD COc1cc(N(C)Cc2csc(CC(=O)Nc3ccccc3C)n2)cc(OC)c1OC 749159676 IPJOIYOWLBJRGZ-UHFFFAOYSA-N 441.553 4.295 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)c2C)cc1 749524580 YFTPDXHNEMYZDT-UHFFFAOYSA-N 433.552 4.312 10 20 IICD CC(C)OCc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 751064609 XBPSEAZVELOZCT-UHFFFAOYSA-N 446.550 4.432 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)CC2)cc1 751089808 BKFNECFUIUHOLE-CTNGQTDRSA-N 429.586 4.023 10 20 IICD C[C@@H]1CN(Cc2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)C[C@@H](C)O1 751301811 HBNSVGAZQJZNLU-RTBURBONSA-N 441.535 4.258 10 20 IICD CNC(=O)[C@@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CCC2 752426374 JLXAEFXXQSECHS-KAKMCVKYSA-N 442.563 4.042 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 753365801 XJSRESLFZBGGIZ-XMMPIXPASA-N 432.609 4.321 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4c(F)cccc4s3)CC2)cc(OC)c1OC 759223311 YVABATYNODIXIE-UHFFFAOYSA-N 430.501 4.029 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCSc1nccs1 759600220 BOEZUWSPISBWLK-UHFFFAOYSA-N 430.393 4.325 10 20 IICD CN1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 762585933 CRJRRIXBRXTTMG-WMZHIEFXSA-N 442.966 4.348 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Oc3cc(OC)c(C(C)=O)cc3OC)ccc21 764311993 JKCYCOUFWHPHTO-UHFFFAOYSA-N 425.481 4.344 10 20 IICD C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 765136311 LHZUZSIVRJKMCX-HOTGVXAUSA-N 449.364 4.481 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H](c3ccc(Cl)c(Cl)c3)C3CC3)cc2)CC1 774412656 NBJPHGBDSADOJR-OAQYLSRUSA-N 439.408 4.469 10 20 IICD CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CCc3ccccc3)c3ccccc3)nc12 775179260 CQZVTQKVLHORDM-QFIPXVFZSA-N 430.508 4.075 10 20 IICD C[C@H](NCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775254191 INSGWMWFWCWKQX-CUNXSJBXSA-N 443.591 4.274 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2C)cc1 777665534 IXYIBAUGWASDKW-UHFFFAOYSA-N 426.514 4.333 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](CCc1ccccc1)C(F)(F)F 778773318 NXOADBUATVEHIT-QFIPXVFZSA-N 449.517 4.258 10 20 IICD CC(=O)N1CC[C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc2C1 779070672 CRVIJBMQYMWGBA-WMZHIEFXSA-N 429.511 4.340 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](CCOC)c1ccc(C)o1 779395852 ADIOFLGAVPBCLO-MRXNPFEDSA-N 425.323 4.365 10 20 IICD C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 783932905 HSJXSOSQVOIAPG-CQSZACIVSA-N 435.933 4.054 10 20 IICD COc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c(O)c1 792835511 ZWDHUBYVZQYFNY-OAQYLSRUSA-N 437.565 4.061 10 20 IICD COc1ccccc1-n1nccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 797397899 IRUCGKONHRGHNW-XSFVSMFZSA-N 436.562 4.353 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cc(F)cc4c3OCOC4)cc2Cl)C1 800049025 KMQGKUJNCYFIBJ-OAHLLOKOSA-N 432.923 4.441 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2Cl)C1 800515370 TZPUVEOUVWPDPY-AWEZNQCLSA-N 428.920 4.229 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 801144358 LXTRPUUUKMUEKQ-HSZRJFAPSA-N 436.531 4.207 10 20 IICD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 802550989 KYZHLMDQJGRQKJ-UHFFFAOYSA-N 446.526 4.392 10 20 IICD O=C(Nc1ccc(Oc2cccnc2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 808919597 AWJPIIITXCSZCK-UHFFFAOYSA-N 443.459 4.340 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 809196718 YBEJLBUUZPCJHU-JTHBVZDNSA-N 437.559 4.227 10 20 IICD COc1cccc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 913361332 QGJFVFTXKKDOKL-SFQUDFHCSA-N 433.576 4.482 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 915778701 PQNYAPSUIZATQK-UHFFFAOYSA-N 447.510 4.260 10 20 IICD COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3O)C2)c2ccccc12 917309844 HHCSVIDQDUCZIB-LJQANCHMSA-N 432.520 4.065 10 20 IICD Cc1ccc2nc(COc3ccc(C(=O)Nc4cccc(N5CCOCC5)c4)cc3)cn2c1 918371937 MPVKTKAJHIPYEP-UHFFFAOYSA-N 442.519 4.311 10 20 IICD Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c(C)n1-c1cccc(Cl)c1 920662068 KJALLVMTUQQSSJ-ZDUSSCGKSA-N 445.928 4.092 10 20 IICD COc1ccc([C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccc(OC)cc2OC)cc1 1320180651 URYSXMGHABRHED-BSCSFVRCSA-N 435.476 4.043 10 20 IICD C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1326063077 WDJCONKOWGCGBZ-GCJKJVERSA-N 440.540 4.118 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NCCc2ccncc2)c1 1518305045 MVUBEMHWCFFHPY-QGZVFWFLSA-N 425.916 4.047 10 20 IICD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)c1ccccc1 1788429275 BQSZPANBZAODTR-MRXNPFEDSA-N 431.492 4.044 10 20 IICD CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1816760651 MGBVCDPFOXFLTH-HNNXBMFYSA-N 434.924 4.216 10 20 IICD CC(C)c1cccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 71933462 MXEBHBNSQKDOIG-UHFFFAOYSA-N 436.474 4.361 10 20 IICD COc1ccc([C@@H](NCc2ccc(OC)c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 237271966 MMHPKLOOJQJZBB-XMMPIXPASA-N 425.550 4.295 10 20 IICD COc1ccc(O)c([C@H](C)Nc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 301217121 ZNKKFKGFNUWHTR-JTQLQIEISA-N 440.809 4.187 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)ccc1Br 476668981 CXSISSSQOLTWPR-UHFFFAOYSA-N 440.135 4.317 10 20 IICD COCCCN1CCC(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 726984037 GUBXPQZJZHMKKJ-UHFFFAOYSA-N 448.405 4.087 10 20 IICD COc1ccc(Br)cc1/C=C1\SC(=S)N(CCc2cccnc2)C1=O 727863496 CGQIBMFGDRRLGD-YBEGLDIGSA-N 435.368 4.297 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3F)ccc21 728638026 VEMMEQVNAAXTRM-OAHLLOKOSA-N 430.451 4.367 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 729280393 SWPCWFMRAMCNFM-JPYJTQIMSA-N 448.519 4.116 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCCOC)cc3)SC2=S)cc1 730592960 BWPREWZDLMGMNA-XMHGGMMESA-N 443.546 4.294 10 20 IICD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)c(Cl)c4)n3)ccc2N1 731059145 XCGVPHVKHQGNQJ-UHFFFAOYSA-N 437.905 4.288 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(SC(F)F)c3)cc2)CC1 731131409 GYSHEUFSRUVNSR-UHFFFAOYSA-N 433.524 4.493 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C 735371125 USLXFVBCWYQRDP-UHFFFAOYSA-N 444.601 4.411 10 20 IICD O=C(COC(=O)c1ccnc(-n2cccn2)c1)Nc1ccc(N=Nc2ccccc2)cc1 740343320 ZYEZXPZWQVYEKB-UHFFFAOYSA-N 426.436 4.478 10 20 IICD C[C@@H](CC(=O)c1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 742602420 RDHPUOCWELNXJP-RXVVDRJESA-N 426.532 4.308 10 20 IICD CC(C)(C)c1noc(CCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 742805553 LJUGKSOVGQOUAB-OAHLLOKOSA-N 436.503 4.076 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nnc(-c2ccsc2)o1 743809027 LFAJODKAYLXYNQ-UHFFFAOYSA-N 436.331 4.248 10 20 IICD COCCN(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 746478013 LRUQBZXZTOSIDD-UHFFFAOYSA-N 441.355 4.122 10 20 IICD Cc1cc(CC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)c(C)n1-c1ccc(Cl)cc1 747146928 UUMQBSNDIRCALV-YTFSRNRJSA-N 429.992 4.000 10 20 IICD O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 751121531 YEIJGTZUBJBMIQ-AWEZNQCLSA-N 447.887 4.017 10 20 IICD Cc1cc(-c2nnc(N3CC[C@]4(CCOC4)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1 752846091 UYYJQASYLGTSST-RLWLMLJZSA-N 447.583 4.006 10 20 IICD C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 754321929 YDVWFKNMBKLIBR-UONOGXRCSA-N 437.418 4.224 10 20 IICD COc1cccc(OC)c1Oc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 756431580 CFEHCTXBBQWAFK-AWEZNQCLSA-N 425.441 4.356 10 20 IICD COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 759370301 SXPAJENRKAJYLM-IBGZPJMESA-N 438.568 4.398 10 20 IICD CC[C@H](Cc1ccccc1Br)NC(=O)NCc1ccc(N2CCOCC2)cc1 759732679 UIJJPJILAXEMEN-LJQANCHMSA-N 446.389 4.106 10 20 IICD O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)N(Cc1ccco1)Cc1ccccc1O 760035696 UJNBJPRWEODOIA-UHFFFAOYSA-N 440.463 4.348 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 761967276 KATGJRPWMLUJQA-MRXNPFEDSA-N 446.503 4.117 10 20 IICD O=C(CSCc1ccc(Br)cc1)NCc1cccc(Br)c1O 765757693 SZZDLFWGIASHHI-UHFFFAOYSA-N 445.176 4.467 10 20 IICD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCc2cccc(Br)c2O)c1 765766914 DUCVIPKLXWPVID-UHFFFAOYSA-N 433.346 4.203 10 20 IICD COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cccc12 766742827 DEBSKLTYVLGSFV-UHFFFAOYSA-N 443.481 4.085 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 769288782 AMHDQKRUGCKHQU-UHFFFAOYSA-N 449.532 4.085 10 20 IICD CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)c1cccc(C(F)(F)F)c1 769738381 KNNUWGGHHRXUKY-GFCCVEGCSA-N 430.448 4.006 10 20 IICD Cc1cccc(COc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c(C)c2)c1 769777929 KHSILPLHNSCHNO-UHFFFAOYSA-N 440.521 4.212 10 20 IICD C[C@@H](NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1)c1ccc(N2CCOCC2)cc1 773246189 PBTLZRMDGSXCPW-HXUWFJFHSA-N 436.600 4.239 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccc(N(C)C)cc1 773858047 NXHFKFBAYVYESP-QGZVFWFLSA-N 431.540 4.022 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)c1 774215053 XUNCKDOWNXRYEV-LBPRGKRZSA-N 443.297 4.132 10 20 IICD Cn1cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c(-c2cccnc2)n1 780775465 VRLCMXQXSPZXNQ-UHFFFAOYSA-N 433.556 4.460 10 20 IICD CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 783720775 WRRQNNHOHPSDMT-UHFFFAOYSA-N 432.565 4.464 10 20 IICD CCc1c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1-c1cccc(Cl)c1 792488037 KKKPPJLXWWLKJF-UHFFFAOYSA-N 439.947 4.451 10 20 IICD COC(=O)c1nc([C@H]2CCCN2Cc2cc(Br)cc(OC)c2O)sc1C 793235364 OLZDEFNIXDCXTC-CYBMUJFWSA-N 441.347 4.052 10 20 IICD Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 796201513 OYCTZCLZUVCLAV-AWEZNQCLSA-N 446.459 4.066 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 806458079 VHWQDWCPBNBMST-CQOQZXRMSA-N 437.559 4.265 10 20 IICD COC(=O)c1cc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)cc1Br 806740037 MIXUNKWTVJYKAQ-NSHDSACASA-N 437.290 4.141 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 807838092 IIKSKLFUZYBMOO-UHFFFAOYSA-N 426.300 4.300 10 20 IICD COC(=O)CCc1nc(CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)no1 814770871 HRDIURROQIWENO-RIYZIHGNSA-N 445.547 4.294 10 20 IICD COc1ccc2c(c1)c1c(n2Cc2nc(-c3cnn4c(C)cc(C)nc34)no2)CCCC1 904379126 DXNDNQQNSKBIRM-UHFFFAOYSA-N 428.496 4.287 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2oc(O)nc2c1 914607924 QCYLNTXVTQUDCO-GDNBJRDFSA-N 445.547 4.215 10 20 IICD Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708220 BHKMXILJINAFCG-UHFFFAOYSA-N 429.492 4.163 10 20 IICD CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C 918048180 OZESMVWRVBNVTG-HOTGVXAUSA-N 442.535 4.336 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1C 919525736 MOZAQOALDSXGAP-UHFFFAOYSA-N 433.508 4.006 10 20 IICD C[C@H](NC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccc(N2CCOCC2)cc1 920921439 FYHVQVWLBXAOEG-QFIPXVFZSA-N 444.579 4.434 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 206447180 DXILOCWHFQAJSN-XMHGGMMESA-N 427.547 4.420 10 20 IICD COc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2c(c1)C[C@H](C)O2 237409890 SWJODIFYOXKNSQ-HNNXBMFYSA-N 436.474 4.164 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](Cc3nc(C)no3)c3ccccc3)ccc21 429508979 IFFYOCXHKBHEDZ-QFIPXVFZSA-N 432.524 4.310 10 20 IICD Cc1c(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)n(C)c2ccccc12 473271887 UVGDXNZBHMXTKJ-FQEVSTJZSA-N 431.561 4.206 10 20 IICD CCOc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1OC(F)F 726611648 SVSPYOUNGBMHNG-UHFFFAOYSA-N 449.498 4.164 10 20 IICD C[C@@H](COc1cccc(F)c1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726613096 NDCNFVMUGACUFR-HNNXBMFYSA-N 437.462 4.163 10 20 IICD COCCn1c(C)cc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)c1C 726627016 NTQRMWWYZKZASL-PGMHBOJBSA-N 443.638 4.479 10 20 IICD O=C(Nc1ccccc1N1CCCC1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726694239 GMGNBQZQMFLJIP-UHFFFAOYSA-N 444.482 4.205 10 20 IICD COc1cccc(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1O 727762997 VPXLAOLRYDSIRM-UHFFFAOYSA-N 432.270 4.265 10 20 IICD CCCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2Cl)CC1 729038544 XYYANAKFOIXLCC-INIZCTEOSA-N 446.979 4.469 10 20 IICD Cc1cc(COc2ccc(/C=C3\SC(N4CCCCC4)=NC3=O)cc2)oc1C(=O)O 729937165 MYFQKENIKSDLQO-PDGQHHTCSA-N 426.494 4.321 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1F 731346958 DOMNIRAMSFNSAC-UHFFFAOYSA-N 444.528 4.169 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)cc2)CC1 733041180 SXNPCJLNVJBTSS-NRFANRHFSA-N 428.621 4.007 10 20 IICD Cc1cc(C(=O)NCCCSc2nccs2)c2cnn(Cc3cccs3)c2n1 733972858 AHUQWVQZCXZXBQ-UHFFFAOYSA-N 429.596 4.218 10 20 IICD CN(C)c1ccc(CNC(=O)c2cc(Br)sc2Br)cc1F 735008143 SWJBDESKVWPHTC-UHFFFAOYSA-N 436.144 4.408 10 20 IICD CON(C)C(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 736982898 PIHWOVDBGZABLY-UHFFFAOYSA-N 436.512 4.213 10 20 IICD COc1cccc(CN(C(=O)NCc2ccc(N3CCCC3)cc2)C2CCC(O)CC2)c1 737038297 ZESDRTCJPHLELW-UHFFFAOYSA-N 437.584 4.311 10 20 IICD COc1ccc(N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)Cc2ccco2)cc1F 739927038 ZVKKESCJDRHSFM-UHFFFAOYSA-N 444.459 4.098 10 20 IICD O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 740457359 DSIRGOYOTQOIHI-NRFANRHFSA-N 447.482 4.246 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1 743046970 TVTHIGZIBLPQRK-UHFFFAOYSA-N 426.878 4.190 10 20 IICD CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 743624367 QFNIOYDZXNYNFZ-UHFFFAOYSA-N 430.552 4.287 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1NS(=O)(=O)C(F)(F)F 747361729 VUJXJGGQBJGYNT-UHFFFAOYSA-N 427.448 4.109 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cncc(Br)c3)n2)cc1 747858275 RSDADJJMDREUMX-UHFFFAOYSA-N 440.344 4.167 10 20 IICD CCOc1ccccc1N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 755155882 AFXPTUBIYWARDU-UHFFFAOYSA-N 430.416 4.046 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C(F)F)c3Cl)CC2)cc1 755230870 HIAIPDHLOQFDGE-UHFFFAOYSA-N 437.874 4.010 10 20 IICD Cc1nc(-c2cccc(NC(=O)CN(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cs1 756334824 CUJRGTGRZVDAHI-NRFANRHFSA-N 437.565 4.444 10 20 IICD CCC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F 756937985 ADLHGTYISXLKJF-UHFFFAOYSA-N 438.421 4.204 10 20 IICD CC[C@H](C)[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759221359 PMMLEHPOFWPXPB-FDDCHVKYSA-N 426.557 4.191 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 765375650 JCVIBHNGVZOLTD-YTFSRNRJSA-N 429.605 4.181 10 20 IICD C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 765553427 KOIDGCKTPUPHJZ-QGZVFWFLSA-N 431.374 4.123 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 767304735 LKOKPIAIDKZSGD-OAQYLSRUSA-N 431.989 4.176 10 20 IICD O=C(c1cccc2ccccc12)N1CCN(Cc2cccc(Br)c2O)CC1 768443846 VCFLLLATXVDCIM-UHFFFAOYSA-N 425.326 4.266 10 20 IICD COc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1OCc1cn2ccccc2n1 770528332 QEMKZZYYMQPZIT-UHFFFAOYSA-N 444.535 4.371 10 20 IICD CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 770755740 HOTAGAIWOULBCL-QPHKYOTMSA-N 447.526 4.154 10 20 IICD CCc1nc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n[nH]1 770999492 UHJMIJCBYUAGRB-QGZVFWFLSA-N 441.482 4.034 10 20 IICD COc1ccc(CNC(=O)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1 772078524 ANWGZXILQNALDI-UHFFFAOYSA-N 445.523 4.223 10 20 IICD C[C@H](NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)c(F)cc1O 774397389 RYIGJIFSNZOGCN-GXSJLCMTSA-N 436.243 4.213 10 20 IICD C[C@@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccc(N2CCOCC2)cc1 775256227 VTNBXWGYLCFTPD-CYBMUJFWSA-N 449.374 4.248 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC[C@H](CN2CCCCC2)C1 775720226 JCZTUZASXDZHPT-CYBMUJFWSA-N 432.200 4.225 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCCCSc1nccs1 776515239 DNMWFABAHPQKAK-CABCVRRESA-N 428.624 4.103 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 778915811 VZKFLXHXOOEUPO-UHFFFAOYSA-N 445.319 4.251 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1O 779012146 LOQZSSNJBBMTIW-IFXJQAMLSA-N 433.346 4.431 10 20 IICD Cc1cc(C(=O)[C@H](C)OC(=O)c2csc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1 779117225 QIOVXTMEVKFHAO-LBPRGKRZSA-N 435.452 4.162 10 20 IICD CCCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1 782249868 OZHGSJNEMZAFPS-GOSISDBHSA-N 436.531 4.292 10 20 IICD COCCCOc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483262 QFLWAYWCURKEIW-IBGZPJMESA-N 447.535 4.417 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2c(F)cccc2Br)C2CCCCC2)cc1 784057730 CUMSKPWJQSBEES-UHFFFAOYSA-N 434.309 4.475 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1OC(C)(C)C 785191532 DTGOVWVWCUAJMT-UHFFFAOYSA-N 449.345 4.319 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccnc2-c2cnn(C)c2)cc1 786211076 TXGOSHBKRFDYGQ-UHFFFAOYSA-N 430.512 4.375 10 20 IICD CCc1cccc(Cl)c1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 788968388 RKVSPSWXDJJUMZ-UHFFFAOYSA-N 439.966 4.448 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(Cl)c2c(c1)OCO2 791246250 KTPKEIXJLHSBKJ-UHFFFAOYSA-N 432.904 4.071 10 20 IICD C[C@@H](NCc1cnc2n1CCCC2)c1cc(Br)cc(Br)c1O 793566938 VYYIGOLZAYCZIW-SNVBAGLBSA-N 429.156 4.301 10 20 IICD Cc1cc(Br)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1O 798083192 QUCFZXVAYPWIGD-GASCZTMLSA-N 433.346 4.325 10 20 IICD CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 800719344 JOISHPHNAUHUOF-UYAOXDASSA-N 449.039 4.270 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)N1CCOc2ccc(Br)cc2C1 801745708 RIXGHURWDZGBJR-UHFFFAOYSA-N 430.346 4.154 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 804277908 JSBDMSWHRCTBKR-VAFHRPCXSA-N 446.623 4.206 10 20 IICD O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C(F)F)cc1 805018719 SRVJPGFYEMJYII-AWEZNQCLSA-N 432.439 4.173 10 20 IICD CN(C)S(=O)(=O)c1cc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1F 806542926 CJAKNRSXFHICDY-UHFFFAOYSA-N 449.548 4.148 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1)c1ccc(N(C)C)cc1 807670347 DJCYVODZUJKCIV-MRXNPFEDSA-N 429.511 4.179 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 808013183 PZOGYBIUGUZYTB-UHFFFAOYSA-N 426.563 4.193 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1)[C@H]1C[C@@H]1C 815593957 BWWHPADKTQRHMI-XDHUDOTRSA-N 448.567 4.335 10 20 IICD C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 815609716 QHUBKLFOMSKHEX-QRWLVFNGSA-N 443.548 4.160 10 20 IICD CN(C)c1ccc(C2(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2)cc1 815715704 QYINLXOINGSLDB-GOSISDBHSA-N 429.511 4.171 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 914728076 BTAPPEDZQPJWJL-UHFFFAOYSA-N 431.462 4.403 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)CC2)cc1 919908694 HRBHZVSJFFMBGY-UHFFFAOYSA-N 436.556 4.112 10 20 IICD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 1800512872 FZMFYHRYPDGFPQ-RHHYMUMYSA-N 442.563 4.363 10 20 IICD COC(=O)c1ccc(F)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726696859 XFTSRNUGHWHWRS-UHFFFAOYSA-N 437.418 4.004 10 20 IICD C[C@@H]1Cc2ccccc2N1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726708428 HXDQGIRVWMBSRU-QGZVFWFLSA-N 444.526 4.007 10 20 IICD CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cc2C[C@@H]1C 727250155 IGUUZJGJKDTIEL-LBPRGKRZSA-N 431.514 4.048 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729880372 ZOMZBXJYVMGDPN-UHFFFAOYSA-N 443.416 4.394 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCc1cc(OC)c(OC)cc1Br 731282029 GZHKHJVVHJTOKJ-UHFFFAOYSA-N 437.334 4.294 10 20 IICD Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 734770865 PIGJGVHGHNZENJ-HXUWFJFHSA-N 447.558 4.061 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCc3ccc(F)cc3)C3CC3)cc2F)C[C@H](C)O1 735188452 YYHSOQSVYAUVER-ROUUACIJSA-N 443.538 4.495 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742801316 PHAJWOJJIDQVNE-IBGZPJMESA-N 448.558 4.475 10 20 IICD C[C@H](NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 743229165 VPAVKYVVMXXTEA-SFHVURJKSA-N 439.556 4.290 10 20 IICD O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)NCc1c(O)ccc2c1CCCC2 743565774 YJWKMGRNUQKBEL-UHFFFAOYSA-N 444.457 4.475 10 20 IICD CCN(Cc1cc(Br)ccc1O)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 743871283 ZXGQURVUEOCANM-GOSISDBHSA-N 432.362 4.004 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[C@H]1c1ccccc1 746414566 QEZOOHNFVBAIAM-GZGNHOFSSA-N 448.611 4.114 10 20 IICD COc1sc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1Br 746522385 KUOLLAXSAHRVKT-LCYFTJDESA-N 441.397 4.358 10 20 IICD CC(C)c1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1-c1ccccc1 753817437 JUHYTDADQAMSPF-UHFFFAOYSA-N 445.567 4.191 10 20 IICD COc1ccc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1F 753858457 RXHKUECPPYOJGF-UHFFFAOYSA-N 427.501 4.009 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(N4CCC(C)CC4)c3)CC2)cc1F 753892653 YTNKWVHEEHDAAC-UHFFFAOYSA-N 426.536 4.425 10 20 IICD C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 754160101 QIUYEJPEENDOMA-SFHVURJKSA-N 427.568 4.021 10 20 IICD CCS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 756889479 MIIATYWVBQOSBD-UHFFFAOYSA-N 428.598 4.062 10 20 IICD COc1cc(N2CCN(C(=O)Nc3cccc4ccsc34)CC2)cc(OC)c1OC 759995759 XRGKAFQDGVIODQ-UHFFFAOYSA-N 427.526 4.281 10 20 IICD CN(C)c1ccc(N2CCC(N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)cc1 765993847 NJSYYGGMAGOSCK-JOCHJYFZSA-N 443.035 4.335 10 20 IICD COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1 767306436 ULNPLZOGJNVSCJ-HYFFOGBASA-N 445.535 4.225 10 20 IICD C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 769683267 CUARRWSDMUCPDW-JKSUJKDBSA-N 445.526 4.323 10 20 IICD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cc1ccccc1 773843894 BFWZRELZEVNFBX-SFHVURJKSA-N 431.536 4.168 10 20 IICD C[C@H](NCC[S@@](=O)c1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1 775261500 VRCIERJIOUVZKN-KUNJGFBQSA-N 427.397 4.288 10 20 IICD CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 776941641 XDEZRCFXIAMYOS-SQGPQFPESA-N 425.520 4.150 10 20 IICD COc1ccc(C(=O)c2ccccc2C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 781302262 WGQMHQZPEQZPMH-UHFFFAOYSA-N 444.531 4.287 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1 782423772 LOQGDXICTQGBED-UHFFFAOYSA-N 429.879 4.306 10 20 IICD CCN(CC)CCCC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 782506447 RROZGAZTAAEMAJ-NRFANRHFSA-N 430.637 4.128 10 20 IICD CCc1c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cnn1CC(C)C 783487141 UWWDGYXEPUFMMS-GOSISDBHSA-N 433.556 4.417 10 20 IICD Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1C(=O)N(C)C 783487260 VYEAATLIADSYNG-SFHVURJKSA-N 444.535 4.012 10 20 IICD CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cn1 790078676 TVJTYXHEIBQDJB-UHFFFAOYSA-N 441.329 4.140 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1ccc(C)cc1C 791250303 PJOBSWQDDJVSPF-UHFFFAOYSA-N 426.557 4.461 10 20 IICD COc1cc(OC)cc([C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)c2nccn2C)c1 793039481 CVSKZCRVHPATFU-NRFANRHFSA-N 448.489 4.401 10 20 IICD CCN(CC)c1ccc(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1F 794807207 KSYKUWLVIPKLJQ-LBPRGKRZSA-N 448.391 4.477 10 20 IICD C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(N2CCCCC2)c(F)c1 794830268 VEYFEWFHMOAMKU-XOBRGWDASA-N 434.353 4.456 10 20 IICD C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 799305735 LSIXXYNXSKNSNZ-HXUWFJFHSA-N 433.552 4.012 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 804681834 FQBZAEATMDUFMC-QHCPKHFHSA-N 437.971 4.380 10 20 IICD CC[C@@H](CSc1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 807688408 QUFRKIHFPOAXLV-IBGZPJMESA-N 438.549 4.201 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(c2cccnc2)CCCC1 808273604 FMTXDGCMUZGPHB-UHFFFAOYSA-N 433.474 4.065 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 808526867 XNUFLTMYXRALDH-UHFFFAOYSA-N 435.958 4.356 10 20 IICD CCOC(=O)c1c(NC(=O)CSc2nccnc2N)sc(C)c1-c1ccccc1 812251439 UFYJPFUSDAUGGK-UHFFFAOYSA-N 428.539 4.003 10 20 IICD Cc1cc(Br)c(O)c(CN[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 813786570 NRNMUXZQFRUVKK-INIZCTEOSA-N 425.367 4.342 10 20 IICD Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917714730 OKICCVITHGTGJU-OKILXGFUSA-N 429.517 4.394 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)C1 918027220 GNYOHXWGCNSTSJ-HXUWFJFHSA-N 440.547 4.281 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCC3(c4ccc(F)cc4)CC3)cc2F)C[C@@H](C)O1 918210955 BBZZFBFTGCPNPW-CALCHBBNSA-N 429.511 4.109 10 20 IICD CCc1nc2cc(NC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)ccc2o1 918219727 OQYMINJQZCZWRS-GASCZTMLSA-N 426.492 4.465 10 20 IICD Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC[C@@H]2CCCO2)c1 920872758 HCBOIDMOIHZFJZ-UGKGYDQZSA-N 439.556 4.272 10 20 IICD COc1cc(CCNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1OC 16143305 KRCAJGXFIDCWQH-UHFFFAOYSA-N 441.459 4.131 10 20 IICD Cc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n2nc(C(F)(F)F)nc2n1 301464608 KWYRUKUPVHFFGP-LBPRGKRZSA-N 442.392 4.134 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 727241747 DEFHGDMSJGEGQG-UHFFFAOYSA-N 428.944 4.421 10 20 IICD CC[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 728817859 HFYFAYQBVMXQFU-OAQYLSRUSA-N 447.558 4.142 10 20 IICD CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731049371 WOXBAHZQIBERPU-IFMALSPDSA-N 428.621 4.149 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1F 731409725 ZRHUEAOCPADPIL-UHFFFAOYSA-N 443.853 4.182 10 20 IICD NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3OCc3ccc(F)cc3)c2)CC1 739764713 DJQWRKFTHKUJND-UHFFFAOYSA-N 447.510 4.359 10 20 IICD CC(=O)N(c1ccccc1)c1nc(CN(C)Cc2ccc(N3CCOCC3)cc2)cs1 741736074 MYAMJCINGQANSJ-UHFFFAOYSA-N 436.581 4.296 10 20 IICD O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805575 MBPMNFNCRKDZNL-LJQANCHMSA-N 425.479 4.406 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](NC(=S)Nc3ccc4c(c3)OCCCO4)C2)cc1 743015445 GJWPAGAYONUAQH-INIZCTEOSA-N 449.523 4.405 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 743142885 NBVSDHBEPRGNNR-UHFFFAOYSA-N 427.570 4.334 10 20 IICD CC(C)(C)c1ncc(/C=C\C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)s1 744357133 KUUILECIVQUNHQ-DUQGCJEPSA-N 439.581 4.261 10 20 IICD CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1 748805888 HUZYKPHZCFDMOD-ZIAGYGMSSA-N 438.505 4.164 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2I)cc1 750724225 FSHLAXLFIIZHRH-UHFFFAOYSA-N 426.273 4.207 10 20 IICD CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCc1ccc(N2CCSCC2)cc1 755566143 ZCNKQWMPKJTNJV-UHFFFAOYSA-N 441.597 4.446 10 20 IICD C[C@]1(c2ccccc2)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 760163745 GBMBHIVGDQFULG-XMMPIXPASA-N 445.510 4.214 10 20 IICD COc1cc(N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)cc(OC)c1OC 761219966 QWXUKLOFTJGWEG-UHFFFAOYSA-N 427.328 4.047 10 20 IICD C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)c(Br)c1 765242918 IQRKXTTXFAIMRG-PBHICJAKSA-N 434.353 4.141 10 20 IICD C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2CCCCC2)c(F)c1 765808768 KBUXEAUWUCLSSQ-GOSISDBHSA-N 431.577 4.207 10 20 IICD CCN(CCC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1)CC1CC1 771425268 YXIHERQFNCOBQX-OAQYLSRUSA-N 442.648 4.128 10 20 IICD Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1-c1cccc(C(F)(F)F)c1 773006778 FVICYEJEAVHEDI-HNNXBMFYSA-N 444.457 4.117 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1ccccc1COCc1ccccc1)c1ccc(N(C)C)cc1 773855827 HEFKMZCMZURJKO-LJQANCHMSA-N 431.536 4.285 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccc(N(C)C)cc1 773858867 RHSKVRCXJGGOLD-IBGZPJMESA-N 431.536 4.285 10 20 IICD O=C(NCCc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 774470088 DKQPHRMRUXLQTA-UHFFFAOYSA-N 440.463 4.449 10 20 IICD CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc(Br)ccc1O 775510261 YXLLUSHWCBDMQC-JRGCBEDISA-N 433.390 4.078 10 20 IICD C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 777219113 DEXMVEGBSHDEHX-IBGZPJMESA-N 425.548 4.390 10 20 IICD CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc([N+](=O)[O-])c1O 777443164 PKMTVUPNBXJQIM-DFNIBXOVSA-N 429.904 4.221 10 20 IICD Cc1cc(C(=O)N2CCC(O)(C(F)F)CC2)c(C)n1-c1cccc(Br)c1 779307930 BSPPBLYOWTXGBT-UHFFFAOYSA-N 427.289 4.089 10 20 IICD CCN(CC)C(=O)CCC1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1 782281789 XOSDKHCEHRCJNR-UHFFFAOYSA-N 438.568 4.189 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)c2)CC1 787278317 DFJVTFBNAVYZPO-UHFFFAOYSA-N 438.572 4.106 10 20 IICD COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OC(C)C)c1 788780287 GLPXACGIJPNCCW-UHFFFAOYSA-N 434.483 4.483 10 20 IICD CO[C@@H]1CCOc2c(NC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cccc21 790578101 WYKOPQADUVHSJA-XCGNWRKASA-N 443.519 4.231 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C 791246601 OYAILKHACSATME-UHFFFAOYSA-N 448.567 4.491 10 20 IICD Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C(=O)NCC(F)(F)F)cc1F 793987315 JMZAFHQKDZDSGT-UHFFFAOYSA-N 448.420 4.481 10 20 IICD CCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)c1C 800048348 YXKJHBJLSNDPMW-UHFFFAOYSA-N 435.908 4.344 10 20 IICD CCCCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1 800742385 JODYVOJVDISZJK-UHFFFAOYSA-N 434.588 4.022 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 801548679 LQMUUSUULXJHQN-UHFFFAOYSA-N 439.581 4.261 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 804587686 WTJPGEMLUCXGSE-SFHVURJKSA-N 427.614 4.479 10 20 IICD CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)cc(Cl)c1O 806139944 SRDMYCFKIKZGPM-LJQANCHMSA-N 443.396 4.175 10 20 IICD Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(F)cc1Br 806856323 HCJARXWAJSDNSK-UHFFFAOYSA-N 448.336 4.092 10 20 IICD O=c1c(Cl)c(NCc2cc(Cl)cc(Cl)c2O)cnn1-c1ccc([N+](=O)[O-])cc1 808090162 RKVYOIAKTYQXIS-UHFFFAOYSA-N 441.658 4.419 10 20 IICD Cc1nn(C)c2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)ccc12 812983775 GRNIXBRFGAFUSC-KRWDZBQOSA-N 427.508 4.197 10 20 IICD Cc1cc(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)c(C)n1-c1cccc(C(C)C)c1 817118560 PEEASCPWNAJLIM-UHFFFAOYSA-N 446.551 4.075 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OCC 915222696 SZYOAGBIWGJCBH-UHFFFAOYSA-N 434.539 4.417 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3nc(C(F)(F)F)cs3)cc2F)C[C@@H](C)O1 916671130 CEPUTYOPMGNAKI-GHMZBOCLSA-N 432.443 4.236 10 20 IICD Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])n2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 917253976 BKPKBCFQYYQMBD-UHFFFAOYSA-N 427.770 4.149 10 20 IICD O=C(c1ccccc1)c1ccc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 917364098 DIZUCTCIRCNRKY-DEOSSOPVSA-N 445.515 4.210 10 20 IICD Cc1nc(-c2ccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)cs1 918032661 GRYNWZOQKVCCTM-IBGZPJMESA-N 449.580 4.142 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2C)c1 919525813 WMJUQWQVXUPUFN-UHFFFAOYSA-N 447.535 4.315 10 20 IICD CCCOc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920180028 MCMMDGWEXXLJHH-UHFFFAOYSA-N 435.547 4.021 10 20 IICD Cc1sc2ncnc(N3CCC(C(=O)Nc4c(Cl)ccc5nonc45)CC3)c2c1C 1323707410 NXVUYDUXPQRXJT-UHFFFAOYSA-N 442.932 4.353 10 20 IICD CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740092 HVLXALGOYXQFCG-SFHVURJKSA-N 436.980 4.421 10 20 IICD Cc1cccn2cc(COc3ccc(C(=O)N4CCOc5cc(N(C)C)ccc54)cc3)nc12 437013774 CHHLSONIYZDBJO-UHFFFAOYSA-N 442.519 4.327 10 20 IICD O=C(Nc1ccn(-c2ccccc2)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726695393 UBOBIFVNRLAOOF-UHFFFAOYSA-N 427.455 4.264 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCN(CCc4ccccc4)C3)c2C)cc1 728556809 XDAKEJUNTZUDOX-HSZRJFAPSA-N 431.580 4.397 10 20 IICD CCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 731116026 CWPSDAMEHWPRAM-LJQANCHMSA-N 443.510 4.033 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(N4CCOC4=O)cc3)cc2)CC1 731116345 NYSMNPYIRADAOA-IBGZPJMESA-N 436.556 4.440 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C(C)(C)S(C)(=O)=O)n3)c2C)cc1 733089425 GOOGQMYACCLISQ-UHFFFAOYSA-N 431.583 4.288 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)c1O 737278158 FMCTWAUIWYYVFA-UHFFFAOYSA-N 440.883 4.410 10 20 IICD CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 740847511 GTHZFZUEXQMQKP-UHFFFAOYSA-N 429.586 4.254 10 20 IICD COc1ccc(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1 743565033 RYNAOTRXLFFRID-UNMCSNQZSA-N 437.584 4.257 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1nccn1C 745400608 MWKPAOXYPKHKIV-HSZRJFAPSA-N 435.572 4.204 10 20 IICD Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)CO1 745592901 MJUXOCPKPJYGPZ-AUSIDOKSSA-N 425.598 4.220 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3ncccc3c2)nc1-c1cccc([N+](=O)[O-])c1 747856207 GVBGOLBRQYNEHZ-UHFFFAOYSA-N 426.479 4.376 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)c(Br)cc1F 753319388 UIZVHJIPBWTKSK-UHFFFAOYSA-N 440.288 4.228 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c(C)n1-c1ccc(F)cc1 753701854 WZCWIHMNJNZHEY-TZIWHRDSSA-N 428.529 4.259 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC3CC(c4cccc(Br)c4)C3)cc2)C1 762606917 QTDOBZBVUJARSN-LWEYNCJUSA-N 442.401 4.187 10 20 IICD C[C@H](NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1)c1ccc(N2CCOCC2)cc1 764357392 VKBHQYWCHJSZLA-YADHBBJMSA-N 442.648 4.270 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1cccc(Br)c1O 765754908 YBRYZAKYLLOXKC-UHFFFAOYSA-N 435.299 4.300 10 20 IICD CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(N2CCOCC2)c(F)c1 768903298 MARWZTGUMGZQEA-UHFFFAOYSA-N 426.511 4.256 10 20 IICD Oc1c(Br)cccc1CN1CCO[C@H](c2cccc(Br)c2)C1 769154763 UGJJFURBBCKRIH-INIZCTEOSA-N 427.136 4.491 10 20 IICD O=C(Nc1ccc(-c2cnco2)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769707195 ZNWVRCQPZGLBGW-UHFFFAOYSA-N 441.490 4.162 10 20 IICD CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 769879404 NTWNJYWWOPAEDY-QHCPKHFHSA-N 430.976 4.269 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(Br)cc3C)CC2)cc1F 771234226 SVENEXKGUXLCRO-UHFFFAOYSA-N 440.288 4.398 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1 771815278 NYQLFWMWHRQXGO-UHFFFAOYSA-N 430.552 4.080 10 20 IICD CN1CCC(N(C)CCN(C)C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 772692720 KHDJHEBYTHHUFF-UHFFFAOYSA-N 436.604 4.266 10 20 IICD COc1ccc(CCn2c(C)cc(C(=O)COC(=O)/C=C\c3ccc(O)c(O)c3)c2C)cc1 772767676 DKJGYPYQLBGMSY-XFFZJAGNSA-N 449.503 4.207 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773185291 OCXGEPURUBVMIT-UHFFFAOYSA-N 425.838 4.214 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 774657863 LVXNSRORHJUOFV-UHFFFAOYSA-N 446.376 4.117 10 20 IICD CO[C@H]1Cc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc2C1 783483105 NEDDLFJQAXLXIU-OSPHWJPCSA-N 429.520 4.115 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(N)cc1 783487701 YLJMRTLGMZEGRP-SFHVURJKSA-N 442.519 4.129 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786272163 ZQZRKMGXCRMMHV-UHFFFAOYSA-N 441.959 4.374 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 788928259 CTZCNHXIQUYGIZ-UHFFFAOYSA-N 444.579 4.081 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(N(C)C)cc1C(F)(F)F 792776024 OALJBWXQAFKFNY-UHFFFAOYSA-N 436.478 4.190 10 20 IICD CC(C)c1ncc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 794411165 BMMYLOAMLBYFCG-DHDCSXOGSA-N 432.596 4.282 10 20 IICD Cc1cc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1Br 796274852 CNGKUVKMJMQOKM-GDBMZVCRSA-N 436.419 4.372 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)c(O)c1 797390301 CPGNBVPGLVBVJF-UHFFFAOYSA-N 442.924 4.460 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Br 798973708 UWRFENIRBIWRHE-UHFFFAOYSA-N 449.364 4.143 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3scnc3C3CC3)cc2Cl)C1 800636309 IWCBCFZHEYHGSQ-ZDUSSCGKSA-N 432.977 4.165 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(C)CCc2nc(-c3ccccc3)no2)cc1F 805093418 BFUFJGHHNOWMEZ-UHFFFAOYSA-N 425.508 4.106 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H](CCO)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 806457222 GWCXBUWYRPIGRP-VWKPWSFCSA-N 449.954 4.016 10 20 IICD O=C(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(N=Nc2ccccc2)cc1 810070326 RAJSIQGAKWSYGZ-INIZCTEOSA-N 447.461 4.431 10 20 IICD Cc1csc(Nc2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)n1 810164756 GRLPGDXOYLVRPX-UHFFFAOYSA-N 436.581 4.334 10 20 IICD CC(C)OCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 810489467 IOPFTGZCDGWDSF-HNNXBMFYSA-N 436.472 4.226 10 20 IICD COC(=O)c1cccc(Br)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 814627659 PPHZNBPKRUNTIL-MRXNPFEDSA-N 434.330 4.123 10 20 IICD COc1cc(O)c(CN2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 816633408 AYOJMMGMZPVOJA-QZTJIDSGSA-N 434.577 4.269 10 20 IICD O=C(NCc1cc(Cl)ccc1O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 857547597 LNTGFBIUCADRBT-SFHVURJKSA-N 429.731 4.042 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc(-c2ccc(Cl)cc2)n1 917708895 LQBVOXHWVGIVSH-UHFFFAOYSA-N 431.920 4.369 10 20 IICD COc1ccccc1N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 917776755 DIELWHXAADURHQ-GHRIWEEISA-N 432.592 4.401 10 20 IICD CCC(CC)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 918116811 AOKNDEUEXXDKEF-VWNXMTODSA-N 436.600 4.365 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cccn3Cc3cccs3)cc2F)C[C@H](C)O1 918324784 XMCRVCMWJJXXGZ-IRXDYDNUSA-N 427.545 4.281 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cncnc3C)c2C)ccc1Br 1115882990 MZTZVCFRYQWDBN-UHFFFAOYSA-N 442.313 4.303 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4c(OC(F)(F)F)cccc4[nH]3)CC2)cc1 1317912560 REPKDFNYMGWEKD-UHFFFAOYSA-N 433.430 4.428 10 20 IICD Cc1cc(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1319911159 FIRYHLYXXBNOFY-UHFFFAOYSA-N 449.935 4.188 10 20 IICD O=C(Cc1coc(-c2ccccc2)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1322109995 HVPMIFXYYJSUIH-KRWDZBQOSA-N 427.451 4.271 10 20 IICD CCOc1ccc(N2CCN(Cc3csc(-c4ccc(O)c(OC)c4)n3)CC2)cc1 1323178559 YUFHKTTWJWXZRM-UHFFFAOYSA-N 425.554 4.245 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 18981312 HVJBQSDSIVTIQC-UHFFFAOYSA-N 436.533 4.189 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1 21371411 XWHPIKLNFRXOOY-UHFFFAOYSA-N 438.553 4.174 10 20 IICD Fc1ccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)cn2)cc1 237947708 LHVNFCICQORSHY-UHFFFAOYSA-N 434.437 4.157 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(Cc3ccc(-n4cncn4)cc3)C3CC3)ccc21 554976366 WIONVBJQXSEDBE-UHFFFAOYSA-N 443.551 4.290 10 20 IICD COc1ccc(N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C(C)C)cc1F 725816041 ZOUVIMPJXIXKPM-HXUWFJFHSA-N 428.504 4.184 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 726696048 OJXSXTKLBXAIRT-UHFFFAOYSA-N 436.556 4.112 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1 726696134 QHYKLXWZTUQALB-UHFFFAOYSA-N 437.519 4.427 10 20 IICD Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 727216303 ZWCJUYKWMZRZKB-AWEZNQCLSA-N 431.419 4.094 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 729174304 CQQMOEVGNXLZEV-KBMIEXCESA-N 433.596 4.243 10 20 IICD COC1CCN(C2(CNC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CCCC2)CC1 730914829 VEKXNZVWGHKKED-UHFFFAOYSA-N 442.648 4.242 10 20 IICD CC[C@@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4C[C@@H](C)O[C@H](CC)C4)c23)C[C@H](C)O1 732185362 PABABNXGTZOHRL-KOUHRCEDSA-N 442.600 4.250 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)c1 732477763 QSAAYJPXXBAUDW-UHFFFAOYSA-N 443.547 4.211 10 20 IICD COc1ccc(Br)c2[nH]c(C(=O)NCCCSc3nccs3)cc12 733973078 UBLOUTNXGUVCAH-UHFFFAOYSA-N 426.361 4.308 10 20 IICD Cc1cc(NC(=O)NCCCSc2nccs2)n(-c2ccc(C(F)(F)F)cn2)n1 734513164 SYCSNXPPAVKXHW-UHFFFAOYSA-N 442.492 4.355 10 20 IICD CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc21 734740136 KRSCQNACGDTQSV-UHFFFAOYSA-N 433.942 4.173 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(N2CCCCCC2)c1 741071575 DQMBABLLMQRXAD-UHFFFAOYSA-N 426.536 4.364 10 20 IICD Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C2CCCCC2)n1 742801039 WYMCMPXRIWZJLY-QGZVFWFLSA-N 432.515 4.468 10 20 IICD C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 743091619 HWHVRSFEPRLUGR-OAHLLOKOSA-N 426.473 4.497 10 20 IICD O=C(Nc1ccc(Cn2cccn2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743126287 CHMYEMUIMJFOFS-IBGZPJMESA-N 441.482 4.323 10 20 IICD Cc1cccc2oc(CCNC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc12 743708432 DGAHQZSKVWYUBW-MRXNPFEDSA-N 444.482 4.248 10 20 IICD CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2NC1=O 745932770 SFEBCTWMBMDARW-ZHRRBRCNSA-N 436.556 4.297 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)cc1[N+](=O)[O-] 752190772 KEAYFHBWHQLGFW-UHFFFAOYSA-N 432.508 4.437 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC)cc1C(=O)OC 752714622 MEJYYFGVBZJWBN-UHFFFAOYSA-N 437.290 4.004 10 20 IICD CO[C@H]1Cc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2C1 752945495 VNGQZRRHKAPAAX-NRFANRHFSA-N 431.483 4.192 10 20 IICD C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 753267454 JUDQKYLMHHYHCL-KUHUBIRLSA-N 425.426 4.326 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1F 753862189 MVPFISZABZFYGX-UHFFFAOYSA-N 426.261 4.090 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 754160612 AVFGEYCLWHKOFH-UHFFFAOYSA-N 432.568 4.414 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N[C@H](c1ccccc1)c1cccs1 756337946 ZHRXULLUSSAYNU-SQJMNOBHSA-N 436.577 4.341 10 20 IICD Cc1cc(C(=O)COC(=O)c2cncc(Cl)n2)c(C)n1-c1ccc(OC(F)F)cc1 758624122 MVUFOUOKHMKMEF-UHFFFAOYSA-N 435.814 4.179 10 20 IICD CC(C)C[C@H](CCC(=O)N(C)Cc1ccccc1O)C(=O)N(C)Cc1ccccc1O 759224830 UTJBFPCVAOQXBH-IBGZPJMESA-N 426.557 4.157 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C(C)C)CC2)cc1 764404296 JNUYSIIZJSTZRB-UHFFFAOYSA-N 431.536 4.405 10 20 IICD Cc1nc(CCOC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cs1 767552492 ZTFMQHMBSIEWCL-GDNBJRDFSA-N 438.621 4.280 10 20 IICD O=C(Nc1ccn(-c2ccccc2Cl)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 769006248 BKLPPAMCSAYURY-KRWDZBQOSA-N 426.904 4.444 10 20 IICD CC(C)Cc1nnc(NC(=O)CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 769465428 ZMBIVNIFCONDBX-UHFFFAOYSA-N 443.617 4.104 10 20 IICD Cc1ccc(Cl)c(NC(=S)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c1Cl 769794717 OWOPIYLELBDNTQ-UHFFFAOYSA-N 440.360 4.216 10 20 IICD C[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)c(Cl)cc1O 774256507 XLVUAYCXIBBUCC-AWEZNQCLSA-N 443.396 4.344 10 20 IICD Brc1ccc(Br)c(CNCc2ccc(N3CCOCC3)cc2)c1 775364181 LMNRRHMZJJNHMC-UHFFFAOYSA-N 440.179 4.338 10 20 IICD C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc(N(C)C)cc1 775407736 UXABHOYTLMOFDP-ZDUSSCGKSA-N 431.309 4.331 10 20 IICD CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Br)ccc1O 775491362 IVXFQYWEICGLJA-ACJLOTCBSA-N 441.391 4.207 10 20 IICD COc1ccc(OC)c(-c2csc(NC(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)n2)c1 775833912 HJENFPKJFITLCM-HNNXBMFYSA-N 440.569 4.183 10 20 IICD Cn1cnc(-c2cccc(NCc3cc(Br)cc(Br)c3O)c2)n1 775974412 JKHXAOCQJSFQPW-UHFFFAOYSA-N 438.123 4.325 10 20 IICD CCN(CC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1)C(=O)OC(C)(C)C 776239563 ULMUQKIFPJEQPR-SFHVURJKSA-N 432.609 4.492 10 20 IICD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCCCSc1nccs1 776515242 DNMWFABAHPQKAK-GJZGRUSLSA-N 428.624 4.103 10 20 IICD COc1ccc(N2CCN(C(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)CC2)cc1F 777410946 WZWSNIKGVPVBLB-UHFFFAOYSA-N 442.531 4.012 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 779489973 UVVGJAXSXDUKSG-QRBZPYHOSA-N 434.458 4.024 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 782739910 GQAANSWCWFEUAF-UHFFFAOYSA-N 440.613 4.384 10 20 IICD Cc1oc2c(CN3C[C@H](C)OC4(CCOCC4)C3)c(O)ccc2c(=O)c1-c1ccccc1 790383665 FJVAGAFGPSMYLK-KRWDZBQOSA-N 435.520 4.244 10 20 IICD CC(C)Oc1cc(F)ccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 790519922 QHRGUSZFFAYVEC-CALCHBBNSA-N 448.510 4.061 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3cccc(Cl)c3)CC2)c1 794684722 YSSFCDUFSYQOHP-UHFFFAOYSA-N 442.987 4.460 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1 799947085 UULPOIGHAFOSFQ-CLJLJLNGSA-N 432.564 4.247 10 20 IICD CCOC1CC(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 803272856 HOLOHOMDTJKAKI-WJDWOHSUSA-N 425.597 4.088 10 20 IICD C[C@@]12CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C[C@H]1C2(Cl)Cl 806685593 VLUAVAKSSUWLEZ-VQIMIIECSA-N 448.341 4.482 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)cc1OCC(F)F 806826875 XWWGJRMQJKCJIO-UHFFFAOYSA-N 425.863 4.142 10 20 IICD CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc2c1C 808114475 ZWSVIOTZWVXGGO-UHFFFAOYSA-N 427.837 4.217 10 20 IICD C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cc(Br)cc(Br)c1O 808729507 KWBZPCYVOXZNPL-UNLTUULFSA-N 443.135 4.062 10 20 IICD CC(C)c1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 914446353 PTYWTCLZNBVGKV-XFXZXTDPSA-N 438.625 4.343 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccc(F)c(F)c1 914477562 VGTHBUCAAPCTLP-YBEGLDIGSA-N 438.546 4.324 10 20 IICD C[C@@H]1c2cccn2CCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914608321 XFVFSOFLBIWISO-CPZHOGDASA-N 431.608 4.134 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3c(F)cc(F)cc31)c2[N+](=O)[O-] 915158525 JQJRVOJYSLQWRT-UHFFFAOYSA-N 448.381 4.241 10 20 IICD COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916026108 WGKNQJALCJBYLL-UHFFFAOYSA-N 425.476 4.037 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1 917190805 XCKYUHOLJCVHMH-IAGOWNOFSA-N 428.573 4.337 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)cc2F)C[C@@H](C)O1 918223125 YAJZBSNDKWWGJE-HDICACEKSA-N 441.547 4.234 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)cc1 918624739 FYPNRHRMPFRVLK-UHFFFAOYSA-N 441.572 4.465 10 20 IICD CSc1nccn1-c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 919897235 NXVUJPZOEZACKS-UHFFFAOYSA-N 447.608 4.379 10 20 IICD COc1ccc(-n2ccc(CNC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n2)cc1 919916181 DJINDXGIPYTVGW-UHFFFAOYSA-N 433.556 4.213 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3SC(F)(F)F)cc2F)C[C@@H](C)O1 920281674 BZHYZWZFVOOJRM-CHWSQXEVSA-N 443.466 4.376 10 20 IICD CCN(CC)CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920871582 BSNDBFGRKVWXGB-HXUWFJFHSA-N 440.588 4.127 10 20 IICD CCOc1ccc(N2CCN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)CC2)cc1 1319611611 FFHGAYSLOLXJTE-UHFFFAOYSA-N 432.446 4.075 10 20 IICD COC(=O)c1cccn2cc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)nc12 71844552 IOGALGPVIXBHAL-IBGZPJMESA-N 448.548 4.456 10 20 IICD COc1ccc(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726611128 OZTDHSQBTOLUQU-UHFFFAOYSA-N 433.499 4.197 10 20 IICD Cn1cccc1[C@H]1CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 734237476 WRKUCXZKDGBCRZ-OLCHLOJWSA-N 445.635 4.432 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccnc(N3CCCCC3)n2)c(C)n1-c1cccc(F)c1 740320178 FLZZCDKNKAMCAY-UHFFFAOYSA-N 436.487 4.053 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 742279307 TUQPXBXYOAIPHC-UHFFFAOYSA-N 444.340 4.321 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)on2)NC(=O)OC(C)(C)C)cc1 742754983 TVHQPYFCVSGGKQ-GOSISDBHSA-N 430.549 4.034 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 745899499 RQWLFRWJNLBJMU-AWEZNQCLSA-N 437.334 4.162 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 750066351 IOAKQTUCUZYAPG-NRFANRHFSA-N 427.501 4.106 10 20 IICD Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)C 751082025 OCXARKLHKYDIRI-REWPJTCUSA-N 436.600 4.283 10 20 IICD CC(C)N1CCN(c2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)CC1 751302085 IQRWZFOLMKZLGS-UHFFFAOYSA-N 440.551 4.179 10 20 IICD COCCN(CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1ccc(OC)c(OC)c1 751483111 PRAPTYNMZMAMJN-UHFFFAOYSA-N 441.355 4.122 10 20 IICD COc1cccc([C@H]2C[C@@H](C)CN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 753110568 ZBSPETAKOAMOMW-MZNJEOGPSA-N 441.547 4.088 10 20 IICD C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(S(C)(=O)=O)cc1 753196752 XBWKLILXXSWHFG-GOSISDBHSA-N 440.565 4.082 10 20 IICD COc1ccc(N2CCN(CCCN[C@H](c3ccc(F)cc3)c3ccccn3)CC2)cc1 753613684 YLCHCVSGEMFFSC-AREMUKBSSA-N 434.559 4.121 10 20 IICD C[C@@H](NC[C@@H](O)c1ccccc1F)c1cc(Br)cc(Br)c1O 756460315 PHPBNZOIMHYHOU-RFAUZJTJSA-N 433.115 4.441 10 20 IICD C[C@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O 757639223 NSJHHJADFBZPIG-KBXCAEBGSA-N 437.353 4.101 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 757728633 HMRSXGXBUROVOV-QHCPKHFHSA-N 425.573 4.351 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 758158519 IUYPOYCHWCFEJF-UHFFFAOYSA-N 429.520 4.048 10 20 IICD COc1cc(N2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)cc(OC)c1OC 759239699 OQPGRMJIZPSDCD-UHFFFAOYSA-N 449.551 4.346 10 20 IICD CN(C)c1ccc(CNCc2cc(Br)cc(Br)c2N)cc1F 765929877 WLFDADOLGIIRND-UHFFFAOYSA-N 431.147 4.289 10 20 IICD COc1ccc(N2CCN(CCNC(=O)Nc3cc(C(F)F)ccc3Cl)CC2)cc1 769013272 XJRSSWFMIHADKS-UHFFFAOYSA-N 438.906 4.230 10 20 IICD CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)no2)c1 770721949 DDAKWKLQWGCBHV-UHFFFAOYSA-N 433.508 4.377 10 20 IICD C[S@](=O)c1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 770883024 RKPNMVQSIILKLR-YTTGMZPUSA-N 447.604 4.041 10 20 IICD Cc1ccncc1[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 771387047 KJXZVJMEJOZBOE-FMNVXAMXSA-N 431.608 4.310 10 20 IICD C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 776237801 IRFOQXVGCUFXMG-NTKDMRAZSA-N 430.552 4.363 10 20 IICD Oc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@H]2SCCS[C@H]12 776257655 ZWLQZASFIYRDMB-YRGRVCCFSA-N 439.238 4.386 10 20 IICD C[C@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 777939542 DZRCTQACVOSQLZ-BTYIYWSLSA-N 434.367 4.286 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1ccccc1OCc1ccc(Br)cc1 778924024 VPGJTVSFIOZLGW-UHFFFAOYSA-N 428.282 4.369 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 779513529 INLAQCKMDDQMAK-UKTHLTGXSA-N 425.488 4.339 10 20 IICD CC[C@@H](CO)N(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 779553549 CVWXOMXOZDXBMQ-FQEVSTJZSA-N 447.526 4.240 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(C)c3Br)CC2)cc1 786742680 AKMLQQAMYVGQAB-UHFFFAOYSA-N 432.362 4.234 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnc(-c4ccc(Cl)cc4)s3)cc2)C1 790530499 IXOITUAFPKPKNI-SFHVURJKSA-N 441.000 4.455 10 20 IICD COC(=O)c1csc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 796693183 FTSLLAYKRRSXQH-CYBMUJFWSA-N 428.476 4.241 10 20 IICD CC[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc(F)cc1O 796701936 JLBUUOYEULFLOP-JOCHJYFZSA-N 446.519 4.390 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1[N+](=O)[O-] 800636616 LNYQLSAHMSTPRG-CQSZACIVSA-N 444.919 4.048 10 20 IICD O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCc1cc(Cl)cc(Cl)c1O 805135398 KYBWAWFBTJGWED-UHFFFAOYSA-N 430.231 4.217 10 20 IICD COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)c1 805162596 FNPZRUKLIRVKCJ-SNVBAGLBSA-N 437.283 4.318 10 20 IICD C[C@@H](NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1)c1ccc(N(C)C)cc1 807680147 ZZFRSDKRRZRMEY-MRXNPFEDSA-N 429.511 4.179 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)Cc1ncc(I)s1 809539529 UZAGPRJFOFCURN-UHFFFAOYSA-N 427.355 4.370 10 20 IICD C[C@H](NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(N2CCOCC2)cc1 813606907 YAFFPBJXHBFBMB-KRWDZBQOSA-N 447.501 4.487 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 813802446 LZNMBKANIKLEJG-OAQYLSRUSA-N 444.620 4.462 10 20 IICD C[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1O 815659444 BYPBUBNBGTYLDA-LBPRGKRZSA-N 432.767 4.323 10 20 IICD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1O 877856471 SMIAZFABYGFAGF-GOSISDBHSA-N 435.883 4.276 10 20 IICD CCc1nc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cs1 913360469 KSQWOLYPDTYHHJ-ZROIWOOFSA-N 438.621 4.492 10 20 IICD COCCOc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1OC 916677690 FGPOLFDQQJIRFL-UHFFFAOYSA-N 426.469 4.253 10 20 IICD CC(C)(C)c1nc2cc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2o1 918224635 RWUKSLHCIWCVHS-UHFFFAOYSA-N 426.492 4.423 10 20 IICD CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1OCC(=O)NC 918634792 QSXJSHPREJLRDQ-QFIPXVFZSA-N 437.515 4.239 10 20 IICD Cc1oc(CO)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 10725066 PNRMUEUJOXMNKR-UHFFFAOYSA-N 446.297 4.290 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(OC(F)F)cc1)c2[N+](=O)[O-] 11479687 LXPGLYOVGAJTBK-UHFFFAOYSA-N 438.342 4.224 10 20 IICD Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13067055 IOFNPLDDAVXXPP-ODLFYWEKSA-N 449.557 4.193 10 20 IICD CCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1 45932875 ILQNRGLPCZHKJD-UHFFFAOYSA-N 437.565 4.318 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2F)C[C@@H](C)O1 108448048 QSPBGDBMYIANEL-RRQZXNHTSA-N 448.542 4.423 10 20 IICD CSc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 216343360 KXEZRCNJLIAMEY-LJQANCHMSA-N 429.542 4.204 10 20 IICD COCCOc1ccc([C@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1OC 471613325 JHMYFTHZPGNUFI-KRWDZBQOSA-N 425.529 4.081 10 20 IICD O=C(CC1CCCCC1)NCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 726301374 UKDPDXWMNGSEBB-UHFFFAOYSA-N 435.528 4.243 10 20 IICD COc1ccc(N2CCC(NC(=O)CCOc3ccccc3Br)CC2)cc1 726561804 SQIFTINHCAIEOA-UHFFFAOYSA-N 433.346 4.012 10 20 IICD FC(F)Oc1ccc(N2CCC(NCc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)cc1 726608251 VHHBTVLNXCXWJH-UHFFFAOYSA-N 442.466 4.165 10 20 IICD COC(=O)c1ccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)cc1 726626387 FLXNAANHPZRIFY-CYVLTUHYSA-N 426.563 4.201 10 20 IICD O=C1/C(=C/c2cnn(-c3ccccc3)c2)SC(=S)N1CCc1ccc2c(c1)OCCO2 726802186 WCXIZBYEAYGAKT-BKUYFWCQSA-N 449.557 4.087 10 20 IICD C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 728469453 QPYRIJGVOWOJJW-GOSISDBHSA-N 449.526 4.137 10 20 IICD CCOCc1cc(CN[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)ccc1OC 729682921 ILVQNCREVIRVSQ-LJQANCHMSA-N 429.580 4.364 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1 731687664 OFKSBFRPGIKRRB-APWZRJJASA-N 431.964 4.469 10 20 IICD Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CCC2 732452016 XRHLSJUPUCHRKA-ZSDSOXJFSA-N 446.592 4.423 10 20 IICD C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 733519834 DKDYPZBVDWRYNY-MRXNPFEDSA-N 436.474 4.467 10 20 IICD Cc1cc(-c2ccccc2)ccc1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 738897534 WHWDQVQHCJXBBP-UHFFFAOYSA-N 449.576 4.219 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 741088340 RGUMXEFFCMLFCX-LJQANCHMSA-N 441.535 4.271 10 20 IICD Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 741734194 AGAQXBDQEWDOMC-QGZVFWFLSA-N 446.389 4.053 10 20 IICD CCc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1S(N)(=O)=O 742421350 INCODYLBDVJKLC-UHFFFAOYSA-N 431.945 4.210 10 20 IICD Cc1cccc(O[C@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742751063 RCFXAGSEJNUZQL-GCJKJVERSA-N 441.572 4.211 10 20 IICD CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)C[C@H]1CCN(Cc2ccccc2)C1 743402638 NHTBEYTVPVAIHF-OAQYLSRUSA-N 430.548 4.283 10 20 IICD CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 743430937 RQYZJBFQDFVVID-UHFFFAOYSA-N 433.913 4.275 10 20 IICD CC(C)c1nc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 743581495 YPFDUSMTFHOPTO-OAHLLOKOSA-N 438.544 4.379 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccccc2F)C1 745903599 HSKIWZAJTFWDDX-IERDGZPVSA-N 449.473 4.179 10 20 IICD CN(c1ccc(CNC(=O)NCCCNC(=O)c2cccs2)cc1)C1CCCCC1 748826483 PDXOTVDSWMMDHF-UHFFFAOYSA-N 428.602 4.136 10 20 IICD Cc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752850244 IQCFZQUBLFMCFE-URXFXBBRSA-N 449.599 4.250 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3cc(C)sc3Br)cc2F)CC1 760521720 XBUUWOWAVHCLKY-UHFFFAOYSA-N 440.382 4.030 10 20 IICD COc1ccc(N2CCN(Cc3ccc(OC)c(OCc4cccnc4)c3)CC2)cc1F 770304843 AIMFYOVPWLCBJS-UHFFFAOYSA-N 437.515 4.139 10 20 IICD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 773849164 XGNWEENAAKCMJV-SFHVURJKSA-N 433.556 4.186 10 20 IICD COc1ccc(Br)cc1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 774868641 GQIGQDHKAUESHC-HNNXBMFYSA-N 437.290 4.417 10 20 IICD CC[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1O 775507565 NFQLAWDZJDUXJF-KRWDZBQOSA-N 426.376 4.448 10 20 IICD C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 777219115 DEXMVEGBSHDEHX-LJQANCHMSA-N 425.548 4.390 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](c3ccccc3)c3ccco3)cc2)CC1 785551987 SNKVMJCIHILFIE-XMMPIXPASA-N 431.536 4.038 10 20 IICD C[C@@H](NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(N(C)C)cc1 785603306 TVTYXWSESWILGZ-QGZVFWFLSA-N 435.499 4.178 10 20 IICD Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)cs1 788466115 SZDHDDSTBQVJSE-HZPDHXFCSA-N 436.581 4.239 10 20 IICD CC1(C)CC[C@H]2C[C@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c3cccc1c32 788909232 FAOSWARVUGXTAR-CVDCTZTESA-N 431.580 4.319 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cn1 790106623 RCUGYFRLANHVFT-SXGWCWSVSA-N 437.949 4.363 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@@H](c3ccnn3C)C2)NC(=O)OC(C)(C)C)cc1 790491681 XDLWZLRJNIVELR-SJBKTWHCSA-N 441.620 4.368 10 20 IICD O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCc1ccc(F)cc1 790589889 GSXYHYLTGNLRSF-XSFVSMFZSA-N 446.544 4.245 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)c1cccc(C(F)(F)F)c1 796744021 KUUUEAMOLAJUID-MAUKXSAKSA-N 444.400 4.125 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 797627361 ARWVYOWQNZQUNJ-OAHLLOKOSA-N 429.517 4.217 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(SC)cnn1-c1ccccc1 802609423 BDVWAJXNRGRUDY-UHFFFAOYSA-N 438.553 4.067 10 20 IICD CO[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1 802754257 NOIGDTJZJSNHKP-UNMCSNQZSA-N 435.572 4.004 10 20 IICD CC[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc(Cl)cc(Cl)c1O 806137673 QQXWHDWVTXIGLJ-GOSISDBHSA-N 437.371 4.037 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1 806742968 FYGJPUBUFJATMG-UHFFFAOYSA-N 432.515 4.312 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(CS(=O)(=O)c2ccccc2)o1 807838408 QLOFHMMAMTZRTN-UHFFFAOYSA-N 440.304 4.196 10 20 IICD CC(C)c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 810269344 FRLNLBFEEUOJMT-UHFFFAOYSA-N 433.556 4.496 10 20 IICD Cc1cnn([C@H]2CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)C2)c1 811957954 NQYOPKIKCARGCS-IBGZPJMESA-N 427.346 4.449 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OC(F)F)c(F)c1 815257348 JNSZBJIQOUYLRM-UHFFFAOYSA-N 430.373 4.427 10 20 IICD CC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 822234549 ZDFWVNGRJQICJB-HXUWFJFHSA-N 444.443 4.260 10 20 IICD O[C@H](COc1ccc(F)cc1)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 836233134 DGUYUNYACXIAKZ-TZIWHRDSSA-N 428.529 4.400 10 20 IICD COc1ccccc1CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 857472304 JZKQGBDELIFISS-FQEVSTJZSA-N 430.976 4.404 10 20 IICD CC(C)NC(=O)CSc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 914483947 BIMHWZODMHEYMO-UHFFFAOYSA-N 425.598 4.174 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1Cl 915219959 WONGILZFFLADKW-UHFFFAOYSA-N 439.902 4.490 10 20 IICD CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1 916233538 ZZBPBGKNRJTWQQ-UHFFFAOYSA-N 429.527 4.393 10 20 IICD CC(C)OCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)oc2ccccc12 917707412 DSTVWYWUGPAPTO-UHFFFAOYSA-N 426.488 4.264 10 20 IICD CC(C)Oc1ccc(CC[C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 918015924 GYVRRAIIFITSJG-NRFANRHFSA-N 439.600 4.473 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1c(F)cccc1F 918024104 SOVXHHHBJDELBQ-UHFFFAOYSA-N 431.464 4.350 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)cc1 918434588 QKHXFDRECXUYOH-UHFFFAOYSA-N 431.536 4.367 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1)c1cc(O)c(O)c(Cl)c1 1800730186 LSSVQDTZIKJYSP-REPLKXPHSA-N 440.927 4.194 10 20 IICD CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824347416 XMUUZZQGPPDMDI-KXBFYZLASA-N 436.980 4.421 10 20 IICD COc1ccc(OC)c(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 6287146 NSEGHMAYQFRASH-FQEVSTJZSA-N 429.586 4.148 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1-c1ccc(F)cc1 109701712 HHSVFCLEBKYJDK-QHCPKHFHSA-N 436.531 4.207 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3sc(-c4ccc(C)o4)nc3C)cc2F)CC1 303342051 WFYULMAUBZGVMT-UHFFFAOYSA-N 442.560 4.231 10 20 IICD CCc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c3c2CCC3)cc1 303729595 UUYSVPFAMAOWQW-JOCHJYFZSA-N 445.563 4.450 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3cc(Br)cn3C)ccc21 468163196 HEFBJDCIZVJISI-UHFFFAOYSA-N 432.362 4.278 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 726706352 IKTBSKDKVKJSFZ-ADCHYERDSA-N 441.547 4.159 10 20 IICD O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 727591235 NCMFQFRXUGMLKX-GOSISDBHSA-N 426.904 4.444 10 20 IICD COc1ccccc1C(C)(C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 728746241 RQEYVQZNIRQILJ-IAGOWNOFSA-N 429.536 4.182 10 20 IICD O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 730384813 YHEGSSKKMQCGDM-GOSISDBHSA-N 442.516 4.187 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)CCc2ccccc2F)c([N+](=O)[O-])c1Br 731663715 QZOLRQDZHLLJTI-UHFFFAOYSA-N 428.214 4.092 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 731858682 MEKIPRKUZOBECS-KRWDZBQOSA-N 440.521 4.429 10 20 IICD CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 733151678 KPTCOMUCXDEFKE-QHCPKHFHSA-N 431.536 4.268 10 20 IICD C[C@H](c1ccccc1)N1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 734865399 NFFPTPJTGFYFSC-HXUWFJFHSA-N 438.641 4.265 10 20 IICD COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 738459202 HZDGWAFYRIBCKI-WSTZPKSXSA-N 441.547 4.147 10 20 IICD CC(C)(C)OC(=O)NC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 741436047 UZGTXTOIXXEGIE-IBGZPJMESA-N 429.517 4.000 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1 743284454 MXLAPPVZBLKSFX-WRDGEJPTSA-N 427.547 4.437 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1F 743597579 DSGCFROKOBITJN-CQSZACIVSA-N 429.471 4.421 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nn(-c2ccccc2)cc1OC 743808679 BRRURKLCFLXQMM-UHFFFAOYSA-N 430.302 4.011 10 20 IICD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 746034846 BLIYPRDAGMQMSK-UHFFFAOYSA-N 441.597 4.446 10 20 IICD Cc1cccc(-n2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2C)c1 751405863 NJVNWGGIYKREPI-XMMPIXPASA-N 432.568 4.377 10 20 IICD C[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc2c(c1)CCCC2 751930249 HBJSTSXCWSLKJB-INIZCTEOSA-N 449.576 4.229 10 20 IICD C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)cc(F)c1O 756456637 ICARCYMPEOZIOU-LBPRGKRZSA-N 441.316 4.245 10 20 IICD C[C@H](CCCC(F)(F)F)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 756795651 WKSILERZBCMCKV-LLVKDONJSA-N 434.370 4.221 10 20 IICD CCCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C 760084286 GGQUNFFZXOQWRB-UHFFFAOYSA-N 432.568 4.242 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)c(Br)c1O 761010685 KZLCUSBZMAYUSC-DHZHZOJOSA-N 434.402 4.118 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 763285060 YOJKDJLNPQPRBE-INIZCTEOSA-N 444.487 4.386 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(C(=O)Nc2ccccc2)cc1 765752728 ZIEICPKMNUZPHU-UHFFFAOYSA-N 425.282 4.337 10 20 IICD O=C(Nc1ccc(-c2ncco2)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 767156596 SGDNFGVNXPYIKJ-UHFFFAOYSA-N 441.490 4.162 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)cc1F 768952566 HRPQVMTVDUBCST-UHFFFAOYSA-N 426.517 4.050 10 20 IICD COc1ccc(N2CCN(Cc3ccc(OCC(F)(F)F)c(OC)c3)CC2)cc1F 770308096 YYNYKVKFZCGGQD-UHFFFAOYSA-N 428.426 4.106 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 771053628 OYRYEIRUDSOCII-INIZCTEOSA-N 429.860 4.094 10 20 IICD COc1ccc(I)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 775581077 FWSOOEYMVXTREO-LBPRGKRZSA-N 439.297 4.249 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1nc(-c2ccccc2)ccc1=O 777823866 ZDEFGDVZCJFXJI-FQEVSTJZSA-N 439.515 4.406 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)[C@H](F)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 778287884 FUUKNINBUMORRV-RTWAWAEBSA-N 429.536 4.015 10 20 IICD Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 784058303 OZROZPQUTOTWGX-SPEDKVCISA-N 435.572 4.439 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 784106321 LCNYYEGEDKNCOQ-UHFFFAOYSA-N 444.535 4.405 10 20 IICD C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 788586349 BVHOPKRMSJUFMO-OAHLLOKOSA-N 425.520 4.102 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCN(c3nccn3C)CC2)cc1 793953343 RSIFNIAAJXBTGW-UHFFFAOYSA-N 431.544 4.300 10 20 IICD COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 795276253 NPIXNCUAPLBCTD-UHFFFAOYSA-N 438.509 4.279 10 20 IICD CC[C@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1cccc(Cl)c1O 806127617 HRQJHARBQVFCHM-PMACEKPBSA-N 434.964 4.177 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)c2ccccc12 806493783 DPRVREQXRCABCC-IEBWSBKVSA-N 448.542 4.241 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](Cc1ccccc1)c1sccc1C 807093673 OROSLNLCWILZGL-JOCHJYFZSA-N 435.593 4.147 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)c1 915185102 RIFQQGMYCYEYGD-UHFFFAOYSA-N 440.930 4.290 10 20 IICD O=C(CCSc1ccccc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458290 YVVIQIAVUDSIGP-UHFFFAOYSA-N 442.478 4.480 10 20 IICD CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 917697797 PMXWNGGRLHFPCK-UHFFFAOYSA-N 441.597 4.492 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(c2ccc(Br)cc2)CCC1 917709092 PRTDHBWOIICUPC-UHFFFAOYSA-N 447.348 4.163 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 918082227 NHPJANGZHGZEOH-GOSISDBHSA-N 443.979 4.142 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 919687088 SNEVHNSAPLDPHS-RCJYHZQCSA-N 425.960 4.117 10 20 IICD Cc1noc(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)n1 1116138041 YCSYYVQKVRCLJA-KRWDZBQOSA-N 428.439 4.045 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3OC)c2C)SC1=S 1317742808 LYEXJHKPUVCWSZ-CPNJWEJPSA-N 444.578 4.257 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1318177312 WOJNSRIVBIKZTA-HSZRJFAPSA-N 434.584 4.123 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncoc3[C@@H]3CCCO3)c2C)cc1F 1318523010 WVTMFJGVNGBDDL-FQEVSTJZSA-N 426.444 4.421 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc(Cc2ccc(Cl)cc2)n1 1321783564 NUPJPBVYWLGMOA-UHFFFAOYSA-N 445.947 4.293 10 20 IICD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1cccs1 1791815458 OVOLSWOOUGQEFN-AWEZNQCLSA-N 437.521 4.106 10 20 IICD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cc1O 1845302989 KANQGQYTPJKYCV-UHFFFAOYSA-N 443.547 4.239 10 20 IICD Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(C)n1-c1cccc(F)c1 12656534 KZLIGXYVIHDVEJ-HXUWFJFHSA-N 438.430 4.224 10 20 IICD Cc1ccc2oc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2n1 20407912 DMCIUALLHHKZOT-UHFFFAOYSA-N 429.457 4.037 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N(C)C3CCN(CCc4ccccn4)CC3)c2C)cc1 109794662 BCZMUKAPTSQKAO-UHFFFAOYSA-N 446.595 4.277 10 20 IICD COC(=O)c1csc(-c2cccc(CNC(=O)NCc3c(C)c4ccccc4n3C)c2)n1 472192514 SDXJFQIIJJLCMF-UHFFFAOYSA-N 448.548 4.396 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 726288194 CFKFUFUMJWDSAS-UHFFFAOYSA-N 427.904 4.318 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)CC2)cc1 726609440 ZVMZTOKLYHVFLI-QGZVFWFLSA-N 443.617 4.174 10 20 IICD COc1ccccc1SC[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 728957657 GNVIDKWBMMOZDW-IBGZPJMESA-N 443.613 4.102 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 729063299 IQODRODGGZZBOV-INIZCTEOSA-N 435.480 4.021 10 20 IICD CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731121325 RLVQQUXVQBNQTL-UHFFFAOYSA-N 430.574 4.006 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(-c3ccccn3)c2C)cc1 731885886 ZIIDFIAWPVWJAT-UHFFFAOYSA-N 441.535 4.497 10 20 IICD COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 732910976 WKEMLVSKYSJBMA-UHFFFAOYSA-N 439.902 4.490 10 20 IICD C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccncc2)cc1 733847613 CYRCJMJYIYLRQT-GOSISDBHSA-N 431.540 4.303 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc(-c2ccccc2)o1 740063226 UHHNNKSJFYIXMV-INIZCTEOSA-N 438.503 4.002 10 20 IICD COc1cc(N(C)Cc2nc(-c3ccc(Br)s3)no2)cc(OC)c1OC 741798940 OBRPEZWMNCSBAD-UHFFFAOYSA-N 440.319 4.223 10 20 IICD O=C(NC1CC1)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1 742423349 INBDSPMGOPOQOO-INIZCTEOSA-N 446.454 4.169 10 20 IICD FC(F)Oc1ccc(N2CCC[C@H](Nc3cc(-c4ccccc4)nc4ncnn34)C2)cc1 742423559 PRZSROPPGSOODR-KRWDZBQOSA-N 436.466 4.474 10 20 IICD O=C(Nc1ccc(N2CCCCC2)nc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743098420 RBULLJKIOBMWGV-SFHVURJKSA-N 445.514 4.464 10 20 IICD Cn1ccnc1-c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743141571 VSWCPYSHEWLEON-SFHVURJKSA-N 441.482 4.479 10 20 IICD CC(C)(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743975002 KNTVDVNJWXHPNG-INIZCTEOSA-N 445.510 4.309 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](OC1CCOCC1)c1ccccc1 747417537 TUKKCQZNARFRJE-NLFFAJNJSA-N 435.568 4.187 10 20 IICD C/C(=C/C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1 748383809 AZNBZCISFNHMCO-SSZFMOIBSA-N 434.458 4.377 10 20 IICD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1C 749638442 BZMZTPNXBTYNLX-UHFFFAOYSA-N 437.584 4.338 10 20 IICD C[C@@H](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 749835625 NFAHVFBHAHNKFJ-HNNXBMFYSA-N 428.444 4.294 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1F 752066694 SHINKKYWKJMLHS-UHFFFAOYSA-N 440.906 4.216 10 20 IICD Cc1cc(-c2nnc(N3CCOC4(CCC4)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 752844681 MDADOISNUUOYJE-NRFANRHFSA-N 447.583 4.148 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2)cc1 753287586 MIXSFECTAXTTTL-IBGZPJMESA-N 425.426 4.360 10 20 IICD C[C@@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nccs1 754737909 ONYPOZJGOKSVOK-LQELWAHVSA-N 437.637 4.106 10 20 IICD C[C@H]1CN(Cc2cccc(CN[C@H](C)c3cc(Br)c(F)cc3O)c2)CCO1 756462700 YZDMVCYRQHICRF-LSDHHAIUSA-N 437.353 4.365 10 20 IICD COc1cc(-c2noc(CCCCCN[C@H](C)c3cc(F)cc(F)c3O)n2)ccc1O 756706582 ULQUZTRQGGZOIR-CYBMUJFWSA-N 433.455 4.498 10 20 IICD COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H]1C[C@@H](C)c3c(F)ccc(O)c31)CC2 756707397 ORQXQIFLLAILIU-DNVCBOLYSA-N 442.531 4.052 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(CCN4CCCC[C@H]4C)CC3)CC2)cc1 764352428 HYUMSSMLZNZGHL-OAQYLSRUSA-N 442.648 4.350 10 20 IICD Cc1cc(-c2noc([C@H](C)NC(=O)NCc3cccc(Br)c3O)n2)ccc1F 764798869 WVMNFKHVNJJTLD-NSHDSACASA-N 449.280 4.213 10 20 IICD CCn1c(-c2ccc(F)cc2)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S 764909911 LTZCMTAHOJLMKV-UHFFFAOYSA-N 441.576 4.418 10 20 IICD Cc1ccc(NC(=O)NCc2cccc(Br)c2O)c(OC[C@@H]2CCCO2)c1 765261516 YRKTYRJADZJVLG-HNNXBMFYSA-N 435.318 4.343 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2ccccc2n1 765276671 MXIYUHOTSRVRNK-IBGZPJMESA-N 442.542 4.341 10 20 IICD C[C@H](CCc1cccc(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765281064 NJATUGPJEIIZFZ-LJQANCHMSA-N 437.538 4.192 10 20 IICD C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 765383497 ZAZIRJOBTXWADZ-FQEVSTJZSA-N 427.614 4.312 10 20 IICD C[C@@H](N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 766062976 ZSZKWJXOAUHVDW-AEFFLSMTSA-N 435.490 4.193 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 767785519 KXGSSXCQTLQFFK-NRFANRHFSA-N 442.309 4.339 10 20 IICD COCCOc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 767882028 LMFPOWYVVZPWEI-UHFFFAOYSA-N 431.964 4.148 10 20 IICD O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1N1CCCCC1 768226762 PHAOUZJQWOQNOH-HXUWFJFHSA-N 438.576 4.283 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)c3cccs3)c2)CC1 771638125 ZXZVDDKIIHMGEY-UHFFFAOYSA-N 434.565 4.395 10 20 IICD Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cnn1-c1ccccc1 772477310 QRCXGTLEQYDVDF-UHFFFAOYSA-N 445.567 4.205 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O 773744846 FGBOFGWTSOFPSA-NSHDSACASA-N 446.912 4.132 10 20 IICD C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1ccc(N(C)C)cc1 776244205 FNJHLJRODAYNJE-OAHLLOKOSA-N 449.382 4.288 10 20 IICD CC[C@H](C)Oc1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccn1 777736688 GMZFDCUICLHQRD-INIZCTEOSA-N 448.514 4.329 10 20 IICD CCOc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1C 782424957 KOZZUJUCHKPYFX-UHFFFAOYSA-N 435.524 4.220 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1F 789481268 FMQMUSLFRZQXRU-XIRDDKMYSA-N 444.576 4.287 10 20 IICD C[C@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@@H](CO)C4)ncn3)cc2Cl)C1 799963339 JUNYOAMFNFNWFR-PKOBYXMFSA-N 429.996 4.187 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(N4CCCCC4=O)CC3)cc2Cl)C1 799994162 NWTWEEOPBLIFMY-SFHVURJKSA-N 447.023 4.263 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 802610827 UDQLGXNSYFGJRF-UHFFFAOYSA-N 442.519 4.499 10 20 IICD CN(C)c1ccc([C@H](CN[C@@H]2CCO[C@H](C(F)(F)F)C2)NC(=O)OC(C)(C)C)cc1 806153943 BMJDMTLVUDJBBL-NJAFHUGGSA-N 431.499 4.018 10 20 IICD CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 806458139 VQWQORRYMRFSMF-JOCHJYFZSA-N 429.536 4.088 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ncc(Cc2ccccc2F)s1 806787443 HCBLAOZXWYFSBC-UHFFFAOYSA-N 426.517 4.031 10 20 IICD O=C(Oc1ccccc1)N1CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC1 808680272 JRIMBSPPEPPBQH-QHCPKHFHSA-N 437.584 4.038 10 20 IICD COCCOCc1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 809145254 PGUNLNVDUJIWGS-XSFVSMFZSA-N 431.554 4.433 10 20 IICD COc1cc(N2CCN(C(=O)c3cc4cc(C)ccc4s3)CC2)cc(OC)c1OC 810675776 MGSBWCXYMHZNPK-UHFFFAOYSA-N 426.538 4.198 10 20 IICD CC(C)c1scnc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 811266317 XIMFVZODDCKEPL-CYBMUJFWSA-N 448.500 4.226 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Oc1ccccc1 914037638 QOQWUCIUGLTBJK-XNTDXEJSSA-N 434.336 4.256 10 20 IICD CCNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 915787380 XVHMIMZUTSGJIR-UHFFFAOYSA-N 429.480 4.107 10 20 IICD CCN(CC)Cc1ccccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 916216490 LTWRCKGZWPRMOJ-UHFFFAOYSA-N 426.630 4.081 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OCC 917902669 SUKVLEOJAUFJCA-UHFFFAOYSA-N 439.584 4.482 10 20 IICD COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C(C)C)cc1 918198298 HCPLKQZDXFDOCC-DEOSSOPVSA-N 425.573 4.100 10 20 IICD CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)F 918209986 YOGNNBOFYJWTEL-GOSISDBHSA-N 437.462 4.214 10 20 IICD CCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918289618 ZANYCSNRABWOMM-ROUUACIJSA-N 441.547 4.037 10 20 IICD COc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N(C)Cc2ccccc2O)cc1 918443567 DGPYOUFINRIAQW-UHFFFAOYSA-N 440.883 4.444 10 20 IICD COc1ccc2c(c1OC)CCN(C(=O)Cn1c3c(c4ccccc41)CN(C(C)C)CC3)C2 436025532 HVRIMTQHGVYICN-UHFFFAOYSA-N 447.579 4.010 10 20 IICD O=C(COCc1nc2ccccc2s1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566063 XSRPCRFBLMFAMH-UHFFFAOYSA-N 447.507 4.200 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](C)N3CCC(Cc4ccccc4)CC3)CC2)cc1 732067714 FQOMJJLEXRIDSB-OAQYLSRUSA-N 435.612 4.123 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 734702370 ZJNSYWGARPPBSZ-MHECFPHRSA-N 437.584 4.411 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc3ccsc3s1)c2[N+](=O)[O-] 735461689 MOWDASREDVLEDS-UHFFFAOYSA-N 435.442 4.294 10 20 IICD O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735516473 QCMHVPQMIPQWBL-IBGZPJMESA-N 445.441 4.418 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(OCc2ccccc2)c1 741097694 VUIDSVDPSXZMEX-UHFFFAOYSA-N 441.531 4.205 10 20 IICD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 742476244 PLNNBLUGVBBFLY-HSZRJFAPSA-N 440.563 4.100 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)cc1[N+](=O)[O-] 743046591 ZQKHVEHBLMDKIU-UHFFFAOYSA-N 429.401 4.245 10 20 IICD Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c2cnn(Cc3cccs3)c2n1 743715733 DNGAHFQBDQTVMT-UHFFFAOYSA-N 432.549 4.364 10 20 IICD O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cccc2c1C(=O)c1ccccc1C2=O 744473423 FBVVMIXJPAWILZ-UHFFFAOYSA-N 428.375 4.008 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(CCCCCC4)C3)cc2)C1 745692791 ZUVAWYWVTBDFOT-OAQYLSRUSA-N 426.605 4.034 10 20 IICD CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1ccccc1F 746132664 CHSRHQBIYRBJEG-OALUTQOASA-N 445.554 4.105 10 20 IICD C[C@@H](C[C@H](O)c1cccs1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 752662456 BTMWQHWPTKHDLC-KSSFIOAISA-N 439.528 4.130 10 20 IICD COc1ccc(N2CCN(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1F 753954737 HAPMNDBSLVLNKJ-UHFFFAOYSA-N 440.544 4.032 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(COc3ccc(F)cc3)no2)c1)c1cccs1 758290952 RYHZBSIRXXDHFG-UHFFFAOYSA-N 447.469 4.023 10 20 IICD C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 759872832 GPVFIIHZMGZXSS-QGZVFWFLSA-N 428.960 4.074 10 20 IICD COCCOc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nc2ccccc12 759895193 FHJMUKHEMSDRCA-UHFFFAOYSA-N 439.475 4.222 10 20 IICD CC[C@H](C)Oc1cccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 759957725 QCNDJTKTHWUJEJ-KRWDZBQOSA-N 443.544 4.244 10 20 IICD COc1ccccc1SC[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761246567 LHCBOQWZSLLFGA-CQSZACIVSA-N 434.945 4.247 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 761971778 BOHHGRMYAOXEOI-OZHSZHDQSA-N 442.943 4.326 10 20 IICD CC(C)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 762057083 QUORQBJGMPSVIP-HNNXBMFYSA-N 442.471 4.164 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1 763056404 CINRKXIDNZSWDP-QHAWAJNXSA-N 431.627 4.437 10 20 IICD C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765645263 RNFRXPSEUKOYPV-MBSDFSHPSA-N 430.543 4.152 10 20 IICD O=C(Cc1ccc(Cl)cc1Br)NCc1cccc(Br)c1O 765737738 YHPFXHVEVPRMPS-UHFFFAOYSA-N 433.527 4.430 10 20 IICD O=C(CSc1cccc(Br)c1)NCc1ccc(N2CCC(CO)CC2)cc1 766998431 HPJPYZBFYDZQPI-UHFFFAOYSA-N 449.414 4.066 10 20 IICD CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4C)cs3)ccc21 767677076 WYMSXQPAYYWZFB-UHFFFAOYSA-N 429.523 4.156 10 20 IICD CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 771769577 UIMFPOQIHQDVRW-DEOSSOPVSA-N 438.641 4.046 10 20 IICD CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O 775555857 RKHNQNBYNVSADA-RBUKOAKNSA-N 437.367 4.210 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](OC)c3ccccc3Cl)CC2)cc1 776204914 HQOSOHMRVFBKGU-HTAPYJJXSA-N 431.964 4.347 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)c1ccc(Cl)cc1 777404978 YCXISLOEADKDJG-QGZVFWFLSA-N 428.960 4.074 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3(N4CCCC4)CCOCC3)cc2Cl)C1 799932737 UNWMFDQILVHZNO-LJQANCHMSA-N 449.039 4.021 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(Cc4cscn4)CC3)cc2Cl)C1 799994301 PVAXFKJYGZSZFR-KRWDZBQOSA-N 448.036 4.060 10 20 IICD CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 802654160 GAYJWWQDDZNXPE-HSZRJFAPSA-N 432.565 4.322 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 803773656 LQVFBVIRBDNZGU-QGZVFWFLSA-N 440.565 4.387 10 20 IICD C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 806457675 QXNSFRLBEMHUCB-AREMUKBSSA-N 439.575 4.440 10 20 IICD C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1)c1ccc(N)cc1 807003250 ZPPUGDCVYHGCJT-SFHVURJKSA-N 439.519 4.402 10 20 IICD Cc1cccc([C@H](NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(C)(C)C)c1 807702804 FYOLHONAAWVZGA-GGAORHGYSA-N 438.568 4.112 10 20 IICD Cn1c(O)nc2ncc(-c3cccc(C(=O)NCc4cc(Cl)cc(Cl)c4O)c3)cc21 807838558 XAIGMMIIWZEHKV-UHFFFAOYSA-N 443.290 4.283 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1O 808241059 ZCOBUVFZOBZROW-PZJWPPBQSA-N 449.507 4.291 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)CC)c3)n2)cc1 808529884 XKMZFHNTZCCQJO-UHFFFAOYSA-N 445.566 4.102 10 20 IICD O=C(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(N=Nc2ccccc2)cc1 810070327 RAJSIQGAKWSYGZ-MRXNPFEDSA-N 447.461 4.431 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(Cl)c3)cc2)C1 917596418 WFEFBGQPVJAQPX-AWEZNQCLSA-N 437.396 4.182 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(N3CCCC3)nc2)cc1 919657402 YYXNCKJRMFXVGP-UHFFFAOYSA-N 433.556 4.253 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1C(F)(F)F 919919817 CCBLOASXPFLNIQ-AWEZNQCLSA-N 425.426 4.242 10 20 IICD O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1ccc(N2CCOCC2)cc1 920035277 GGCUOJSPMYLMHM-UHFFFAOYSA-N 433.986 4.221 10 20 IICD Cc1ccc(CN2CCN(Cc3nnc(-c4cc(C)n(-c5ccccn5)c4C)o3)CC2)cc1 1258003780 IXFPIINPUSKWRG-UHFFFAOYSA-N 442.567 4.165 10 20 IICD O=C(Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775496 DPHIXNBLSHFHDI-UHFFFAOYSA-N 444.890 4.391 10 20 IICD O=C(CCC1CCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815051829 XFSBJAMDHYHFFN-QGZVFWFLSA-N 446.935 4.361 10 20 IICD CSc1nnc(CCCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1CC(C)C 104929453 JKZLDWQZBLZHRB-UHFFFAOYSA-N 425.602 4.426 10 20 IICD C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 111133617 BZWKKQKHCLYUCB-FQEVSTJZSA-N 445.563 4.340 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1CC(F)(F)F 117739228 BHTLTTLBWHNCEZ-GJZGRUSLSA-N 441.469 4.350 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1 731228613 GCVQFRONRWYIEF-INIZCTEOSA-N 428.492 4.448 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(C[S@@](=O)C(C)(C)C)c3)CC2)cc1 734937288 UUJJPHYERZYELV-WJOKGBTCSA-N 443.613 4.487 10 20 IICD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 741214908 RUSRYAHQSWFKDD-QFIPXVFZSA-N 428.621 4.007 10 20 IICD O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(c2ncnc3sccc23)C1 742589667 SCOZMDJPBMYCPE-LJQANCHMSA-N 435.597 4.214 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCCOc2ccccc21 743577826 JQCXYOORHLUSIS-JXFKEZNVSA-N 431.483 4.470 10 20 IICD Cc1ccc(N=Nc2cc(C)ccc2NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 744348582 BEMSYLBSIRDKOE-OHUMZHCVSA-N 446.507 4.210 10 20 IICD CS(=O)(=O)c1cccc([C@H](NC(=O)NCc2ccccc2O)c2ccc(Cl)cc2)c1 745789142 DXJKAOVUDHAVEZ-OAQYLSRUSA-N 444.940 4.038 10 20 IICD Cc1csc([C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)n1 745864729 WIANVYXXQDEZJB-CRAIPNDOSA-N 436.528 4.472 10 20 IICD NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 749243800 IPNVQIRTEDLRGY-UHFFFAOYSA-N 428.492 4.276 10 20 IICD O=C(Nc1cccc(C(F)F)c1Cl)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 755192027 NEDQUSCQVUEHPU-CQSZACIVSA-N 438.858 4.130 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1 757608768 GOEWPBBSDJUWFJ-KRWDZBQOSA-N 439.533 4.467 10 20 IICD Cc1cccc([C@@H]2NC(=O)N([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2=O)c1C 761634153 APPSJZAZXCEXPY-XLIONFOSSA-N 429.467 4.167 10 20 IICD COCCOc1ccc([C@@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 765126737 MQLYAABYBUGWJP-CEXWTWQISA-N 446.563 4.324 10 20 IICD CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 769279855 DHRCWHNZXAPNAY-UHFFFAOYSA-N 430.913 4.119 10 20 IICD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 769659732 JYEOGDVUSSAXFC-RUZDIDTESA-N 446.595 4.108 10 20 IICD CC(C)C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1 769710806 PJOSGGJVWHFEEG-KRWDZBQOSA-N 431.562 4.185 10 20 IICD CC(=O)Nc1sc(NS(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)nc1-c1ccccc1 775207134 HEZKCKZMUMEFBG-UHFFFAOYSA-N 446.510 4.094 10 20 IICD C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(N(C)C)cc1 775403136 GQOITFKTMOFBRG-MHECFPHRSA-N 431.536 4.197 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCO[C@H](c3ccc(F)cc3F)C2)c1O 777570148 SLYJNKAHLVQTKW-QFIPXVFZSA-N 425.431 4.181 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 777665590 LUZZAROOPSCFJZ-UHFFFAOYSA-N 425.438 4.067 10 20 IICD O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 779515696 AHCVAAIGKZUTPM-LUAWRHEFSA-N 447.466 4.479 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](COc4ccccc4)C3)cc2F)C[C@@H](C)O1 779979557 CKCRRXAIYJADJP-ZVDOUQERSA-N 441.547 4.050 10 20 IICD CCc1c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cnn1CC(C)C 782896965 RQWQYTOONADTQX-UHFFFAOYSA-N 426.561 4.107 10 20 IICD CC(C)c1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)n(-c2ncccn2)n1 789249458 JVORIVCIYOAUOW-UHFFFAOYSA-N 432.484 4.319 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 795678173 BBHFBAXTIYCCNM-TWJOJJKGSA-N 434.580 4.195 10 20 IICD COc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c(O)c1 797621105 YEIDIYJYWLUMRP-UHFFFAOYSA-N 445.519 4.244 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc4ccncc34)cc2Cl)C1 800636622 LSLZRELKKKLRSA-MRXNPFEDSA-N 436.943 4.379 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 802609829 LYXMKJRGSASQJA-UHFFFAOYSA-N 442.409 4.240 10 20 IICD CN1CCC([C@@H]2CCN(Cc3cc(Br)cc(Br)c3O)C2)CC1 809757024 VWPSELXZBPUVHG-CYBMUJFWSA-N 432.200 4.081 10 20 IICD Cc1cc(-c2nnc(N3CCn4c(C(C)C)nnc4[C@H]3C)n2C)c(C)n1-c1ccccc1 809872963 SOZUXFFIAWCJJX-GOSISDBHSA-N 430.560 4.186 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2F)C[C@@H](C)O1 809920436 ZDHOXPUNEYQEQC-CHWSQXEVSA-N 436.871 4.323 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cnc(Cl)c(Br)c1 821192773 XMKBHMSEMMGDNQ-UHFFFAOYSA-N 432.510 4.311 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(OCC(F)(F)C(F)F)nc1 857508816 YYXJHMFUEBXKOB-UHFFFAOYSA-N 427.181 4.303 10 20 IICD CCc1nc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cs1 913360468 KSQWOLYPDTYHHJ-NTEUORMPSA-N 438.621 4.492 10 20 IICD CCCN(CCC)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914046478 MGMHTGGUCHTORR-PTNGSMBKSA-N 441.416 4.299 10 20 IICD Fc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1 916025482 ATVKPABKRGDPEP-UHFFFAOYSA-N 431.430 4.307 10 20 IICD CCN(CC)c1ccc(CNC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916502173 CXHRZOQERBTOPF-UHFFFAOYSA-N 444.004 4.484 10 20 IICD Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917715882 YDSMZDHOECMUMJ-GJZGRUSLSA-N 425.479 4.365 10 20 IICD CCOC(=O)Cc1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 918777688 MOEAZZNSEYMDNR-UHFFFAOYSA-N 442.541 4.142 10 20 IICD CCC[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 919698902 AYWGYIYEKSXPHB-QFIPXVFZSA-N 447.558 4.142 10 20 IICD Cc1cc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl 919968566 GDHKKRANYMZLPC-UHFFFAOYSA-N 430.976 4.333 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)s1 921235715 VTFXAMZSJRWGHT-UHFFFAOYSA-N 425.513 4.152 10 20 IICD CCOc1ccc(N2CCN(C(=O)Cc3sc(SC(F)F)nc3C)CC2)cc1 1116882447 AOPPKAVFVFYHLJ-UHFFFAOYSA-N 427.542 4.056 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCOCC2)cc1 1795897033 VBSRJGBKRJWGAV-RHHYMUMYSA-N 449.595 4.163 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 69436521 ISAJNZWPYPREHH-FQEVSTJZSA-N 439.581 4.008 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 105722414 JXEKTXQUJPXWFD-HXUWFJFHSA-N 440.569 4.005 10 20 IICD CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 486075754 PYLXEMSGHBTBLO-UTKZUKDTSA-N 427.589 4.062 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)CC2)cc1 726602606 XXXAKKROOJQUFV-UHFFFAOYSA-N 429.369 4.258 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(CCSC)cc3)cc2F)CC1 730383613 NAHJJERKBUQGTD-UHFFFAOYSA-N 430.593 4.195 10 20 IICD COCCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731015210 SJBRZWRRHKHUCP-UHFFFAOYSA-N 448.567 4.064 10 20 IICD CC1CCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2)CC1 731049136 MQHJEEQTUHEGBD-UHFFFAOYSA-N 434.584 4.158 10 20 IICD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(Sc4ccccc4)c3)ccc21 731130192 XDLACEIXFWQBJR-UHFFFAOYSA-N 431.561 4.475 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 734404555 KKGZWCJFAYNAAA-KROKWJMESA-N 425.617 4.034 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 735645753 WPKDLVFIEYURMK-HOTGVXAUSA-N 430.595 4.392 10 20 IICD C[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749356 GEVZVJQKULLPHM-VGOFRKELSA-N 443.563 4.453 10 20 IICD CCOc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC 743537148 YZLUJSOFVHIMDQ-KRWDZBQOSA-N 449.498 4.164 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@H](Cc2ccccc2)C1 743554792 KSAXFTSPKFAKGR-LJQANCHMSA-N 447.501 4.316 10 20 IICD COc1ccc2c(c1)OCC[C@@H]2NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743651141 ZRJMOCQXGJPFOO-QRWLVFNGSA-N 447.482 4.088 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(Cl)c1SC(F)F 743958373 UBYVUCDIURTXJR-UHFFFAOYSA-N 440.899 4.494 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(Cl)ccc1OC(F)F 745591686 COFKOSMJPKQKMA-UHFFFAOYSA-N 441.931 4.494 10 20 IICD CCN(C)Cc1cccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 745788574 MTHASFFSGBIYFL-FQEVSTJZSA-N 446.542 4.208 10 20 IICD CO[C@H](C)c1nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)cs1 747853656 QMGJKALVHAPALC-MRXNPFEDSA-N 432.567 4.056 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2I)c1 750627994 ZDOJDBOBSWEFSD-VIFPVBQESA-N 430.217 4.027 10 20 IICD Cc1ccc(-n2cnnc2SCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751306023 OIBJSXNYGCAHEL-UHFFFAOYSA-N 441.520 4.016 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCc2ccccc2C1 751944529 FVDWMDCLYKHPIO-HSZRJFAPSA-N 449.576 4.082 10 20 IICD CN1C(=O)c2cccc3c(S(=O)(=O)N(C)Cc4ccc(N5CCCCC5)cc4)ccc1c23 753831843 ZZUHWBMNHAYSGM-UHFFFAOYSA-N 449.576 4.241 10 20 IICD CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754549382 JTDUDIIPHCXIKC-XMMPIXPASA-N 436.467 4.365 10 20 IICD C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cc(F)cc(F)c1O 756562696 IJHZVSJLYDTQKU-LBPRGKRZSA-N 427.289 4.132 10 20 IICD C[C@@H](N[C@H](CO)Cc1ccccc1)c1cc(Br)cc(Br)c1O 756586834 VFUPJHFBVMOSSX-RISCZKNCSA-N 429.152 4.171 10 20 IICD CC(C)Oc1ccc(N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1 760677315 JPAIXNILGIUSGW-UHFFFAOYSA-N 446.550 4.318 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)cc2F)CC1 767959888 GNSDINBKBQEHQH-UHFFFAOYSA-N 427.417 4.056 10 20 IICD Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(-c2cccs2)n1 769685864 RBBYHWCRFIAZTM-UHFFFAOYSA-N 436.503 4.294 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1c1cccc(F)c1 769715182 LVAFCWORNCNWSJ-SFHVURJKSA-N 446.525 4.371 10 20 IICD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C)c(O)c1O)CC2 770470567 XOKBEEMITMOYLO-HXUWFJFHSA-N 425.506 4.273 10 20 IICD C[C@H](NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)c1ccc(N(C)C)cc1 773615385 WVCPHBQMYQLTSQ-PXNSSMCTSA-N 434.540 4.164 10 20 IICD C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C 775239366 XNIDAZOZOASMEV-IEBWSBKVSA-N 430.593 4.215 10 20 IICD CCNC(=O)N1CCc2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)cc21 777694247 CULOFBKDSCZYQM-MRXNPFEDSA-N 428.964 4.442 10 20 IICD CCc1cnccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 779001469 FBODPONMPMYINS-BOPFTXTBSA-N 431.608 4.003 10 20 IICD CN(C)c1ccc(/C=C2\N=C(SCCCO)N(c3ccc(OC(F)F)cc3)C2=O)cc1 780668492 WWXJGVZQUTVKHU-RGEXLXHISA-N 447.507 4.213 10 20 IICD COc1cc(Cl)cc([C@@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)c1O 781866657 XFKXYYSGIVAAGR-LJQANCHMSA-N 447.919 4.145 10 20 IICD CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)SC2=S)c1 782188654 LOMLDRHOUHWAEC-WQRHYEAKSA-N 429.519 4.043 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)C2CCCCC2)cc1 784058888 AVMPRCCLAKVMBF-UHFFFAOYSA-N 444.539 4.236 10 20 IICD COc1cc(OC)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1Cl 784107921 CMJKWQXRUCTFGE-UHFFFAOYSA-N 431.920 4.101 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2 789747811 LSIHKRRNMQLDPD-UHFFFAOYSA-N 428.602 4.244 10 20 IICD Cc1noc(C)c1C(C)(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 797733207 XIYQMLGSWYJMLT-LJQANCHMSA-N 444.576 4.017 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cnn1C1CCOCC1 800571776 MZDCOKSXOKARCH-INIZCTEOSA-N 430.980 4.363 10 20 IICD CCCC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 800718894 FBQIOZUXVAFBFM-QUCCMNQESA-N 449.039 4.414 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1F 804851440 CFLCEEHSNLGJTI-SFHVURJKSA-N 448.542 4.228 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H](CCNC(C)=O)C3)c2C)c1 805822605 PRALHAVJCLDOQX-HXUWFJFHSA-N 427.614 4.237 10 20 IICD COc1c(Cl)cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl 807513849 WEMLJYLIAUBGTN-UHFFFAOYSA-N 438.094 4.269 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 813513699 RKPRHQPEWFZAGX-HRAATJIYSA-N 442.556 4.437 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC(OC[C@H]2CCCO2)CC1 815797429 PHMWQKBLRRQAIE-XUJQIHCRSA-N 440.378 4.258 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 918307099 NALUUNILUIJYRB-UHFFFAOYSA-N 432.524 4.236 10 20 IICD CCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC 919969215 YWXOLODHQYMRHZ-UHFFFAOYSA-N 446.975 4.276 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccncc2F)C3)cc1 1800514245 FGSWPRLBLUGNAO-QQFNCUIESA-N 446.526 4.194 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@]2(F)Cl)cc1 1802494863 QCIKURPFWHARDV-KFGLOJPWSA-N 443.950 4.270 10 20 IICD CCc1cccc(CC)c1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 8688163 YVZYTAMJOLVNAV-UHFFFAOYSA-N 427.545 4.191 10 20 IICD CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(C)C 15688308 JRVXENKXZKKLEF-CQSZACIVSA-N 441.911 4.306 10 20 IICD CC(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 18610573 AWLLNBUFOSFZEK-UHFFFAOYSA-N 443.297 4.427 10 20 IICD COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OC(=O)c1cccs1 210299322 LEHWVMGFRARLOO-QGOAFFKASA-N 428.535 4.432 10 20 IICD O=C(NCc1ccc(Oc2ccccc2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 303185170 YDNBTESJTSZWTE-UHFFFAOYSA-N 435.499 4.454 10 20 IICD Cc1c(CNC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)n(C)c2ccccc12 471220245 WIMMASKLDAFOTK-UHFFFAOYSA-N 441.457 4.384 10 20 IICD CCOC(=O)c1csc(N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C2CC2)n1 610231743 OTBIEPIOOLMFDE-UHFFFAOYSA-N 441.553 4.347 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)C[C@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 726714141 UALHZKQTPYOTLH-BWKNWUBXSA-N 437.584 4.473 10 20 IICD COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cc2oc3ccccc3c2cc1O 726960994 IZKXPRXYDQKAGA-UHFFFAOYSA-N 435.476 4.484 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 727170588 UAGLHBDWIINNBI-RTBURBONSA-N 444.597 4.111 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCCOc3ccc4c(c3)CCC(=O)N4)ccc21 728639957 UOKYOCOGRBKENR-UHFFFAOYSA-N 436.508 4.025 10 20 IICD CCN(CC)c1ccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1F 731352142 OKQIFOZGPAPGKD-UHFFFAOYSA-N 425.464 4.157 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)NCCCC(=O)N3CCc4ccccc43)c2C)cc1 732177720 YJDBRCSCVSKZAI-UHFFFAOYSA-N 431.536 4.202 10 20 IICD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 734809154 FGXUVJWPAIWNBO-QFIPXVFZSA-N 439.556 4.178 10 20 IICD O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517669 MMXLDKOONRGPNL-QFIPXVFZSA-N 434.492 4.166 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)Cc3ccc(Cl)cc3)cc2F)CC1 737051091 XKPLDNPVVCNTOK-SFHVURJKSA-N 446.998 4.394 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 741735631 JRNBMIHQCXYHQN-AREMUKBSSA-N 429.564 4.013 10 20 IICD CN(c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1)C1CCCCC1 742416541 BEXQZCLPVWPXRR-UHFFFAOYSA-N 430.552 4.042 10 20 IICD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1ccc(N2CCCCC2)cc1 742476225 OSNFJCKAJUUCSW-HXUWFJFHSA-N 429.973 4.450 10 20 IICD COc1ccc(/C=C/C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 742755153 WCHFQEJBASDIIP-NAVGAYGYSA-N 439.556 4.157 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Br)c(F)c2)cc1 743890804 ZPHHFSFJCDAZII-UHFFFAOYSA-N 436.325 4.032 10 20 IICD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)C1 747017914 SFKKMVRKEHBUHH-YADARESESA-N 449.595 4.419 10 20 IICD COc1ccc(Cl)cc1NC(=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 747590686 MOLKZUJXUCGGTC-UHFFFAOYSA-N 446.979 4.363 10 20 IICD COc1ccc(N2CCN(C(=O)NCc3cccc(COC(C)(C)C)c3)CC2)cc1F 753893381 MZABKUGTDXJSMS-UHFFFAOYSA-N 429.536 4.181 10 20 IICD CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1F 755969924 YFHLRUVVEQNSFF-NRFANRHFSA-N 427.545 4.399 10 20 IICD COc1ccc([C@H](CN[C@H](C)c2cc(Br)c(F)cc2O)N(C)C)cc1OC 756662339 CMFJPRNIVJYZOO-PXAZEXFGSA-N 441.341 4.265 10 20 IICD CCc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 759787182 KLXKTWKFQCZJOV-UHFFFAOYSA-N 440.565 4.154 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CN3CCC([C@@H](O)c4nccn4C)CC3)c2C)cc1C 760881734 WWFRDVYLBRULGK-RUZDIDTESA-N 434.584 4.073 10 20 IICD Cc1ccc(Br)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 761876288 ZLNUGDFRQVRPFF-UHFFFAOYSA-N 443.297 4.224 10 20 IICD Cc1ccccc1OCc1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 762244993 INSFNXIRMQCFJU-UHFFFAOYSA-N 443.506 4.192 10 20 IICD COc1cc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC 764914615 PHXLKFFBGIXUQX-UHFFFAOYSA-N 426.391 4.119 10 20 IICD C[C@H](NCC1(N[C@H](C)c2ccccc2)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 766096771 HXDIOFBOSXRCGQ-LEWJYISDSA-N 441.591 4.213 10 20 IICD C[C@H](NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 766602742 UFVRDMGXNLOBIS-RXFWQSSRSA-N 445.563 4.284 10 20 IICD COC(=O)CN(Cc1cc(Br)c(OC)s1)Cc1cc(Cl)ccc1O 769382211 VPIMMUFCIRBSTC-UHFFFAOYSA-N 434.739 4.053 10 20 IICD CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)/C=C\c1ccc(O)c(O)c1 774779737 WTRAWGCXWHBADD-YPLUBFQTSA-N 434.330 4.028 10 20 IICD CCN(CC)Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC 775380533 WWOUKBLQUJJNHP-LJQANCHMSA-N 443.607 4.488 10 20 IICD CC[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)ccc1O 775501309 GSCQJPRUSDDQJC-OAQYLSRUSA-N 433.390 4.352 10 20 IICD C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N(C)C)cc1 775513107 NVJVUNYDTYGCEV-OAHLLOKOSA-N 436.478 4.491 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 779523012 YBZQGJFNANYCSJ-YRNVUSSQSA-N 448.494 4.178 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1ccc(N2CCOCC2)cc1 780590969 QNBSPTMBFRZICB-UHFFFAOYSA-N 425.573 4.149 10 20 IICD CCn1ncc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc21 783485693 KGYVPCLJXWVPFS-QGZVFWFLSA-N 427.508 4.371 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)cc2)CC1 786254419 DCGQFTAIKYWZQQ-RTWAWAEBSA-N 446.378 4.082 10 20 IICD COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 788547150 IWYNXRFHKUCGHW-UHFFFAOYSA-N 444.321 4.099 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cn(-c2ccccc2)nc1C 791246350 NHJMBLYGGHOQQJ-UHFFFAOYSA-N 434.540 4.183 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 796707594 SVBTWFJXOSMIGV-UHFFFAOYSA-N 435.427 4.132 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@H](c2ccccn2)C1 798716397 QUIZEGIOWWHWJH-LUJRCDHRSA-N 443.619 4.141 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](C)c3ccccc3SC)CC2)cc(OC)c1OC 800014247 VGROSGFTDGRRSH-MRXNPFEDSA-N 445.585 4.027 10 20 IICD O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cnc2ccccc2c1 800926242 UDKZRIQBHCQPIW-UHFFFAOYSA-N 433.518 4.345 10 20 IICD CCCCC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 804093722 KNPXUMHJFBXIPR-DEOSSOPVSA-N 437.584 4.218 10 20 IICD Cc1cnc([C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C2CC2)s1 807630095 YSDFFBPVQRSCOZ-FQEVSTJZSA-N 427.570 4.086 10 20 IICD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 807915914 LEJXXVZGHSWQCF-QFIPXVFZSA-N 425.573 4.013 10 20 IICD COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1Cl 808109796 GMGHWNHMKCVUMJ-UHFFFAOYSA-N 434.341 4.450 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1O 808241060 ZCOBUVFZOBZROW-TZIWHRDSSA-N 449.507 4.291 10 20 IICD COc1ccc(N2CCN(C(=O)c3nc4ccccc4cc3Br)CC2)cc1F 808402867 GPWSMZCNFLNALH-UHFFFAOYSA-N 444.304 4.107 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccc(Cl)cc1 808917125 QHRRFAMPWYLQHG-UHFFFAOYSA-N 443.910 4.132 10 20 IICD CCC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 808921263 QCWFABIJLGUBIP-NRFANRHFSA-N 442.462 4.450 10 20 IICD COc1ccc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)c(OC)n1 810261769 YRNDXNVFMWJVEU-VIFPVBQESA-N 446.139 4.180 10 20 IICD C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 812391023 QDJMPCUFWXMMKW-SJORKVTESA-N 442.947 4.450 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 816634024 WBDFBNZLBZAGHX-SJORKVTESA-N 449.548 4.168 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 915221874 MQVWSRSEMDNGPI-UHFFFAOYSA-N 433.942 4.391 10 20 IICD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCCC1 918057058 BXZOBHNQSCKGHG-XMMPIXPASA-N 436.600 4.272 10 20 IICD CCCCOc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918205585 OXALSOKMLNBJID-UHFFFAOYSA-N 425.573 4.074 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 919794034 GFRZYFLDZSJBHK-UHFFFAOYSA-N 438.915 4.190 10 20 IICD C[C@@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1255191978 KGTPINFUAORYQL-QGZVFWFLSA-N 426.561 4.338 10 20 IICD O=C(CSc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 1318626170 NASNCJJQYHUTGB-KRWDZBQOSA-N 436.371 4.455 10 20 IICD C[C@@H](OC1CCCCC1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1318742402 WXBLYRGWUQIJNC-UTKZUKDTSA-N 433.593 4.172 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)OC(C)C)cc1 1798546156 XQJCEBJSOPXNND-SJROBZAFSA-N 437.584 4.159 10 20 IICD O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9553117 WTRMMVQWSUUBKP-UHFFFAOYSA-N 448.891 4.118 10 20 IICD O=C(COC(=O)CCCc1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 11319244 QNISCIGEVNNGAN-UHFFFAOYSA-N 433.485 4.028 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2cccc(C)c2)n1CC 105354809 ZAECDHFTPJPBDK-UHFFFAOYSA-N 437.613 4.480 10 20 IICD COc1cccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1O 727762132 APJANKMPAHZLHE-UHFFFAOYSA-N 429.270 4.281 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nc(-c3cccs3)no2)cc1 728839145 FJPZHVNVOMSOSH-UHFFFAOYSA-N 438.475 4.388 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 729857909 LIMMXEBBGGKOGW-IECBHUPTSA-N 441.547 4.113 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CCc2ccc(F)cc21 730119716 ZJNCACNHJPAJOE-HXUWFJFHSA-N 437.437 4.168 10 20 IICD Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(Br)cc1 733836359 FCPONELDSJDBHC-IMFGXOCKSA-N 432.314 4.150 10 20 IICD CCOc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 738298255 GJNIHTNILHUJGJ-HXUWFJFHSA-N 439.600 4.393 10 20 IICD CCOc1ccc(N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 739923014 BGMAPWJTUSPGKA-UHFFFAOYSA-N 437.462 4.016 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1F 741070934 LXIYLTORDCFXEE-UHFFFAOYSA-N 442.944 4.019 10 20 IICD Cc1cccc(O[C@@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742751062 RCFXAGSEJNUZQL-AVRDEDQJSA-N 441.572 4.211 10 20 IICD O=C(CCc1cnn(-c2ccccc2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799245 VZKCXRUMVFJMHW-LJQANCHMSA-N 440.494 4.192 10 20 IICD O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N(Cc1ccco1)Cc1ccccc1O 743431680 ZIPBVNTYKJRJNL-UHFFFAOYSA-N 442.397 4.427 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2)cc1)C1CCCCC1 754490369 WQZQXAIGFOUXBT-UHFFFAOYSA-N 432.524 4.365 10 20 IICD COc1cc(C)nc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 757690042 ZLJZLBCIJOQTRM-BOPFTXTBSA-N 448.591 4.185 10 20 IICD CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1-c1ccccc1 758091994 JLYAINCDZAEUSD-UHFFFAOYSA-N 436.531 4.112 10 20 IICD COC(=O)c1cn(C2CCN(C(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)CC2)nn1 759198878 HZWDZXUXIUWKGJ-UHFFFAOYSA-N 449.555 4.073 10 20 IICD C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(c2ccncc2)CC1 759937230 KODMKALDBZXGNR-KRWDZBQOSA-N 439.515 4.064 10 20 IICD COc1cccc2c1CC[C@H]2NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 760167655 XCZAVYXXYDQWHE-HXUWFJFHSA-N 431.483 4.252 10 20 IICD CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 760399196 FVFOFZJGUJEFFG-HNNXBMFYSA-N 428.602 4.132 10 20 IICD CN(c1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 762226707 VGDZGQSCZUTTEK-FQEVSTJZSA-N 449.599 4.089 10 20 IICD CCCOc1c(Br)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC 763279268 KDHQSRYVKPRRBK-LBPRGKRZSA-N 438.318 4.019 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)c(C)c1 764524933 GVXHFIXTWTUKNU-UHFFFAOYSA-N 425.539 4.117 10 20 IICD COc1cccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)c1 764571830 KVEDJMUZGNYXBX-DFBJGRDBSA-N 427.564 4.159 10 20 IICD CCn1c(/C(Cl)=C/c2cncs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 767721501 LYROQPINDWTGQJ-YBEGLDIGSA-N 436.990 4.424 10 20 IICD Cc1ccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nnc2-c2ccco2)cc1 768412490 XTDNKOSFQSMAJD-UHFFFAOYSA-N 447.564 4.310 10 20 IICD CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 769706205 OCBRXEWEXHCFQO-UHFFFAOYSA-N 431.341 4.121 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C/c2cc(O)ccc2Br)SC1=S 769777410 QGZSWRNKPSVLKW-LCYFTJDESA-N 430.345 4.001 10 20 IICD O=C(c1cnc(Cc2ccccc2F)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 773475543 OAEORZOIJYTQJG-SFHVURJKSA-N 426.513 4.400 10 20 IICD CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 774846683 RZMWQBQXKZDJRB-FQEVSTJZSA-N 442.512 4.258 10 20 IICD C[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccc(N(C)C)cc1 776243478 CBZFNYPKPFICEQ-HNNXBMFYSA-N 444.963 4.233 10 20 IICD CN1CCC(N2C(=O)/C(=C\c3ccc(Br)c4cccnc34)SC2=S)CC1 777874564 FJYONCOUFBQGBD-LFIBNONCSA-N 448.411 4.293 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 778919453 DTWULKGJRXJJTM-HXUWFJFHSA-N 446.272 4.436 10 20 IICD C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)cc1 784499482 PDXBTQBMFALKSG-AWEZNQCLSA-N 432.436 4.091 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 785304912 TXNJLUKKRXEXAK-CQSZACIVSA-N 440.883 4.229 10 20 IICD O=C(O)CCCN1C(=O)/C(=C/c2cc(Br)c(Cl)s2)SC1=S 790102062 XFRISVITYUAUAI-YVMONPNESA-N 426.766 4.230 10 20 IICD Oc1ccc(Cl)c(F)c1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 790948630 LVZWQCHHQQMOHD-UHFFFAOYSA-N 444.913 4.335 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2csc(C)n2)c[nH]1 791249352 FLSRGWUWZAZGAT-UHFFFAOYSA-N 440.569 4.449 10 20 IICD C[C@H]1COC(C)(C)CN1Cc1c(O)ccc2ccc(O)c(CN3CC(C)(C)OC[C@@H]3C)c12 792726790 XGPWFFITKPMUSR-ROUUACIJSA-N 442.600 4.250 10 20 IICD COc1ccc(CNC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)c(O)c1 797390637 LBNNDDODXHCNGY-UHFFFAOYSA-N 428.554 4.389 10 20 IICD CC(C)(C)Oc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)ncc1Br 798217292 PRSNSDPTKWGWRJ-UHFFFAOYSA-N 449.393 4.237 10 20 IICD COCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800517609 QEBQSLCMOYNEPE-MRXNPFEDSA-N 444.963 4.483 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 802005475 JPOLQOVCKRILMP-UHFFFAOYSA-N 429.536 4.004 10 20 IICD CC[C@@H](NCCc1ccc(S(=O)(=O)N(CC)CC)s1)c1cccc(Cl)c1O 806138148 RTTLTKSVUJXKMR-QGZVFWFLSA-N 431.023 4.421 10 20 IICD CC(C)(C)CCOc1cnccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 806440148 MNAXXUAJQYBNEF-UHFFFAOYSA-N 442.629 4.449 10 20 IICD O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)NCc1cc(Cl)cc(Cl)c1O 806646907 XERIIEXVNGFVEL-UHFFFAOYSA-N 445.306 4.346 10 20 IICD Cc1cccc([C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(C)(C)C)c1 807702803 FYOLHONAAWVZGA-FYYLOGMGSA-N 438.568 4.112 10 20 IICD COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1Cl 808111375 AVIAIWHOKDYJJT-UHFFFAOYSA-N 438.354 4.247 10 20 IICD C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 809979656 AHCBJBNXWRGDAJ-LBPRGKRZSA-N 425.270 4.116 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F 812018690 TZXRXYGNDAIBKH-IBGZPJMESA-N 448.583 4.070 10 20 IICD C[C@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 815153288 LTLCXUHSGYDVHA-AUSIDOKSSA-N 432.568 4.082 10 20 IICD CSC[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 817060769 MTBDXHHEBMUHQF-DSQDWWTGSA-N 440.681 4.331 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc3c(s1)CCCCC3)c2[N+](=O)[O-] 833551700 DJRPHCLKFUYKMC-UHFFFAOYSA-N 447.472 4.348 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 914608621 LFWRLWYERSRHDS-UHFFFAOYSA-N 449.592 4.019 10 20 IICD C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1 915752908 NUYUQUWCXDVDGV-QZTJIDSGSA-N 437.544 4.045 10 20 IICD CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918218059 QMHBWOGMQGHVHI-UHFFFAOYSA-N 426.319 4.311 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCN2CCc3sccc3C2)cc1 919784946 SOBFFSULXSZUMU-UHFFFAOYSA-N 438.597 4.177 10 20 IICD Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)cc1 919970854 GOGFSIPLLDAPTA-UHFFFAOYSA-N 439.556 4.078 10 20 IICD CCCc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 920291137 KOWWUPGKRQZYCR-UHFFFAOYSA-N 446.507 4.202 10 20 IICD COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1116954303 SMFGMHHLSHRXIV-NZQKXSOJSA-N 435.572 4.004 10 20 IICD Cc1ncc(Br)c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 1117094272 OWMQVDAYBJTQQV-LBPRGKRZSA-N 437.769 4.367 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1 1251384722 OSZLJFFELXFNQY-MRXNPFEDSA-N 448.394 4.289 10 20 IICD CN1CCN(c2ccc(CNc3ccc(C(=O)N4CCc5ccccc54)cc3)cc2F)CC1 1261378249 UIKOASYVYDLZHG-UHFFFAOYSA-N 444.554 4.393 10 20 IICD Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc(C)c1Br 1324160210 WMFTXMDYOBYEGJ-MRXNPFEDSA-N 434.334 4.380 10 20 IICD O=C(CC1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1816688788 CSQFPKFDHRZQNI-KRWDZBQOSA-N 446.935 4.361 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccc(F)cc3)C2)cc1 1842715800 RZLNCEGHWFQHQK-UHFFFAOYSA-N 445.538 4.293 10 20 IICD Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 26077626 YQRUQZAWAZVNKA-UHFFFAOYSA-N 439.537 4.011 10 20 IICD Cc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c(C)n1-c1ccc(C#N)cc1 303173673 JEROUMDTVNIWLA-UHFFFAOYSA-N 430.527 4.453 10 20 IICD Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NCc3c(C)c4ccccc4n3C)cs2)c1 473278211 HIYUJLDAPJLKQV-UHFFFAOYSA-N 448.548 4.068 10 20 IICD CC1CCN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cn2)CC1 727104291 RNCJKWMHUWQJMV-DEOSSOPVSA-N 436.600 4.205 10 20 IICD Cc1ccc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CCOCC2)cc1 731975669 MHRRAZHIJUEQNX-PMACEKPBSA-N 440.559 4.112 10 20 IICD CCN(C(=O)Cc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1)c1ccccc1 734061716 GIFYYQPDHQEDGU-UHFFFAOYSA-N 433.508 4.318 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@H]1c1c(F)cccc1F 734771265 RXCURSIECNIFLO-HOTGVXAUSA-N 440.412 4.240 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(SCc2cccnc2)cc1 741097770 YDMHXFDJIAGWTL-UHFFFAOYSA-N 444.560 4.005 10 20 IICD CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)CCS1 742923714 NRTIMBLTNKEMHB-MRXNPFEDSA-N 444.578 4.114 10 20 IICD CC(C)(C)c1ncsc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 746832036 IHGQPYWIYDNZFZ-UHFFFAOYSA-N 427.492 4.226 10 20 IICD CN(C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 747015391 XWXOEVDOLXNSFY-UHFFFAOYSA-N 445.523 4.297 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2nc(Cc3nnc(S)n3C)cs2)c1C 747210250 NKJSUYNMVUZHFW-UHFFFAOYSA-N 438.582 4.119 10 20 IICD O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1-c1ccccc1 751238257 YVMVBFGGWNAEJL-UHFFFAOYSA-N 436.577 4.041 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)cs2)cc1 751932545 UEJRGDQCWYPEJF-GOSISDBHSA-N 445.903 4.071 10 20 IICD C[C@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 753763062 MGWIENYRINHSSQ-MHECFPHRSA-N 435.584 4.350 10 20 IICD COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 756455631 UHDRNGYEMAPDST-LSDHHAIUSA-N 433.346 4.118 10 20 IICD CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)OC)cc3)SC2=S)cc1 758414461 ACXKFKHAJJTBND-NFECSFHCSA-N 443.546 4.431 10 20 IICD CCOc1cc(Cl)ccc1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 759987009 RQRRCLFFOGUFDT-UHFFFAOYSA-N 449.935 4.119 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cccc1C(F)(F)F 761656974 RBODXCPYEIOPJW-UHFFFAOYSA-N 425.426 4.436 10 20 IICD C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 762511446 SKPIFLDTWRPYKL-CVEARBPZSA-N 427.595 4.491 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)c(Cl)c1 763397700 WHDSGCIXEFDUDP-UHFFFAOYSA-N 437.765 4.241 10 20 IICD C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N(C)Cc1ccc(N2CCOCC2)cc1 764144690 ZEEJKLNOMBRAJD-QGZVFWFLSA-N 426.948 4.343 10 20 IICD O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NCc1cccc(Br)c1O 765771261 YESVPNBNPYXUMJ-UHFFFAOYSA-N 442.269 4.200 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 767878912 XXGMFJYADLABHV-UHFFFAOYSA-N 434.544 4.457 10 20 IICD C[C@@H](NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(Br)c(F)cc1O 774397393 RYIGJIFSNZOGCN-MWLCHTKSSA-N 436.243 4.213 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc(CCO)c(C(F)(F)F)n3)c2C)cc1 778601118 LJLVMEMVVYMGSP-UHFFFAOYSA-N 435.446 4.126 10 20 IICD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 782896032 KXBZAQLWJYRSJO-UHFFFAOYSA-N 444.915 4.132 10 20 IICD Cc1ccc(-n2nc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2C)cc1 784106286 JSGSLBQACOJIQT-UHFFFAOYSA-N 431.540 4.233 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2F)C[C@@H](C)O1 786710126 MQCUTDIPJINFPB-IYOUNJFTSA-N 431.474 4.312 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(O[C@H]4CCN(C)C4=O)cc3C)c2C)cc1 799034506 QPICZTQBOWRFMK-DEOSSOPVSA-N 447.535 4.273 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C2CC2)c(OC)c1 802060236 GTTUVQJKYQATCH-MRXNPFEDSA-N 429.536 4.419 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(Cl)cc(Cl)c1O 804969745 RZXKQTIHFBVJSW-UHFFFAOYSA-N 426.369 4.252 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1 806853907 RCGNYHGFGVMQAH-UHFFFAOYSA-N 427.854 4.460 10 20 IICD CN(C)c1cc(Cl)cc(Cl)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 810133101 DRYDUFVJEPGTFT-INIZCTEOSA-N 435.399 4.051 10 20 IICD C[C@H](c1ccc(N2CCCCC2=O)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 811847284 RBSDVJIMNXSNEK-OAHLLOKOSA-N 441.915 4.088 10 20 IICD O=C1CN(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)c2ccccc2N1 829397734 QSMCPPZMXFQOSF-UHFFFAOYSA-N 444.516 4.269 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@@H]1CC1(Cl)Cl 913359910 GIUHBHNEELYWIT-QVIVLVACSA-N 436.407 4.467 10 20 IICD CN(C)C(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 915768859 UMNFCUZXBHLXOS-UHFFFAOYSA-N 429.480 4.059 10 20 IICD COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nccn1C 916227540 BYXIPNORWMTSBQ-XMMPIXPASA-N 447.583 4.350 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(Cl)c1-n1cccn1 916688120 QJVRXUVIJWQBOD-UHFFFAOYSA-N 439.947 4.056 10 20 IICD CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)c3cc(N4CCOCC4)ccc3N2)cc1 917500156 XEDQIUCWZFPTAI-AREMUKBSSA-N 442.563 4.404 10 20 IICD CCC(C)(C)C1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918117244 JIIFPMXTWNLJHQ-MWXLCCTBSA-N 428.621 4.183 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)cc1 918455329 ATYWBXMTCWVPBK-UHFFFAOYSA-N 444.535 4.378 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1C1CCCCC1 918674376 XLQOIBYICQZPOS-OAQYLSRUSA-N 436.600 4.242 10 20 IICD C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(N2CCOCC2)cc1 920880222 DLEQLPQACBZAQN-INIZCTEOSA-N 444.457 4.219 10 20 IICD C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 1116488418 SEDCFTDMNNMGGZ-IBGZPJMESA-N 447.558 4.076 10 20 IICD Cc1c(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C 13297409 YTCRTZRKBCALBX-OAHLLOKOSA-N 431.439 4.166 10 20 IICD COc1cccc(C(=O)N2CCN(C(=O)c3cc(C)ccc3-n3c(C)ccc3C)CC2)c1 63502548 IXRXJQJTAXEIKJ-UHFFFAOYSA-N 431.536 4.009 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=S)Nc2ccc(C(N)=O)cc2)cc1 726445087 LWKNGRKRVMLZRR-UHFFFAOYSA-N 434.565 4.264 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)CC2)cc1 726562342 IQBXYXDEADIYIR-UHFFFAOYSA-N 434.540 4.264 10 20 IICD Cc1nc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2nc1C 726565176 DZMVDFVXCRYFOB-UHFFFAOYSA-N 426.467 4.247 10 20 IICD CCOC(=O)Nc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726565275 JUFJQRODTDHOHR-UHFFFAOYSA-N 433.455 4.255 10 20 IICD C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567254 OBCISUOCRFMCFZ-ZDUSSCGKSA-N 426.410 4.119 10 20 IICD CN1CCCc2cc(CNC(=O)Nc3ccccc3CS(=O)(=O)c3ccccc3)ccc21 731117627 XNNHKDWDXNYVBL-UHFFFAOYSA-N 449.576 4.365 10 20 IICD C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 731445793 BQCTVJDSSDGROS-AWEZNQCLSA-N 429.369 4.011 10 20 IICD CC(C)C[C@H](C)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 732243372 OMKLGOMNXWXAJY-PMACEKPBSA-N 440.588 4.292 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 732470153 SXISLBDNAHSUEE-OAQYLSRUSA-N 440.975 4.277 10 20 IICD Cc1cc(C(=O)COC(=O)COC[C@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 733599202 YSOHWVVIUHUIRM-GOSISDBHSA-N 439.430 4.034 10 20 IICD COc1cccc(C[C@@]2(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@H]3CC[C@H]2C3)c1 735463020 BADCMBIKVMWUNS-VMODYCNZSA-N 434.580 4.197 10 20 IICD CCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nn1-c1ccccc1 735546272 IZCGEDJHXQCNRK-UHFFFAOYSA-N 446.482 4.416 10 20 IICD CCCCS(=O)(=O)Nc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 740769412 ZCOCLLWVHMOTFE-UHFFFAOYSA-N 434.631 4.041 10 20 IICD CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 741212413 OUMCIOXSKWYREP-JOCHJYFZSA-N 428.621 4.103 10 20 IICD CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 741671633 KNVYLNZRSYKNCF-UHFFFAOYSA-N 429.948 4.091 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1ccc(OCC(F)F)c2ccccc12 742296755 IKJHUWCKUOANPZ-UHFFFAOYSA-N 444.550 4.401 10 20 IICD CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 742805598 MTXCSFCWFXPATK-IBGZPJMESA-N 446.494 4.435 10 20 IICD O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnn(-c2ccccc2F)c1 743046005 KDFLDUICSCGRAK-UHFFFAOYSA-N 436.440 4.214 10 20 IICD O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCSCC2)cc1 743554417 DOEXIPJGYBAGAR-UHFFFAOYSA-N 428.989 4.416 10 20 IICD CCc1ccc([C@H](COC)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 743635238 QGPWYCLPORTXEX-KXBFYZLASA-N 437.487 4.099 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1OC(F)F 745416747 BLCGGRPBDXCARK-UHFFFAOYSA-N 429.261 4.488 10 20 IICD CC[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCOCC1 746359479 KWRDXUZDVZVGMY-UDLNKVAWSA-N 438.640 4.051 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc(F)c3)n2)cc1 747856476 HUVBSWNWTYLBCN-UHFFFAOYSA-N 447.557 4.127 10 20 IICD CCN(CC)C(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 751137473 SDWTVSQHMRFQSN-UHFFFAOYSA-N 444.597 4.398 10 20 IICD Oc1ccccc1CN(Cc1nc(O)c2ccc(C(F)(F)F)cc2n1)C[C@@H]1CCCO1 756335476 IUMNEUKWFLHDDZ-INIZCTEOSA-N 433.430 4.241 10 20 IICD O=C(c1cc(Br)c(F)cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 760474441 KGWZSSXNPVBTEW-ZDUSSCGKSA-N 426.257 4.254 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765514183 XHQJRPOCOYOLNO-UHFFFAOYSA-N 445.485 4.275 10 20 IICD Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 771596099 MIFMBIRFDXIKFH-UHFFFAOYSA-N 443.544 4.353 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(I)c(F)cc1F 772221928 PUJCRUROTQYOJE-UHFFFAOYSA-N 442.247 4.100 10 20 IICD Cc1oc2c(CN3CC[C@H](n4cncn4)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl 776774328 KOJSEQWSHWNZIF-HNNXBMFYSA-N 436.899 4.166 10 20 IICD CC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc2C1 779016766 GMASZSIPZZFXAK-HSZRJFAPSA-N 447.501 4.125 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(-c4ccccn4)ccc3Cl)cc2)CC1 786260582 YTRBMUSEEDSGPE-UHFFFAOYSA-N 448.954 4.001 10 20 IICD CN1CCN(C[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)c2ccccc2)CC1 796280954 UVMRJHIFJPFEML-MUUNZHRXSA-N 440.635 4.328 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 806665978 JFVOTKCIRPEDND-UHFFFAOYSA-N 434.989 4.199 10 20 IICD CC[C@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCCCO1 812443225 KFAPHRYEFHWPAU-SIKLNZKXSA-N 427.593 4.086 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(OC(F)F)c(F)c1 815045914 WUDCJYQKXWDDKU-UHFFFAOYSA-N 448.363 4.213 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)c1 818348897 IAKBVGFQEMVCQC-QGZVFWFLSA-N 436.961 4.045 10 20 IICD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(F)c3)n2)cc1 915290973 GARAWJIXVNAPHE-UHFFFAOYSA-N 447.557 4.127 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(-c4csnn4)cc3)cc2F)C[C@@H](C)O1 919913618 VLDCJMCEMDEHME-HUUCEWRRSA-N 441.532 4.280 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ncoc2-c2ccccc2)C1 444265053 LHRYODGQHCPQJJ-UHFFFAOYSA-N 428.536 4.379 10 20 IICD COc1cccc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1OC 726566336 VINKSPZTPOXOIH-UHFFFAOYSA-N 434.483 4.023 10 20 IICD Cc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc(C)c1OC(F)F 726627847 RTNJYPADWKNRCF-DHDCSXOGSA-N 434.489 4.410 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1 728513933 KKBMXJKEHICJLD-UHFFFAOYSA-N 431.536 4.487 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc21 728638927 NFTMLXVYRYVYEZ-AEFFLSMTSA-N 440.515 4.466 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 730663521 KZKWGEQPAVIYKQ-XMMPIXPASA-N 440.632 4.362 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)cc2)CC1 731016154 OKGOBKBGUOIKRJ-UHFFFAOYSA-N 444.579 4.289 10 20 IICD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1Br 731131043 CAQMSSFTVLZWCX-UHFFFAOYSA-N 444.373 4.249 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 731131330 KHJLQSJGAHVZEW-UHFFFAOYSA-N 435.568 4.499 10 20 IICD CCN(CC)c1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1F 731351838 BOENXIANEYKCFN-UHFFFAOYSA-N 445.882 4.392 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1F 731363203 AQQOPIKJYVSJKR-UHFFFAOYSA-N 427.568 4.447 10 20 IICD CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 735189325 YOWVERJLFWJFRX-FQEVSTJZSA-N 426.580 4.478 10 20 IICD O=C(NCCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F 743432116 CSKHFSWLGRPAAP-UHFFFAOYSA-N 428.435 4.002 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(COc2ccccc2)c1 743955052 GGALPMYYYIPQCH-UHFFFAOYSA-N 430.504 4.105 10 20 IICD Cc1cc(C(=O)COC(=O)c2ccc(CO)o2)c(C)n1-c1ccc(OC(F)(F)F)cc1 745378345 QYACXGOLJPFZCA-UHFFFAOYSA-N 437.370 4.118 10 20 IICD COc1ccc(CC[C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1O 756094504 AOOUYHXZZRTMMO-MRXNPFEDSA-N 438.490 4.367 10 20 IICD COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2cc3c(cc2Br)OCCO3)c1 756480801 ZTGOAURQTQGWCD-NWDGAFQWSA-N 436.302 4.124 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2cc(Br)c(F)cc2O)N(C)C)cc1OC 756662343 CMFJPRNIVJYZOO-SJKOYZFVSA-N 441.341 4.265 10 20 IICD Cc1cc(NC(=O)/C=C/c2cncc(F)c2)ccc1N(C)C(=O)/C=C\c1cncc(F)c1 757708859 RILGGYSIXHIRQV-JHYGWMECSA-N 434.446 4.391 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc(Br)cc4cccnc34)CC2)cc1 758572443 LCBONADTIVIKBM-UHFFFAOYSA-N 440.341 4.358 10 20 IICD Fc1cc(CNCc2cccc(Cl)c2F)ccc1N1CCN(c2ncccn2)CC1 759809651 IMXFUPXIKXVJPT-UHFFFAOYSA-N 429.902 4.025 10 20 IICD Cc1cc(N(C)C)ccc1CN1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O 761356883 ZEXOLXFHXVOHFM-OAHLLOKOSA-N 430.346 4.349 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1)C1CCCCC1 761912653 IPVKWZBDCUPICZ-UHFFFAOYSA-N 434.462 4.124 10 20 IICD Cc1cc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)s1 765278743 BDRVMKXDPADIEH-KRWDZBQOSA-N 425.577 4.471 10 20 IICD Cc1onc(-c2ccccn2)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 765384556 IQCONIYCEBRSJR-UHFFFAOYSA-N 428.439 4.045 10 20 IICD COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 766483241 FPNYKFJTOARAQC-LJQANCHMSA-N 444.531 4.468 10 20 IICD CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 766744277 UWULAASOJOPJQD-UHFFFAOYSA-N 432.527 4.322 10 20 IICD Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c12 768914160 CSSAVMHADSOTRZ-KRWDZBQOSA-N 440.931 4.162 10 20 IICD COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)OC(C)C 771369605 QOPXSBASEKRPBF-HYBUGGRVSA-N 442.556 4.258 10 20 IICD CC(C)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nn1-c1ccccc1 772428924 PLXYGVRKYLINIC-UHFFFAOYSA-N 432.568 4.134 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N(C)C)cc1 773847147 OTEXVOOMFZLESK-OAHLLOKOSA-N 448.489 4.188 10 20 IICD COC(=O)CCCN1C(=O)/C(=C\c2ccc(Cl)c(Br)c2)SC1=S 775637997 VBUXGDOSYUJMQG-XYOKQWHBSA-N 434.764 4.257 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)cc1 775825160 PEURVELWTHXXHB-UHFFFAOYSA-N 429.933 4.221 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](OC)c3ccccc3Cl)CC2)cc1 776205006 HQOSOHMRVFBKGU-VGSWGCGISA-N 431.964 4.347 10 20 IICD O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cnc(-c2ccccc2)nc1 780704057 ROSQDXQBEKABNL-UHFFFAOYSA-N 436.518 4.003 10 20 IICD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1ccc(C)c(O)c1O)CC2 780914065 DFWWACRHCMGNLO-UHFFFAOYSA-N 448.519 4.234 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3SCc3ccco3)cc2)CC1 786655673 HEWRFLFMWANDMF-UHFFFAOYSA-N 449.576 4.170 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)cc1F 792078813 BRMAQAATNNQZAH-GOSISDBHSA-N 448.564 4.270 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Br 797442626 GXBRDTJHRZTYGH-UHFFFAOYSA-N 429.767 4.181 10 20 IICD CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 803477361 ZGOYFCKTDDZLMB-LJAQVGFWSA-N 449.878 4.261 10 20 IICD CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1c(C)noc1C 807952451 IHKNCDMGOSDULY-IFXJQAMLSA-N 446.979 4.065 10 20 IICD CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1c(C)noc1C 807952453 IHKNCDMGOSDULY-KUHUBIRLSA-N 446.979 4.065 10 20 IICD O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(Br)c2O)C1 809686862 NOIYSUPHCZRKQU-LJQANCHMSA-N 431.374 4.258 10 20 IICD CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C(F)(F)F)cc1O 810212735 WVRAEJZSAHAOMU-QGZVFWFLSA-N 440.462 4.128 10 20 IICD CN(CCCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916631270 MENPDIHXNABVAZ-UHFFFAOYSA-N 435.490 4.316 10 20 IICD COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 917659430 ZMDMJJIHNUADQD-UHFFFAOYSA-N 441.391 4.123 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc2ccccc12 918117358 CONDFQSSAGRSRY-NQIIRXRSSA-N 430.552 4.102 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1-c1nccs1 918141364 VRLGNFOSLFCIKE-HZPDHXFCSA-N 442.560 4.233 10 20 IICD COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C(F)(F)F)c1 918309288 VXCWMMKPDZIKRZ-UHFFFAOYSA-N 449.473 4.301 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2nnc(C(F)(F)F)s2)cc1 919653112 VIAREPUVEZTRMV-UHFFFAOYSA-N 425.436 4.450 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 542945030 KRFCCZQOIRMKQQ-UHFFFAOYSA-N 444.535 4.389 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(Cc2ccc(F)cc2)CC1 726102298 GTHSOWLYOHHLRZ-UHFFFAOYSA-N 443.538 4.090 10 20 IICD O=S(=O)(c1ccccc1)N1CCCN(Cc2cc3oc4ccccc4c3cc2O)CC1 726962351 WFHFJIUAILJUBD-UHFFFAOYSA-N 436.533 4.188 10 20 IICD CC(C)Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 727249409 ZAFXBIIEKKXUFJ-UHFFFAOYSA-N 443.550 4.140 10 20 IICD Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 727707731 FACAZAONWCSDFK-UHFFFAOYSA-N 441.519 4.435 10 20 IICD COc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C 728596554 FPLOCQCOEJHEOZ-QZTJIDSGSA-N 429.536 4.098 10 20 IICD C[C@@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Oc1ccccc1 733763367 RFINDLYPRLPPNJ-LUJRCDHRSA-N 446.619 4.313 10 20 IICD CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)C2CC2)cc1 734392932 PTTHQXXEOFSZNU-GMAHTHKFSA-N 425.960 4.117 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1C[C@H]1c1c(F)cccc1F 734866272 ABBZTMYLEQEUNU-APWZRJJASA-N 437.437 4.390 10 20 IICD O=C(c1cc2cc(Br)ccc2[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 735519194 PITRRUFAMPFEPC-QGZVFWFLSA-N 429.314 4.457 10 20 IICD Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)n2)s1 743046797 RYVLXQRETQISMF-UHFFFAOYSA-N 435.531 4.009 10 20 IICD COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 743421546 MBSBMOQECMXHMA-UHFFFAOYSA-N 429.948 4.372 10 20 IICD C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 743557499 MITUAIGWYMKNJD-ZBFHGGJFSA-N 434.443 4.225 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 746787419 DETUHRGVUKEFSC-UHFFFAOYSA-N 447.520 4.087 10 20 IICD O=C(NCc1ccccc1O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 748346273 UQDQMILRVSPRRQ-UHFFFAOYSA-N 425.282 4.337 10 20 IICD O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 751101393 FBLUQMOZAHCTMQ-TZIWHRDSSA-N 429.948 4.015 10 20 IICD COc1ccc(NC(=O)[C@@H](OC(=O)c2csc(Cc3ccc(N)cc3)n2)C(C)C)cc1 751945949 SHXIHJMAIJAFGQ-NRFANRHFSA-N 439.537 4.145 10 20 IICD C/C(=C\C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)F 753309091 KVLBOIGUHRURQY-SAPNQHFASA-N 430.495 4.216 10 20 IICD CC(C)n1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1-c1ccccc1 754180050 DZMIMSITIJSYEN-UHFFFAOYSA-N 436.531 4.161 10 20 IICD C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 754321927 YDVWFKNMBKLIBR-KGLIPLIRSA-N 437.418 4.224 10 20 IICD C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 755021910 JCNZRAMKYMOUEA-ZDUSSCGKSA-N 449.305 4.077 10 20 IICD C[C@H](N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O 756611559 TZRVOWWZNJCHML-FPTDNZKUSA-N 444.484 4.283 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1ccc(Br)cc1O 756760193 MXUPAKTZJBPQNL-DGCLKSJQSA-N 445.151 4.008 10 20 IICD C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(N2CCOCC2)cc1Cl 760019441 RZCSRHBPEDRMSV-NFBKMPQASA-N 444.019 4.118 10 20 IICD Cc1cn2ccnc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c2n1 763606634 NVWJKNLHJAEQHU-UHFFFAOYSA-N 440.862 4.277 10 20 IICD Cc1ccc(F)c(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 767778366 KYOZYSQDTXUQGE-UHFFFAOYSA-N 439.453 4.331 10 20 IICD COc1ccc(-n2c(C)cc(CN(C)Cc3cnc(N4CCOCC4)s3)c2C)cc1 769528741 YZKKWBJDAINOLU-UHFFFAOYSA-N 426.586 4.028 10 20 IICD CN1CCN(CCC(C)(C)NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 771662905 DXLPRSXSFUYPJJ-UHFFFAOYSA-N 436.604 4.314 10 20 IICD C[C@@H](NC(=O)Nc1ccccc1OCC(=O)Nc1cccnc1)c1ccc(N(C)C)cc1 775792406 ROCCTGWKYFSJNI-QGZVFWFLSA-N 433.512 4.048 10 20 IICD COc1cc(NC2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc(OC)c1 776244397 JBMZTOMHWQSKOS-KRWDZBQOSA-N 426.561 4.117 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1O 779026414 BINKNCVALGJIKF-VQIMIIECSA-N 431.374 4.347 10 20 IICD Cc1cc(Br)ncc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897072 TYIXLLXFZQPYOT-UHFFFAOYSA-N 446.345 4.158 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(CC(C)(C)C)cs3)cc2)CC1 789487162 UGBUTGNUFHPFCO-UHFFFAOYSA-N 428.602 4.223 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 791917798 AGYOUQGHBGWTBH-UHFFFAOYSA-N 445.317 4.050 10 20 IICD CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)c2)C1=O 794264555 HLCNTBRTBLPFAW-QFIPXVFZSA-N 446.507 4.190 10 20 IICD Cc1nc2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 796652921 WCAMDVNZSIVHHJ-UHFFFAOYSA-N 440.416 4.280 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2Cl)C1 800049380 JLWNFGWBDBWXLT-CQSZACIVSA-N 445.903 4.186 10 20 IICD COc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1 812052879 KFRXADPZALMGKM-UHFFFAOYSA-N 430.508 4.256 10 20 IICD CN1CCN(c2ccc(CNc3ccc4c(c3)N(C(=O)Cc3ccccc3)CC4)cc2)CC1 815156821 DRYMZUURTDOQDL-UHFFFAOYSA-N 440.591 4.182 10 20 IICD CCC(CC)(CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC 817056410 BVZPRAVOUHLBFC-QINSGFPZSA-N 426.629 4.051 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnn3cccnc23)c(C)n1-c1cccc(C(F)(F)F)c1 883993243 PGMBMNMCZSRYAE-UHFFFAOYSA-N 442.397 4.195 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2C)cc1 906467678 YWHQJCAYNRREBP-UHFFFAOYSA-N 443.550 4.317 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(c2ccccn2)CC1 915779332 SSTUAHAUJDSVIC-UHFFFAOYSA-N 428.496 4.221 10 20 IICD Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917713944 KTNNPQNBDCHLFU-ZIAGYGMSSA-N 429.517 4.394 10 20 IICD CC(C)(C)c1nc2cc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2o1 918117911 SLHLQOHBTCNVJL-KRWDZBQOSA-N 449.555 4.149 10 20 IICD CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)c1ccccc1OCC(=O)NC 918634333 MZSNEHXACIEFGM-QFIPXVFZSA-N 433.552 4.408 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]3CCCO3)c2C)c1 921098516 LXVNADBSWBATLP-MJGOQNOKSA-N 431.554 4.126 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1)c1cc(O)c(O)c(Cl)c1 1797566470 PKUPEXNVIGRISS-BJWYYQGGSA-N 440.883 4.063 10 20 IICD C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739455 JCRCHTKWERYFAX-MOXGXCLJSA-N 448.991 4.421 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccnc3Cl)C2)cc1 1840969442 GCENYHUDYBWYHF-UHFFFAOYSA-N 448.954 4.273 10 20 IICD CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1 18468258 VXRDCBBEWZFGFY-UHFFFAOYSA-N 429.977 4.093 10 20 IICD Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1-c1ccc(Br)cc1 303924797 OSOCDOOLFHFRCN-UHFFFAOYSA-N 435.362 4.172 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 444002927 LQIDCJHVMKPGCG-FQEVSTJZSA-N 443.547 4.184 10 20 IICD COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 726621402 SZLDJBQXEPEXMU-IBGZPJMESA-N 428.964 4.027 10 20 IICD CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726718986 KXNGWJSWTAOUKD-UHFFFAOYSA-N 433.499 4.497 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 727034866 WEAATLXKFYKDAF-HSZRJFAPSA-N 445.007 4.011 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2cnn(-c3ccccc3)c2)cc1 728839292 JWZLNMVLCHDZCI-UHFFFAOYSA-N 430.474 4.462 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)CC1 731016746 XGAQIAMSHYMJPZ-UHFFFAOYSA-N 433.512 4.162 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCO3)nc1-c1ccc(OC(F)F)cc1 731058766 RBZCVFQZQGNTCQ-UHFFFAOYSA-N 438.477 4.456 10 20 IICD CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(F)cc3)cc2)CC1 731121159 OWJQXPLNYOXVHH-UHFFFAOYSA-N 426.580 4.335 10 20 IICD CN(C)c1ccc(CN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C2CC2)cc1 731323930 BIVQKOSMBUAAQA-UHFFFAOYSA-N 435.549 4.452 10 20 IICD Cc1ccc(C2(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CCOCC2)cc1 731991023 LQJVZGZJXMIVJQ-UHFFFAOYSA-N 444.522 4.430 10 20 IICD Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(Br)c1 734145859 OCVNJLDECPTTQW-WMZOPIPTSA-N 446.389 4.233 10 20 IICD CCCN(CCC)c1ccc(CNC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 735509320 XATZJQPLWRHLST-UHFFFAOYSA-N 443.657 4.397 10 20 IICD O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NCc1cccc(Br)c1O 738438805 FQIZPNUFJJYYBF-NRFANRHFSA-N 439.353 4.172 10 20 IICD O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)N(Cc1ccco1)Cc1ccccc1O 743213123 OVDABIZBCLSHBL-UHFFFAOYSA-N 448.458 4.212 10 20 IICD CCN(CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccc(C(F)(F)F)cc1 745782172 ZWQJIWDTICODAS-GOSISDBHSA-N 439.478 4.302 10 20 IICD CC(C)CN1CCC[C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 746325612 GKPCBMSUGJNQHT-QFIPXVFZSA-N 426.605 4.425 10 20 IICD CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 749694514 SNNGGISODXVYST-SFHVURJKSA-N 449.555 4.440 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1OCC1CC1 750726755 XIGLDFUMLVAUAS-UHFFFAOYSA-N 434.458 4.261 10 20 IICD COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)c2ccc(OC)cc2OC)cc1 752124617 LLRNXLURXFBILE-UHFFFAOYSA-N 449.507 4.040 10 20 IICD C[C@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(N2CCOCC2)cc1 755617737 PGKYHBMXFLAGRP-IBGZPJMESA-N 441.547 4.114 10 20 IICD C[C@@H](NCCCc1nnc2n1CCCCC2)c1cc(Br)cc(Cl)c1O 756532506 COCJOXZRWFCHKH-GFCCVEGCSA-N 427.774 4.409 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)Nc2cnc(Br)c(Br)c2)c1 758278749 IINWJRMSZRKSNF-QMMMGPOBSA-N 445.111 4.204 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1 758415163 FQFYUYAWHPAETQ-LBFZPMSMSA-N 435.473 4.311 10 20 IICD O=C(NCCSCc1ccnc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 758675639 PGMZIOWSQJSDCP-GOSISDBHSA-N 435.977 4.065 10 20 IICD Cc1cc(C(=O)COC(=O)c2cnc3nccnc3c2)c(C)n1-c1ccc(F)c(Cl)c1 759819079 QUQWDVAJCDGVLB-UHFFFAOYSA-N 438.846 4.265 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cc(F)ccc3Br)SC2=S)cn1 761181879 SMLNLKDMMWXJNS-QPEQYQDCSA-N 425.304 4.398 10 20 IICD C[C@@H]1C[C@@H]1c1noc(CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n1 762257292 YVUIUAWYCVUZSC-NRBNXJQPSA-N 436.356 4.357 10 20 IICD COc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CCC2 765283339 ZUDHCGOAWQIODS-XMMPIXPASA-N 447.558 4.118 10 20 IICD Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2cccc(Br)c2O)s1 765757671 SPJFWAWWUKNBGM-UHFFFAOYSA-N 438.343 4.153 10 20 IICD CCOc1ccc(O)c(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c1 769306973 XJZSJKKATLYGGE-UHFFFAOYSA-N 433.346 4.404 10 20 IICD O=C(Cc1csc(-c2ccoc2)n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771067227 UGPUNIQKYCAUOK-QGZVFWFLSA-N 431.945 4.085 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 779525873 NIKFIFRLRAKTAD-BNHFJAFVSA-N 437.879 4.441 10 20 IICD Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnc1N1CCCC[C@H]1C 780655378 IJCJURUUTUXNJU-HXUWFJFHSA-N 437.588 4.269 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 782446515 DXXIGSWXTMVOHT-UHFFFAOYSA-N 432.355 4.043 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 782568303 UQVDSALCIPUSRC-UHFFFAOYSA-N 438.528 4.481 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 789838076 MTGVEQPNPNQCAM-AUMHUTNHSA-N 438.549 4.299 10 20 IICD CCCOc1ccc(Br)cc1CNc1cc(CS(C)(=O)=O)ccc1OC 795289960 KUVJYEKKGOAPIX-UHFFFAOYSA-N 442.375 4.403 10 20 IICD CO[C@H](C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C)c1cnn(C)c1 798373997 YUUGEPCRXBAYBU-IBGZPJMESA-N 427.526 4.348 10 20 IICD Cc1cc(C(=O)NCc2ncnn2C(C)(C)C)c(C)n1-c1cccc(Br)c1 800641697 IUKYJSRPISLHNC-UHFFFAOYSA-N 430.350 4.133 10 20 IICD C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 809337518 FMPIFXFTJCTUTO-URKYITIBSA-N 444.603 4.368 10 20 IICD COc1ccc(N2CCCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3C)CC2)cc1 809852505 YLVNTDMQOXCCJM-KRWDZBQOSA-N 441.963 4.334 10 20 IICD O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2c(c1)OCCO2 916231157 HIUMWGALZDPYKH-VWLOTQADSA-N 443.503 4.066 10 20 IICD Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 916624571 HOGQTDLFPPSYGK-UHFFFAOYSA-N 449.624 4.166 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 916625048 CQPXMRPMAIVQHF-OAQYLSRUSA-N 441.597 4.304 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(C2CC2)nn1-c1ccccc1 916673545 VCFVNAKWUPWVHI-UHFFFAOYSA-N 449.530 4.172 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)CC2)cc1 916713828 WCVDKFMQVZBHRU-UHFFFAOYSA-N 448.498 4.441 10 20 IICD Cc1ccc(N=Nc2cc(C)ccc2NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 917370119 YHPRDQCNSPIZHQ-UHFFFAOYSA-N 435.509 4.155 10 20 IICD CCC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 917935005 KQZGQGATSAQFSW-HNNXBMFYSA-N 441.487 4.250 10 20 IICD Cc1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(C)n1-c1ccc(Cl)cc1 918008693 UBZPHGGIPYLIES-UHFFFAOYSA-N 425.916 4.375 10 20 IICD CNC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 918009689 MKBZRJPPPNUTAB-UHFFFAOYSA-N 426.314 4.469 10 20 IICD Cc1ccccc1OCCCN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918080956 IHCNLTZTADHTOY-BGYRXZFFSA-N 443.563 4.358 10 20 IICD Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 920873736 QUSXHOMUSZOERB-UHFFFAOYSA-N 447.539 4.108 10 20 IICD CCCCS(=O)(=O)N1CCC[C@@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1117203533 BFAQCZFLXQAXQP-HXUWFJFHSA-N 428.558 4.411 10 20 IICD COc1ccc(N2CCC(NCc3cc(OC)ccc3OCc3ccccn3)CC2)cc1 237572188 UJGHOYBCAMNGBX-UHFFFAOYSA-N 433.552 4.436 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)cc1 303049738 XWHUMPSCBQKXBA-UHFFFAOYSA-N 446.320 4.431 10 20 IICD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Oc2ccccc2)cc1 725901743 WAAQBLSGLFHYSR-HNNXBMFYSA-N 426.494 4.047 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OCC(F)F 726853175 FYDBGJUWXDMWJM-UHFFFAOYSA-N 444.434 4.105 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)COc1ccccc1F 726855940 AELMRIBHDKSBMQ-INIZCTEOSA-N 430.501 4.012 10 20 IICD Cc1ccc([C@@H](CN2CCOCC2)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 726873388 FKIDFIYXSSWBIJ-HSZRJFAPSA-N 438.572 4.057 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1cccc2c1OCCO2 727475989 HRSXFOVSJKQPGP-OAQYLSRUSA-N 439.581 4.058 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21 730796444 ALDHUZYWKLSWGR-LJQANCHMSA-N 429.561 4.034 10 20 IICD COc1ccc(N2CCCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)cc1 731049708 LLEAKSPWVUYWRP-UHFFFAOYSA-N 436.600 4.353 10 20 IICD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1Cl 731131154 CHPKPVQJVQBNNY-UHFFFAOYSA-N 429.948 4.230 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1F 731399019 NQGWMVWMWPLKBM-UHFFFAOYSA-N 444.532 4.189 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@@H](c2ccco2)C1 732128313 AFCVUDUEPUMPQS-MTOJCTJASA-N 432.592 4.339 10 20 IICD Cc1cc(C(=O)CN2CCN([C@@H]3CCCN(C)C3)CC2)c(C)n1-c1ccc(C(C)C)cc1 734487195 MYIJEHVUIYAFFW-RUZDIDTESA-N 436.644 4.112 10 20 IICD CCC[C@@H]1SCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 736093211 NDVIUIXXKDTRLQ-GRNBYLDVSA-N 426.654 4.431 10 20 IICD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 740800946 JYUMCEHQJYFKBI-GOSISDBHSA-N 429.586 4.396 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 741090005 AOGNHMQYSNHFPB-FQEVSTJZSA-N 447.514 4.341 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccccc3C(F)(F)F)cc2F)CC1 741927173 NRONJOGURWUIIF-INIZCTEOSA-N 437.481 4.406 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncn1-c1ccc(F)cc1 742799255 WERKFLDFIUADPX-MRXNPFEDSA-N 430.430 4.012 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(Oc2ccccn2)c1 743240319 XVNBRYRLFNOXCA-UHFFFAOYSA-N 432.524 4.404 10 20 IICD CCCc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 745266841 BJMGVJUSYLIHGZ-ZDUSSCGKSA-N 448.500 4.055 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1C 746802164 WZEGHJJYVNXWPU-UHFFFAOYSA-N 431.536 4.203 10 20 IICD Cc1cc(C(=O)CSc2nnnn2CC(F)(F)F)c(C)n1-c1ccc(F)c(Cl)c1 750959102 QXFXMWBJVXXTCI-UHFFFAOYSA-N 447.845 4.410 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2C)no1 751404499 GRTZTIVKWDNWGI-JOCHJYFZSA-N 436.556 4.278 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(OCc4cccnc4)c3)CC2)cc1F 753878739 IMABMAVIXAZDEI-UHFFFAOYSA-N 436.487 4.162 10 20 IICD Cc1cnc([C@H](N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)s1 754414114 RXEJGGPPXMNYCZ-LHSJRXKWSA-N 445.544 4.295 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(OCC(F)(F)F)c1 754550300 DSNYIHIYDHAXTA-UHFFFAOYSA-N 426.350 4.050 10 20 IICD COc1ccc(N2CCC(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)CC2)cc1 755673107 JJWHUSHYHJMODX-UHFFFAOYSA-N 441.547 4.194 10 20 IICD C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1O 756588652 HRWAYMBXDWCHGG-NSHDSACASA-N 448.329 4.336 10 20 IICD COc1ccc([C@H](N[C@H](C)c2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756622816 YZMAHBVMVGXBGV-CMJOXMDJSA-N 429.513 4.384 10 20 IICD CC[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Br)ccc1O 760032631 WUZVEXYFTILFKJ-OAHLLOKOSA-N 432.767 4.453 10 20 IICD COc1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Br 765246531 URWIUTCXPFCJSP-MAUKXSAKSA-N 446.389 4.010 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H](C)Cc3ccc(Br)cc3)CC2)cc1 765760871 OIBHXCOLZIKQJR-INIZCTEOSA-N 431.374 4.422 10 20 IICD Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 769982952 JGRKDLYUQHNAMH-CQSZACIVSA-N 445.566 4.029 10 20 IICD CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 771055700 CRNZQSFBSHLXAJ-HXUWFJFHSA-N 429.948 4.035 10 20 IICD CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773846414 LPXDMZRQSMAVKD-CQSZACIVSA-N 448.361 4.118 10 20 IICD CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCOC)c1ccc(Cl)c(Cl)c1O 775540543 LYEHRVWOEIETJI-MSOLQXFVSA-N 425.356 4.114 10 20 IICD COc1cc(NC2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc(OC)c1 776244421 JBMZTOMHWQSKOS-QGZVFWFLSA-N 426.561 4.117 10 20 IICD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 778231337 GMSONZLYVPIDCL-AWEZNQCLSA-N 440.535 4.035 10 20 IICD Cc1cc(Br)cc([C@H](C)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1O 779004719 YIPCPTJCZGFORA-INIZCTEOSA-N 446.389 4.217 10 20 IICD CCOC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccc(OC)c(Br)c1 779179874 ZBRZIRANTYGKOK-KRWDZBQOSA-N 428.710 4.211 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N)cc1 783481743 DIHZIGMCTMVMMM-MRXNPFEDSA-N 443.507 4.209 10 20 IICD C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 785813390 JJDNWQXIYDKWJN-IBGZPJMESA-N 435.572 4.493 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(Br)c(F)cc3F)CC2)cc1F 786166322 DEWPBGUZOCABCH-UHFFFAOYSA-N 444.251 4.229 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 797649293 UTRFMHRWXSSPSP-PBHICJAKSA-N 434.920 4.452 10 20 IICD Cc1cc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)ccc1OC1CCOCC1 797745345 OXYWKTONJSOKFZ-UHFFFAOYSA-N 448.903 4.031 10 20 IICD CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 798981040 HZHRTWNNIHVVFG-SFHVURJKSA-N 440.975 4.271 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(nc3O)CCCC4=O)cc2Cl)C1 800571421 JIHYZCIIUYHKDL-AWEZNQCLSA-N 427.932 4.126 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 802610743 OOLIDTDZUFPLSN-UHFFFAOYSA-N 431.483 4.038 10 20 IICD CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 819761439 QMXAGHJKOPORHU-UHFFFAOYSA-N 425.485 4.394 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OC)c1OC 915858583 MGIUCHAJBXWWDU-SFQUDFHCSA-N 430.551 4.184 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 916138637 RLEWWFLNRWYDPH-KRWDZBQOSA-N 447.373 4.020 10 20 IICD COc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC(C)C 916393553 PZTZQMQWHWZPRY-FQEVSTJZSA-N 428.529 4.079 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(C(=O)NC2CCCC2)cc1 916691503 LODNIMWGLJCZHM-UHFFFAOYSA-N 438.597 4.234 10 20 IICD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cc5ccccc5o4)cs3)c(F)cc2N1 917859414 OFEUDQWFGUGPKG-UHFFFAOYSA-N 443.481 4.381 10 20 IICD CCCCN(C)C(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 918700845 LFWRAZOJVASHDP-UHFFFAOYSA-N 425.573 4.213 10 20 IICD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccn2)c1 919792125 OWUKHGNZOODPDU-HXUWFJFHSA-N 446.551 4.058 10 20 IICD CCCCCCOc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919840256 FKSLDPYYSPSXSL-UHFFFAOYSA-N 430.570 4.133 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(COc2ccccc2)CC1 919904533 CXKGWDPNNXRXTQ-UHFFFAOYSA-N 425.598 4.240 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 920027615 QLJHNWIWBQVXDU-APWZRJJASA-N 447.501 4.217 10 20 IICD O=C(CSCc1cccs1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1317911681 PDXVAJSNNHOONR-UHFFFAOYSA-N 430.517 4.153 10 20 IICD Cc1cc(C(=O)NC[C@@H](O)c2cccc(F)c2)c(C)n1-c1cccc(Br)c1 110225309 HYSJSQMSIPTUTE-HXUWFJFHSA-N 431.305 4.459 10 20 IICD COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)cc1F 301558466 JNTWCKHFVXUREH-UHFFFAOYSA-N 433.409 4.032 10 20 IICD CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] 303674810 FFUAKJCTMFTDDP-UHFFFAOYSA-N 425.529 4.031 10 20 IICD Cc1cc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ncccc2c1 726602094 XQGNDAHXSJNVQI-UHFFFAOYSA-N 447.507 4.092 10 20 IICD COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)cc3)SC2=S)cn1 726986491 QOCJJRDPKFVQKD-RIYZIHGNSA-N 426.441 4.437 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccccc3OC(F)F)n2)c1 727246078 GXOUHFLUNBRLPM-UHFFFAOYSA-N 442.465 4.230 10 20 IICD Cc1cc(C(=O)COC(=O)c2csc(-c3cnccn3)n2)c(C)n1-c1cccc(F)c1 728384776 LLDBGJZXCSLZQS-UHFFFAOYSA-N 436.468 4.186 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2ccc(-n3cccn3)cc2)c(C)n1-c1ccccc1 729781952 GXNNVDLJYLQKLA-UHFFFAOYSA-N 433.533 4.078 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3ccc(Br)cc3C)cc2F)CC1 730134235 UGQFBDUGQMVVEN-UHFFFAOYSA-N 449.368 4.360 10 20 IICD Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c3c2CCC3)c(F)c1 730486402 MLWHJEXLSRXKLP-SFHVURJKSA-N 448.542 4.136 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4ccccc4F)C3)cc2F)C[C@@H](C)O1 730580818 UNYQNVDUJUPBAV-ZIFCJYIRSA-N 429.511 4.278 10 20 IICD O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 731051471 NMGLVIZYQYLAFS-UHFFFAOYSA-N 435.477 4.016 10 20 IICD CC(C)(C)[C@H](COc1ccccc1F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 732823477 WHQHYSCGDBCRNX-QFIPXVFZSA-N 447.526 4.094 10 20 IICD O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1 736195511 HYJIRWABXZLONX-UHFFFAOYSA-N 437.367 4.287 10 20 IICD COc1ccc(CN(C)C(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)cc1F 739926947 XSRKUJPSVPHJEM-UHFFFAOYSA-N 430.451 4.240 10 20 IICD CCc1noc(-c2ccc(C)c(NC(=O)N3CCCN(c4ccc(OC)cc4)CC3)c2)n1 751011860 MXUGLNJTMVDHSF-UHFFFAOYSA-N 435.528 4.360 10 20 IICD O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 752641017 IXFHKJQULKFYBS-MRXNPFEDSA-N 436.917 4.254 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)cc1F 753868264 UMCFYUNXRXQFFY-UHFFFAOYSA-N 435.883 4.003 10 20 IICD C[C@H](NC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1ccc(N2CCOCC2)cc1 754104953 PIWQCLCEEPKDEW-SFHVURJKSA-N 443.975 4.491 10 20 IICD COCCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 760808488 ZXHGVQNTVPONNO-QGZVFWFLSA-N 425.520 4.153 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)cnc2C)cc1F 760896095 KXXRVXWSEIVOBQ-UHFFFAOYSA-N 434.515 4.297 10 20 IICD CCSCc1ccnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 761966277 SQXBVFNOWSUMAI-UHFFFAOYSA-N 447.472 4.271 10 20 IICD Cc1noc(C)c1CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 762710672 WUFZMPGDHVYQOM-NRFANRHFSA-N 447.495 4.463 10 20 IICD C[C@H](Oc1cccc(Br)c1)C(=O)NCc1cccc(Br)c1O 765757662 SLMACHCTSPJRSC-JTQLQIEISA-N 429.108 4.001 10 20 IICD CC(=O)N(c1nn(CN2CCCc3cc(OC(F)F)ccc32)c(=S)s1)C1CC1 766351470 NVGCRUFJKWARCP-UHFFFAOYSA-N 426.514 4.201 10 20 IICD CC(C)Oc1ccc2ccccc2c1CNC(=O)NCc1ccc(N2CCOCC2)cc1 766597916 QCNWONVAOQDHSJ-UHFFFAOYSA-N 433.552 4.463 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 767923677 RPRGTPORKKMUCO-XUVXKRRUSA-N 432.486 4.481 10 20 IICD O=C(c1ccccc1F)N1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 768251797 LGOUQXCFJKNPLT-UHFFFAOYSA-N 440.519 4.072 10 20 IICD O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 769395150 HBFGNPTWRXCCCS-UHFFFAOYSA-N 431.410 4.166 10 20 IICD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 769660738 SUMVDRFKBWVRBR-VWLOTQADSA-N 448.611 4.354 10 20 IICD CC(C)Oc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 771510861 BJYGSVHARNUXSK-UHFFFAOYSA-N 448.361 4.395 10 20 IICD CCCN(Cc1ccccc1O)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 772797954 KFCBVRNMGKWKMY-AWEZNQCLSA-N 429.542 4.149 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)c1 778604491 LGZSTCHZMFOPTB-ZDUSSCGKSA-N 426.419 4.162 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1CCC(c2ccc(F)cc2)CC1 781928499 LXGOEFVEGKXTAC-UHFFFAOYSA-N 443.538 4.452 10 20 IICD Cc1cc(C(=O)COC(=O)Cc2csc(NC(=O)C(C)C)n2)c(C)n1-c1ccccc1 782352374 HGBSBNAQDJAOGR-UHFFFAOYSA-N 439.537 4.114 10 20 IICD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c2cccnc12 782423735 HSLQDWDOPDYWKY-UHFFFAOYSA-N 442.519 4.370 10 20 IICD C[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(N2CCOCC2)cc1 782495805 HASVSRBOSJCRSX-OAHLLOKOSA-N 432.355 4.262 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)c1ccc(N)cc1 783486724 QVMFUJAQRLAARZ-QGZVFWFLSA-N 443.482 4.327 10 20 IICD COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 786874326 MQXVZPZEAXWCJY-UHFFFAOYSA-N 448.541 4.264 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 787419217 WGKUABLZDFKGCW-TZMCWYRMSA-N 429.464 4.319 10 20 IICD Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1CO 787583993 NKTMYAMHFVGFSU-WQRHYEAKSA-N 446.619 4.477 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccc(N2CCOCC2)cc1 788887838 YVNFUFAXZVHDDI-GFCCVEGCSA-N 433.332 4.009 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1OC 789728762 WVRZKKMZWZYEPP-UHFFFAOYSA-N 444.943 4.121 10 20 IICD CCOc1cc(O)ccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 791143142 ZXULEDBFTCQIJH-ATVHPVEESA-N 448.591 4.473 10 20 IICD CC(=O)c1cc(CN2CC=C(c3cccc(Cl)c3)CC2)c(O)c(CN2CCOCC2)c1 794672228 HOFFEURYARBZHK-UHFFFAOYSA-N 440.971 4.370 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4cc(Br)ccc43)cc2)C1 794795905 JLKGGVWAEHBEFJ-XMSQKQJNSA-N 442.401 4.318 10 20 IICD C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 794842843 SVGLPQJZSNUFLV-KUHUBIRLSA-N 444.881 4.459 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)o3)n2)cc1 799636640 UHZLDGULQHYOFY-UHFFFAOYSA-N 429.317 4.365 10 20 IICD CNC(=O)CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccs1 802699924 LCOWVOXZMFFRJE-UHFFFAOYSA-N 448.596 4.035 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCCn4c(cc5ccccc54)C3)cc2F)CC1 806750228 NTQXLUNRTISSFT-UHFFFAOYSA-N 449.574 4.038 10 20 IICD Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)C 807408788 UAXTYFGOQCHSCS-LEEZEASISA-N 425.573 4.083 10 20 IICD O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 808114443 YRCFIOXUJKDUSG-SNVBAGLBSA-N 436.288 4.054 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1 808362239 KWNLFZDLGVYLRD-BRWVUGGUSA-N 435.565 4.092 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CN(Cc2ccccc2)CCC1(F)F 808498038 GKOYFJKMRKOHAP-LJQANCHMSA-N 447.489 4.492 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 857432530 DNZJVFLDOKFZLT-UHFFFAOYSA-N 442.337 4.054 10 20 IICD CC(C)(C)CCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 915169148 SFITWZWVVICWKV-UVTDQMKNSA-N 441.416 4.203 10 20 IICD Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc12 916590565 ABIVLXFBUUKPRS-UHFFFAOYSA-N 440.452 4.045 10 20 IICD Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917713306 KTNNPQNBDCHLFU-OKILXGFUSA-N 429.517 4.394 10 20 IICD O=C1CCCc2cc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)ccc2N1 917847844 RTYIKOZOAUKUDJ-UHFFFAOYSA-N 435.477 4.164 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c2cccnc12 917902263 DOUVVGLMQLIJSG-UHFFFAOYSA-N 432.552 4.241 10 20 IICD O=C1/C(=C/c2ccc(OC(F)F)cc2OC(F)F)SC(=S)N1Cc1ccon1 1116290397 GUPZLGONVPULRB-XGICHPGQSA-N 434.392 4.279 10 20 IICD CC(C)n1ncc2c1[C@H](NC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CCC2 1116628511 BIYCWJCWYUFKIX-CBGDNZLLSA-N 443.567 4.094 10 20 IICD CN1CCN(c2ccc(CN3CCC(c4noc5cc(F)ccc45)CC3)cc2F)CC1 1117641982 QUHAXGFKUJZNIL-UHFFFAOYSA-N 426.511 4.237 10 20 IICD Cc1cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1 1251471502 FNJHNUVEPSNCNL-MRXNPFEDSA-N 443.345 4.342 10 20 IICD C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 1318630394 STRXYVXLYCDPSB-SZPZYZBQSA-N 438.635 4.345 10 20 IICD C[C@H](OC1CCCCC1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1318742401 WXBLYRGWUQIJNC-LAUBAEHRSA-N 433.593 4.172 10 20 IICD Cc1cc(-c2nnc(-c3csc(N4CCOCC4)n3)o2)c(C)n1-c1ccc(F)cc1 1322260375 DVCJOYHQEQBABJ-UHFFFAOYSA-N 425.489 4.243 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccoc3)C2)cc1 1841951423 LPZRTWXPHMKRHI-IZZDOVSWSA-N 429.520 4.218 10 20 IICD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)s1 1842196810 HPAWIPSPZANKGO-UHFFFAOYSA-N 449.576 4.295 10 20 IICD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)cc1 1845398280 VGILDOFKQAFNSY-UHFFFAOYSA-N 441.575 4.462 10 20 IICD Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 34721003 YHIIYOQGBHJAFL-WOJGMQOQSA-N 435.530 4.134 10 20 IICD CC(=O)N(C)C1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 110985606 IAICXDVBYXJYQF-UHFFFAOYSA-N 435.490 4.238 10 20 IICD COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC(F)F 208234390 RYLMVBAFUZQELE-GXDHUFHOSA-N 431.482 4.143 10 20 IICD COc1ccccc1[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1noc(C)n1 303612203 ORWWICOPILKANC-QFIPXVFZSA-N 434.471 4.453 10 20 IICD COc1cc([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1OC 725845677 FPOJYFGILRLVHR-MRXNPFEDSA-N 429.517 4.462 10 20 IICD O=C(NCc1ccnc(OCC(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1O 726092912 FIPORGRFHJAPQT-UHFFFAOYSA-N 435.402 4.233 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1(c2cccc(F)c2)CCOCC1 726566354 VZOCFCRDWBCCHH-UHFFFAOYSA-N 448.485 4.261 10 20 IICD COc1ccc([C@@H]2CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C2)cc1 726719166 NSSKFBYKMKADBK-GOSISDBHSA-N 445.510 4.465 10 20 IICD CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 731049372 WOXBAHZQIBERPU-IRLDBZIGSA-N 428.621 4.149 10 20 IICD C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 732063539 UORKOANZAMVMSE-FGZHOGPDSA-N 435.612 4.044 10 20 IICD O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NCc1ccccc1OC1CCCC1 732203577 XCMNXPRIUBYMDO-QHCPKHFHSA-N 438.568 4.011 10 20 IICD Cc1cc(CC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 734451155 PRNWMRYSZRHHRQ-UHFFFAOYSA-N 449.982 4.336 10 20 IICD Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 738987932 ZZPXLLJTXOEYBK-RBBKRZOGSA-N 438.572 4.117 10 20 IICD CN(C)c1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1F 740820467 HGDXCULEVXQASJ-LJQANCHMSA-N 435.927 4.427 10 20 IICD CCN(CC)c1ccc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 742381438 UEFFMBZHSLOQAO-UHFFFAOYSA-N 435.659 4.101 10 20 IICD COc1ccccc1-c1noc([C@H](C)NCc2cc(Br)cc(OC)c2O)n1 742390497 ITRWPOJXRJQRID-NSHDSACASA-N 434.290 4.073 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccc3ncsc3c2)NC(=O)OC(C)(C)C)cc1 742750179 AXOQTQSCLGOUGT-IBGZPJMESA-N 440.569 4.358 10 20 IICD CCc1nsc(N2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)n1 743397696 QPVKNADWZFIMBH-UHFFFAOYSA-N 433.375 4.044 10 20 IICD CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 743966302 VWOBQYKMSSWNBF-OAHLLOKOSA-N 436.472 4.180 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 745451553 BPLINABNQOKWRT-UHFFFAOYSA-N 440.563 4.117 10 20 IICD Cc1cc(-c2csc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])n2)c(F)cc1F 749009781 JDJNEAOVTHKQGA-UHFFFAOYSA-N 429.401 4.245 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCCCC1 750732800 YRFJAAZBAVFSMA-IBGZPJMESA-N 439.579 4.165 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1C[C@@H](C)C[C@@H](C)C1 751937629 SVEJWVKUFCXTRA-MRUHUIDDSA-N 429.586 4.002 10 20 IICD CCc1noc(CC)c1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 755435181 HQOPFXILRBVZAR-BOPFTXTBSA-N 449.623 4.159 10 20 IICD C[C@H](Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F)c1cc([N+](=O)[O-])ccc1O 756858420 PHGHJZNIERSJMH-CABCVRRESA-N 430.480 4.426 10 20 IICD Cn1cc(-c2nc3ccccn3c2NC(=O)N(Cc2ccco2)Cc2ccccc2O)cn1 757250117 FQEBZFJBLLMBRZ-UHFFFAOYSA-N 442.479 4.268 10 20 IICD O=C(NCCCSc1nccs1)NC1CCN(c2nc3ccccc3s2)CC1 759577120 ZRAPYRRUCNQTNF-UHFFFAOYSA-N 433.628 4.203 10 20 IICD O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 759588478 LSKMDLQTGKNPHB-PFQQOQBSSA-N 437.879 4.213 10 20 IICD C[C@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1Cl 766452390 FZQSBARMRKTTPN-INIZCTEOSA-N 433.946 4.492 10 20 IICD Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccc(Br)c3O)C2)cc1 769206486 MLUBWKKQIHMMHY-INIZCTEOSA-N 432.362 4.497 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 769713974 RGSVBZFJUTZWDX-MRXNPFEDSA-N 429.325 4.048 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1I 771302686 YLJSBUANIAQHIZ-UHFFFAOYSA-N 436.337 4.337 10 20 IICD C[C@H](c1cccs1)N1C(=O)/C(=C/c2ccc(N3CCN(C)CC3)cc2)SC1=S 771515233 ZFEROKPSFWLEPG-ATPAHOSSSA-N 429.636 4.462 10 20 IICD COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 772764246 BREJPLWTRVSURT-VGLXENQISA-N 433.460 4.351 10 20 IICD COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 779604692 MHIPLFYHLNAKCS-LBPRGKRZSA-N 449.183 4.328 10 20 IICD C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 781049272 LILGRHYOBHOOOS-RYUDHWBXSA-N 448.488 4.058 10 20 IICD Cc1nc(Br)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782896993 SBUTVSMJYCWQRM-UHFFFAOYSA-N 446.345 4.158 10 20 IICD Cc1oc2c(CN3CCC[C@@H](C4(C)OCCO4)C3)c(O)ccc2c(=O)c1-c1ccccc1 784039079 WICRNLWWASBCPW-LJQANCHMSA-N 435.520 4.449 10 20 IICD CC[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1 785387676 LADJUAOMWVUXMB-OAQYLSRUSA-N 433.552 4.184 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3c(-c4ccccc4)oc(C)c3C)cc2)CC1 786660099 VIUNPEURFKNLKW-UHFFFAOYSA-N 431.536 4.162 10 20 IICD COC(=O)[C@@H](C)N(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 797350771 FNGGVEZFMQMTIF-KAKMCVKYSA-N 443.547 4.421 10 20 IICD O=C(c1ccccc1)c1ccc(O)c(CN(CCc2ccccn2)Cc2cccnc2)c1O 797422302 VHJDMPYPXZXLQX-UHFFFAOYSA-N 439.515 4.364 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c1 797665998 VVUKRTOECCYFKI-UHFFFAOYSA-N 435.303 4.004 10 20 IICD Cc1ccc([C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 798088206 JWEALAIXMYJLKF-JPYJTQIMSA-N 445.585 4.158 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(N4CCNC4=O)c3)cc2Cl)C1 800001776 NBSNDLHNZWEOMH-MRXNPFEDSA-N 441.963 4.428 10 20 IICD Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 800914942 CIBQBQKXAJTUCQ-KRWDZBQOSA-N 429.460 4.089 10 20 IICD Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(O[C@H](C)CC(C)C)c1 807292048 SYGBMEWPDXLABR-OAQYLSRUSA-N 449.595 4.117 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(c2ccc3cccc(O)c3n2)CC1 807838622 ZIJFNUPFVOZURB-UHFFFAOYSA-N 446.334 4.486 10 20 IICD CC[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C(F)(F)F)cc1O 810238671 SAIZZPZZULHEFN-HOCLYGCPSA-N 431.252 4.441 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc3c(F)ccc(F)c3c2)cc1 815155235 YYDCJDKMBDMJCM-IBGZPJMESA-N 425.479 4.400 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 887568013 RAUHKLRYRVPABY-HSZRJFAPSA-N 429.564 4.124 10 20 IICD COc1ccc2c(c1)c1c(n2Cc2nc(CC(=O)Nc3ccc(C)cc3)no2)CCCC1 904250591 YIWSNWGXSOVVDJ-UHFFFAOYSA-N 430.508 4.450 10 20 IICD COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1OC 914577986 JCSSFTLMFSUGED-UHFFFAOYSA-N 440.543 4.489 10 20 IICD Cc1cc(Br)oc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457641 JVZCDWXKBUKESZ-UHFFFAOYSA-N 447.251 4.136 10 20 IICD Cc1cc(CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)c(C)n1-c1ccccc1 916716406 PEXXPKRHRNCRGR-UHFFFAOYSA-N 432.524 4.411 10 20 IICD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nccs1)CC2 917584574 QQIPFGXLZGGBGF-NRFANRHFSA-N 426.563 4.427 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2ccccc2c1C(F)(F)F 917709967 XJTCGNGLSGAMSI-UHFFFAOYSA-N 433.405 4.159 10 20 IICD COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 917861277 MVKCTPPNUUVNII-UHFFFAOYSA-N 443.550 4.203 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cc4c(s3)CCCC4)cc2F)C[C@@H](C)O1 918220408 XJCIOQJUXZIUCX-IYBDPMFKSA-N 431.577 4.379 10 20 IICD Cc1ccc(Cn2ncc3c(C(=O)NCCCSc4nccs4)cc(C)nc32)cc1 1116065026 JVLWSLYDPTZPAA-UHFFFAOYSA-N 437.594 4.465 10 20 IICD COc1ccc(NC(=O)c2ccc(NCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)cc1 1256047530 BAIPNUOTOZADIJ-UHFFFAOYSA-N 448.542 4.451 10 20 IICD CN1CCN(c2ccc(CN3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)cc2F)CC1 1341568423 WUZFSFWMPRYWCG-DEOSSOPVSA-N 431.983 4.177 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)CC2CCC2)CC1 1832836541 XOGWZPDOJNUZHW-LJQANCHMSA-N 434.964 4.175 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)ccc21 726709400 OAMJNOFEVHCMTR-FQEVSTJZSA-N 449.530 4.347 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)n2)c[nH]1 727247806 OEGAYFRRIHCXMN-UHFFFAOYSA-N 432.310 4.032 10 20 IICD FC(F)Oc1ccc(N2CCC(NC(=S)Nc3ccc4c(c3)OCCCO4)CC2)cc1 727281136 AEWLMEBOWJSRMT-UHFFFAOYSA-N 449.523 4.405 10 20 IICD CSCCCN1C(=O)/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)SC1=S 728610820 NUUWCJBAUCSGHE-OVCLIPMQSA-N 436.605 4.493 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 728948927 KHMOZWRLTQDYNO-LSDHHAIUSA-N 448.361 4.050 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 734703987 VAXVDBNEKHJRMV-IBGZPJMESA-N 431.536 4.456 10 20 IICD Cc1nc(C(C)(C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C 737036670 FYUZFCUOHXHMDO-ZIAGYGMSSA-N 434.581 4.247 10 20 IICD CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C2=O)cc1 741670786 JNXAJZQDNAZKEZ-QHCPKHFHSA-N 437.609 4.033 10 20 IICD CN(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1 742798743 PYPQZAHZNQZDRW-XLIONFOSSA-N 437.918 4.329 10 20 IICD C[C@H]1Sc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2NC1=O 742801020 WQFKVQGUAABGRT-UKRRQHHQSA-N 447.507 4.120 10 20 IICD Cn1ccc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc21 743204134 AIFIQDGTBWMBCX-UHFFFAOYSA-N 432.446 4.355 10 20 IICD Cc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1NC(=O)c1ccncc1 743861211 PIDJHIQQAMPFFT-UHFFFAOYSA-N 446.576 4.126 10 20 IICD CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cc(Br)ccc1O 743871115 RNKFSCYQWBZKJQ-UHFFFAOYSA-N 433.262 4.135 10 20 IICD C[C@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 746034320 URZTWIRFZFWVIG-SFHVURJKSA-N 439.556 4.290 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3coc4ccccc34)SC2=S)c1 746522431 LVDAQNXNOJAYAJ-VCHYOVAHSA-N 444.559 4.089 10 20 IICD COc1ccc(N2CCC(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)cc1 747845989 NPGFRKOTIYLUFL-UHFFFAOYSA-N 425.529 4.441 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 750858535 AYQNFRPISHADIE-UHFFFAOYSA-N 442.512 4.385 10 20 IICD CN(C)C(=O)C[C@@H]1CN(C(=O)NCCCSc2nccs2)c2ccc(Cl)cc21 751446226 KEAGBLLRJFTSML-CYBMUJFWSA-N 439.006 4.070 10 20 IICD Cc1cc(-c2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1 752850556 JQPMDARKQWLQMV-GGAORHGYSA-N 449.599 4.394 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)CC2)cc1F 753894661 LFICOTBNXIFVCU-UHFFFAOYSA-N 443.519 4.073 10 20 IICD C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc(Cl)ccc1O 756442803 GETRMIALZBNYHD-INIZCTEOSA-N 441.938 4.152 10 20 IICD COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2ccc(C)c(C)c2O)c1 756563869 PCFQIOHMCFGVOO-OAHLLOKOSA-N 435.362 4.251 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 757633409 SBVURDKMUMECBT-OAQYLSRUSA-N 439.531 4.033 10 20 IICD Cc1cc(C(=O)CN2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 759874349 IPSRUMDTQUGBNT-JGVYIQDASA-N 442.503 4.018 10 20 IICD CC(C)Oc1ccc(N(C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 759932406 DFTNXUHGLMMOJU-UHFFFAOYSA-N 435.524 4.096 10 20 IICD CCOC(=O)c1nc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c[nH]1 763644654 ZTJQZEIMTUKRNK-UHFFFAOYSA-N 431.290 4.009 10 20 IICD O=C(NCc1cccc(Br)c1O)N[C@H]1C[C@@H]1c1cccc(Br)c1 764771293 WSSHUUGGXARTKF-HIFRSBDPSA-N 440.135 4.273 10 20 IICD COc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1Br 765299598 VDOSBEHJPDTJRC-UHFFFAOYSA-N 430.096 4.248 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c(F)cccc1Br 768913413 ZLJPICRUCFKBJF-CQSZACIVSA-N 441.728 4.342 10 20 IICD C[C@H](Oc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 769862751 ABXVOYWRVXPIRZ-HNNXBMFYSA-N 426.494 4.156 10 20 IICD O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(Br)sc1Cl 771168824 FXHLXYWNGKNCAW-UHFFFAOYSA-N 435.796 4.243 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F)c1ccc(N(C)C)cc1 773850251 YMZSMKSGCYQLFU-AWEZNQCLSA-N 444.507 4.055 10 20 IICD COc1c(Br)cccc1/C=C1\SC(=S)N(CCc2cccnc2)C1=O 773897085 HXTUWLBDBNHQDU-GDNBJRDFSA-N 435.368 4.297 10 20 IICD C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(N(C)C)cc1 775409476 GKCKLNJHQRCFOP-BXKMTCNYSA-N 429.520 4.186 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H](c3c(F)cccc3F)C(F)(F)F)CC2)cc1 776006271 HDNRQWQJBVYSGX-IBGZPJMESA-N 443.416 4.499 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 783504364 JWQWEWBXKIYRIK-WSTZPKSXSA-N 435.584 4.319 10 20 IICD CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1 788842160 MZFAGPFRICBIFQ-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC(C)CC1 792966476 GRJGVHPOAJMOMM-UHFFFAOYSA-N 425.520 4.151 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)cc1 793577525 UYLRECSIWWMGOU-NWDGAFQWSA-N 430.339 4.499 10 20 IICD CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 795554573 OCLWPJWOLVOQJE-UHFFFAOYSA-N 441.531 4.000 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cc2)CC1 801014997 JKPZMRKXUYUFEA-RUZDIDTESA-N 444.620 4.369 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 801549850 DEOGDKZAPNEOBU-JOCHJYFZSA-N 438.568 4.229 10 20 IICD Cc1occc1C(=O)Nc1nc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 807837293 KCAUQIPDUJEFAE-UHFFFAOYSA-N 440.308 4.168 10 20 IICD Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 807837852 FCBVWABUTXWLKF-UHFFFAOYSA-N 437.352 4.261 10 20 IICD COc1ccc([C@@H](Cc2ccccc2)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 810211852 XBLXKLOWCOLWLT-SHQCIBLASA-N 443.591 4.471 10 20 IICD COc1ccc(C[C@](C)(O)CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1OC 810256432 ZLNGWXZARBLIPP-BVZFJXPGSA-N 430.564 4.478 10 20 IICD CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1O 812214304 MRXNOJLGBLSMOK-LJQANCHMSA-N 443.592 4.391 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3cc(Cl)c(F)cc3Cl)CC2)cc1 814804856 HZFSCNMZMRMASC-UHFFFAOYSA-N 440.346 4.083 10 20 IICD C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 823801536 ILKWQDBYLBAZNE-CYBMUJFWSA-N 432.407 4.343 10 20 IICD O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)n2)c1 884218067 DIBJQAOTACPXPD-UHFFFAOYSA-N 445.400 4.418 10 20 IICD COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918221063 NJFSZRFBNLASGP-KURKYZTESA-N 429.536 4.351 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Br)ccc2C)cc1 918309857 KONMGDCITCNOAW-UHFFFAOYSA-N 432.362 4.201 10 20 IICD O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918466903 DMWALPZFMJXMFG-UHFFFAOYSA-N 443.463 4.314 10 20 IICD CCOc1cc2c(cc1NC(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)O[C@@H](C)C2 920872531 MQBCXUWTOTVEEV-DLBZAZTESA-N 425.529 4.128 10 20 IICD CCN(CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 921123412 SWERXRZCXKQDIT-JOCHJYFZSA-N 438.616 4.138 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2CCCCC2)CCO3)cc1 1781753779 MEZXLBFBJGLBJQ-HHHXNRCGSA-N 449.595 4.118 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 97044427 SVNZSIYVYQZGIE-JWQCQUIFSA-N 438.568 4.132 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2F)C[C@H](C)O1 108468901 YJJCHPYANLZWBL-ROUUACIJSA-N 439.531 4.144 10 20 IICD C[C@H](Nc1ccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1)c1ccccc1 301139726 GZDFLYAKTFPYKP-INIZCTEOSA-N 444.578 4.410 10 20 IICD CC(C)Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 303038518 VRFIDXBFRBPXHS-UHFFFAOYSA-N 440.559 4.265 10 20 IICD COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 303645322 JBEMUBJCLWAIDS-WJOKGBTCSA-N 440.565 4.250 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 541093543 VDKWHQVBQFYCBJ-UHFFFAOYSA-N 433.299 4.071 10 20 IICD COc1ccc(-c2csc(CNC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c2)cc1 576662122 ZMWJUCHASBWYMJ-UHFFFAOYSA-N 447.560 4.156 10 20 IICD O=[N+]([O-])c1cc(Cl)cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1O 725848154 KSJUJDGGSJFZJJ-UHFFFAOYSA-N 426.782 4.448 10 20 IICD CSc1cccc(N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 726151839 NOKXTPRLILOICG-UHFFFAOYSA-N 432.457 4.369 10 20 IICD CN(CCCNC(=S)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1ccccc1 726487396 NQGSPHANYVFKRB-UHFFFAOYSA-N 447.033 4.433 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 729280391 SWPCWFMRAMCNFM-FDDCHVKYSA-N 448.519 4.116 10 20 IICD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731016172 OXYYOUVMXGTMEI-HSZRJFAPSA-N 439.625 4.091 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)N[C@@H](c1ccccc1)c1nccs1 731845321 XMOPBKDZOJNHIQ-QHCPKHFHSA-N 433.533 4.350 10 20 IICD COc1cccc([C@H](O)CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 732295936 KEGUDTIHTJLKAS-OAQYLSRUSA-N 443.341 4.329 10 20 IICD C[C@H](Oc1ccccc1Br)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735519189 PGRQTNZVLQZFSY-DOTOQJQBSA-N 434.330 4.130 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc(N4CCNC4=O)ccc3F)c2C)c1 738697740 ULIXDHMUZBRWMT-UHFFFAOYSA-N 449.482 4.111 10 20 IICD COc1cccc([C@@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 742752129 YUKUYFRCCCXLHD-VGSWGCGISA-N 441.572 4.247 10 20 IICD Cc1cc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2C)no1 742798688 BTENMNXSMQYATG-QGZVFWFLSA-N 444.482 4.391 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 743113937 KJPXTKZULJTBQT-UHFFFAOYSA-N 434.334 4.347 10 20 IICD O=C(NCCCCCN1CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743603548 CWKMALLHNFVIOX-LJQANCHMSA-N 438.563 4.212 10 20 IICD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 743885255 ZNIVGEJMFYFNSE-UHFFFAOYSA-N 425.598 4.492 10 20 IICD Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 745690757 DIAIZXJRUJLHIX-ZJSXRUAMSA-N 434.584 4.052 10 20 IICD CC[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 745803501 SBGHSHOMNYLUAC-NRFANRHFSA-N 445.585 4.035 10 20 IICD CCOc1c(OC)cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC 747544616 QADRSAXGMPSQQY-UHFFFAOYSA-N 427.545 4.043 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 750862168 VZYFGIIQCCYXOM-UHFFFAOYSA-N 444.597 4.398 10 20 IICD C[C@@H](NC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1ccc(N2CCOCC2)cc1 754104948 PIWQCLCEEPKDEW-GOSISDBHSA-N 443.975 4.491 10 20 IICD Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)NCCCSc2nccs2)c1 754206543 ZRHREBYGRZWGGD-UHFFFAOYSA-N 427.551 4.481 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCCCSc3nccs3)ccc21 758594042 AFQBRPFRFQZSBJ-UHFFFAOYSA-N 445.614 4.270 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 762202351 MUYSJHIXVMKTRW-UHFFFAOYSA-N 439.518 4.293 10 20 IICD C[C@H]1CN(c2ccc(CNC3CCN(c4ccc(N(C)C)cc4)CC3)cc2F)C[C@@H](C)O1 765128314 UGLFOKSCVKGSMC-BGYRXZFFSA-N 440.607 4.264 10 20 IICD COc1ccc([C@@H]2CCCC[C@H]2NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1F 765257432 YFPKRYVVQLXLGW-ODGPQVTHSA-N 439.575 4.352 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 765375647 JCVIBHNGVZOLTD-XPWALMASSA-N 429.605 4.181 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 768702113 OVOBTFBEBUVGIW-GOSISDBHSA-N 443.416 4.294 10 20 IICD O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1 769209158 QHRCEDZNSCEJTM-UHFFFAOYSA-N 439.299 4.347 10 20 IICD COCCCN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 774015126 IIIMVYYQNAGQMQ-FQEVSTJZSA-N 430.530 4.160 10 20 IICD C[C@@H](NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1 774733712 LSFMEUUTIKDINB-HXUWFJFHSA-N 429.564 4.268 10 20 IICD Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 775116562 ZNMHBUXMOREFBW-UHFFFAOYSA-N 437.565 4.308 10 20 IICD COc1cc(CNCc2cccc(Br)c2O)c([N+](=O)[O-])cc1OCC(F)F 775153238 SDCOKSXLEYOZNW-UHFFFAOYSA-N 447.232 4.005 10 20 IICD COc1ccc([C@@H](NCc2cccc(Cl)c2O)c2cccc(S(C)(=O)=O)c2)cc1 776221814 UMLSEQOCFPYNIS-OAQYLSRUSA-N 431.941 4.337 10 20 IICD CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)o1 776743279 GFRXKFMSTRWENS-UHFFFAOYSA-N 444.490 4.239 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O 779021682 FKGHMLMJCQCDKN-UONOGXRCSA-N 441.391 4.125 10 20 IICD O=C(Nc1ccc(NC(=O)C2CC2)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895977 IMJPBTBGKYZTFF-UHFFFAOYSA-N 435.524 4.041 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(s3)-c3ccccc3CC4)cc2)CC1 786257789 TUDKSLNGJMQVIC-UHFFFAOYSA-N 445.588 4.112 10 20 IICD CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788939441 UGYCTPGOPDIBNW-UHFFFAOYSA-N 442.563 4.014 10 20 IICD O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 798170643 ZURDELSSSBBSDK-QGZVFWFLSA-N 429.423 4.201 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1 800506158 MHYVAKONAKMRNU-FUHWJXTLSA-N 425.520 4.260 10 20 IICD CC(C)c1nnc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn12 801744452 VOZHKLAWVSENJE-OAHLLOKOSA-N 444.486 4.245 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 802658105 JQJZBBJMEACEAF-UHFFFAOYSA-N 425.554 4.353 10 20 IICD CCN(C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](C)c1cc2ccccc2o1 803300692 KFZPXZNXZRDBGL-MOPGFXCFSA-N 449.551 4.056 10 20 IICD O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1cc(Cl)cc(Cl)c1O 804861404 XTEWTHOGOSFORQ-UHFFFAOYSA-N 436.339 4.325 10 20 IICD O=C(NCc1ccccc1OCC1CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 806353566 PYQNRIVMUOYKKK-UHFFFAOYSA-N 436.552 4.159 10 20 IICD CC[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1O 810212429 AYRKOYMQVXHHLT-OAQYLSRUSA-N 438.490 4.363 10 20 IICD CCOCCCn1c(C2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 812189955 NCTWIFFCFBIHOI-UHFFFAOYSA-N 427.593 4.088 10 20 IICD CC(C)CNC(=O)NC(=O)[C@@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772917 IVCADMMTOVAKOR-GGNJANJASA-N 447.607 4.475 10 20 IICD Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)c(C)n1-c1cccc(C(C)C)c1 816569510 OEUMRTDEBQFUBU-FQEVSTJZSA-N 435.572 4.243 10 20 IICD O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(OC(F)F)c(F)c1 857472785 NXNGBHGRWLGKPZ-HNNXBMFYSA-N 428.838 4.181 10 20 IICD O=C(COc1ccc(F)cc1)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 890215642 VSVPIWZCZSNFCH-UHFFFAOYSA-N 435.363 4.492 10 20 IICD C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916509916 ZSCROCILTFACEX-AWEZNQCLSA-N 427.492 4.034 10 20 IICD CCc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cs2)cc1 917708164 AHCAZARJGNGMIH-UHFFFAOYSA-N 439.556 4.207 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1Cl 917711594 UOIBKJOYKUZJRZ-UHFFFAOYSA-N 427.701 4.008 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)C1 918024852 CCLWPJNFQIDCQB-JOCHJYFZSA-N 428.536 4.377 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 1116252054 BCSQRYGKGCIDNU-UHFFFAOYSA-N 431.945 4.396 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](OC)c1ccc(F)cc1 1340110276 PQPDXJFXFHMSKB-GOSISDBHSA-N 425.298 4.213 10 20 IICD CCCOc1c(Cl)cc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 71983529 BSBWUXKQNGMIFW-UHFFFAOYSA-N 432.948 4.499 10 20 IICD CC(C)Cn1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2c1=O 105052340 DXTVUUNHZNLAHC-UHFFFAOYSA-N 432.568 4.315 10 20 IICD COC(=O)c1sc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1Cl 301118144 ZZQRASJBUIERBJ-UHFFFAOYSA-N 435.855 4.051 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(-c2ccc3c(c2)OCO3)n1 726526862 VGLWUDMCBKMKNV-UHFFFAOYSA-N 439.562 4.022 10 20 IICD Cc1ccc(OCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1 726611243 SAKYBENCHSEKPC-UHFFFAOYSA-N 433.499 4.252 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cc(-c4ccccc4)on3)cc2F)C[C@H](C)O1 726848426 AAKYRPAJCHPXCG-IRXDYDNUSA-N 438.503 4.094 10 20 IICD COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 727249546 ALVMWHILHQMRHR-UHFFFAOYSA-N 440.905 4.498 10 20 IICD CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccc(C)cc1 728838916 ANXMYMLNABKSIF-NRFANRHFSA-N 435.490 4.219 10 20 IICD CC(C)COc1ccc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 730174908 PSDQITUQIUBILC-KDURUIRLSA-N 428.548 4.333 10 20 IICD COC(=O)C1CCC(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 730224767 VBSDIYPJPACSPA-UHFFFAOYSA-N 433.346 4.318 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 730387663 XRWISHNRTZTLNZ-UHFFFAOYSA-N 435.480 4.405 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 732703591 BTHKORMSHBNJCC-UHFFFAOYSA-N 435.499 4.034 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)OCc3ccccc3Cl)ccc21 733282156 BFFZWTASNKQPSX-UHFFFAOYSA-N 428.916 4.031 10 20 IICD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCCCSc2nccs2)cc1 733971692 BGYMWRYOEAYHQE-IRXDYDNUSA-N 447.626 4.224 10 20 IICD Cc1ccc(Nc2cccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2)nn1 736072510 LTIYYFSUGBJHNY-UHFFFAOYSA-N 442.567 4.313 10 20 IICD CCc1ocnc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 740269048 INTYDIHGLCREJF-UHFFFAOYSA-N 431.286 4.447 10 20 IICD CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743130148 NNPHEYDOTWDRAR-KRWDZBQOSA-N 432.471 4.061 10 20 IICD COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NCc3cccc(OC)c3O)s2)cc1 745821403 QGTMGQAALLJXGP-CQSZACIVSA-N 427.526 4.402 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 746117469 FFJDURRIZSNBLR-UHFFFAOYSA-N 433.552 4.149 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 746201250 UTFOSHYKFHHMOY-UHFFFAOYSA-N 448.539 4.385 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc(-c2ccccc2Cl)s1 747641559 CPVDZFTUYQGLME-UHFFFAOYSA-N 431.920 4.369 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc1F 751084051 FFRKLQRYAPRBMF-UHFFFAOYSA-N 448.583 4.213 10 20 IICD Nc1ccc(Cc2nc(C(=O)O[C@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 751931729 PQMRNGRCVJDYPJ-IBGZPJMESA-N 441.940 4.322 10 20 IICD C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1noc(Cc2ccccc2)n1 753048361 ARQGAFZJISJKER-KRWDZBQOSA-N 432.480 4.432 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)cc1 755837757 NZEUNXUYUULRHU-UHFFFAOYSA-N 433.512 4.367 10 20 IICD CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)cc1 756458811 KQNNTXMBSOIFMT-ZDUSSCGKSA-N 431.385 4.378 10 20 IICD Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 756525144 ALHJACJPIAVBGG-KRWDZBQOSA-N 438.540 4.017 10 20 IICD C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)ccc1O 756572233 JMKMLCNUPPDSMR-INIZCTEOSA-N 425.504 4.137 10 20 IICD CN(C)CCn1ncc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1-c1ccccc1 763986114 JSAYJTVKONYEBA-UHFFFAOYSA-N 445.611 4.374 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCOc2cccc(F)c21 764271270 DHHPRQUKEJJDHW-VBKFSLOCSA-N 448.566 4.294 10 20 IICD C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)c(F)c1 765378878 BZMPSAVMRIWWBF-LJQANCHMSA-N 445.604 4.451 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(OC(C)(C)C)n3)cc2F)C[C@H](C)O1 767199140 RAFUUDVOGDWUBQ-IRXDYDNUSA-N 444.551 4.011 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(F)cc3cccnc23)c1 767415813 PZSHEARVQLUVSG-UHFFFAOYSA-N 428.467 4.118 10 20 IICD CN1CCN(c2ccc(CNCc3cccc(NC(=O)c4cccc(F)c4)c3)cc2)CC1 771825158 XFSFCLNUSKEMDK-UHFFFAOYSA-N 432.543 4.120 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC(OC[C@H]2CCCO2)CC1 775666027 QXDHBFLYQOGPFI-OAHLLOKOSA-N 449.183 4.077 10 20 IICD COc1ccc(N2CCCN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC2)cc1 779853932 LUMDRISXEJELKJ-UHFFFAOYSA-N 429.492 4.449 10 20 IICD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 792331035 UYMLKMHNYKEZPN-UHFFFAOYSA-N 446.290 4.483 10 20 IICD CC[C@H](Nc1cccc(N2C(=O)CCNC2=O)c1C)c1cc(Br)ccc1O 800499516 YELTWZQOAHPQJH-HNNXBMFYSA-N 432.318 4.473 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)NCC4)cc2Cl)C1 800542053 ZLKPDIVMYFBZIO-HNNXBMFYSA-N 426.948 4.184 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 800569938 DBNGQHICMVIGOJ-UHFFFAOYSA-N 443.853 4.439 10 20 IICD CCc1nnc(O)c(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1CC 800711564 KSZKYZIGDRNSQI-HNNXBMFYSA-N 445.995 4.196 10 20 IICD CCCCN(CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1ccccc1O 801596679 JPBVRMNRIBFVND-JOCHJYFZSA-N 426.557 4.375 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCc2cscn2)c1 802609910 MFXXEIINXCZDIC-UHFFFAOYSA-N 439.537 4.195 10 20 IICD O=C(NCC1(c2ccccn2)CCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 805838497 CSUKJNLPNLDIGP-KRWDZBQOSA-N 430.499 4.073 10 20 IICD Cc1cc(CNC(=O)C(=O)NCCCSc2nccs2)ccc1-c1ccccc1 806275401 FOPAUOPVUVFFNX-UHFFFAOYSA-N 425.579 4.033 10 20 IICD Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807562716 UJKMITBWWLLUAO-KRWDZBQOSA-N 440.588 4.191 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 807767753 SOMBGGWKXWAQFJ-IBGZPJMESA-N 431.536 4.460 10 20 IICD CSc1ccc(F)cc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807845740 XNIZBJLWQWXTKI-UHFFFAOYSA-N 430.545 4.231 10 20 IICD COc1cc(Cl)cc(CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1O 809679168 CMSJIOFRXMEDAD-UHFFFAOYSA-N 432.929 4.491 10 20 IICD Cc1cccc(Br)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 811881102 STHGKMWAOFZTQK-GASCZTMLSA-N 435.337 4.440 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 813513702 RKPRHQPEWFZAGX-IIBYNOLFSA-N 442.556 4.437 10 20 IICD CC(C)(C)OC(=O)CNC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814771275 NLUYGUPXALXMGS-OVCLIPMQSA-N 448.591 4.063 10 20 IICD Cc1nc(C(C)C)oc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 815710860 XMKIUPHDIJNKDZ-SFHVURJKSA-N 430.549 4.168 10 20 IICD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 916127272 JNZCFQKNPQDYNU-FOWTUZBSSA-N 447.451 4.148 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 916127413 TZVZRTURPCUNMH-UHFFFAOYSA-N 442.313 4.290 10 20 IICD O=C(CSc1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457845 OWHWKYKSKHHZEJ-UHFFFAOYSA-N 446.441 4.229 10 20 IICD CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C2CC2)cc1 918455470 BZMXFCVBBPIGNN-UHFFFAOYSA-N 438.528 4.145 10 20 IICD COC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 919653133 WZPQRHLBEJLSIT-UHFFFAOYSA-N 437.496 4.132 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCCOc3ccc(F)cc3F)cc2F)C[C@H](C)O1 921281545 UGYGPEORJHAZAC-HOTGVXAUSA-N 436.474 4.193 10 20 IICD O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775958 YTOKRRCCPDGDCD-UHFFFAOYSA-N 442.821 4.451 10 20 IICD CC(C)CCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791256915 WGOVBOHWEIKRIB-UHFFFAOYSA-N 446.551 4.350 10 20 IICD Cc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)s1 1794888505 IUHQJBYLGICIBI-QQFNCUIESA-N 448.592 4.425 10 20 IICD CN(CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(N2CCCCC2)cc1 11193252 XVWYNVNUHKQNGF-UHFFFAOYSA-N 431.527 4.069 10 20 IICD Cc1ccc(-n2nc(C)cc2NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1 96970929 ABTCICVCJGMVSZ-UHFFFAOYSA-N 430.508 4.429 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)ccc21 590705071 LEWQGIBOIAXIPD-SFHVURJKSA-N 441.522 4.439 10 20 IICD O=C1/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1CCc1ccccn1 726196951 HSFQZFKVVVYCSR-XPFMCRKWSA-N 426.563 4.083 10 20 IICD Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)N2CCCC2)cc1 726245007 GCYKTXKLGBVIDY-PXDATVDWSA-N 436.600 4.029 10 20 IICD Cc1cc(I)ccc1NC(=S)NCCCN(C)c1ccccc1 726433394 FWQHGBBUZQKQHH-UHFFFAOYSA-N 439.366 4.413 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccnc4c(Br)cccc34)cc2)C1 726595837 RAQOJAPSBMUMKQ-INIZCTEOSA-N 439.357 4.311 10 20 IICD O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 726717821 FJYVAZSZVNDHPH-SLFFLAALSA-N 445.357 4.401 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 728950487 QEKKVPAMPNCUOU-GJZGRUSLSA-N 448.361 4.050 10 20 IICD CCN(CC)C(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731048061 FNHWGGZMBCDTJB-UHFFFAOYSA-N 436.600 4.404 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3oc4ccccc4c3CN(C)C)cc2F)C[C@@H](C)O1 733889464 SEWFYCZNJRCNHD-CALCHBBNSA-N 439.531 4.177 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 734405647 VLYRJDNWULBQCK-UHFFFAOYSA-N 427.448 4.397 10 20 IICD Cc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@H]1CCCO1 735328394 ANOXOFAVTNTEBL-BSNPHMGVSA-N 442.562 4.418 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCOc2cc(F)ccc21 735641573 OHOSNUURGYNWQT-ATVHPVEESA-N 448.566 4.294 10 20 IICD Cc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1OCCN1CCCC1 735983798 NKZZTRKBFGJZCO-UHFFFAOYSA-N 426.630 4.283 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCc1ccc(O)cc1 736219946 FLQHJLZCXRYECP-NBVRZTHBSA-N 446.619 4.184 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Sc2ccccc2Cl)nn1 741749021 WHSUVHFDCFPYSL-UHFFFAOYSA-N 440.956 4.048 10 20 IICD CN(C)c1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1F 742385282 VQRWKTDKFRGUPK-QHCPKHFHSA-N 448.510 4.453 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C 745672837 KAMDFEARFJPXOJ-GOSISDBHSA-N 438.341 4.128 10 20 IICD O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 745841303 LVAIWONNXNXBMB-WOJBJXKFSA-N 443.975 4.405 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 746343193 CLKIMIYKKREOHP-CYBMUJFWSA-N 449.345 4.218 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(C)n1-c1ccc(F)cc1 753701851 WZCWIHMNJNZHEY-PZJWPPBQSA-N 428.529 4.259 10 20 IICD CSCC[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1O)c1nnc2ccccn12 756367168 XDMRAJWXAXLWMI-XHDPSFHLSA-N 439.354 4.482 10 20 IICD CC[C@H](N[C@H](C)c1cc(Br)ccc1O)c1ccccc1OCC(=O)N(C)C 756431782 DZWXNPAJSIAPTN-KDOFPFPSSA-N 435.362 4.424 10 20 IICD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 759034238 YYIIIHGKCNMQKD-HXUWFJFHSA-N 432.568 4.005 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(CN2CCCCCC2)cc1 761183118 RCXHTPDTQVEJCU-UHFFFAOYSA-N 441.959 4.386 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)C[C@@H](C)O1 761904002 PBXPKOALYGAKHK-BETUJISGSA-N 426.414 4.175 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1Cc1ccccc1 769638151 ZXCVDZMSTSQVLJ-GOSISDBHSA-N 442.562 4.102 10 20 IICD C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N(C)C)cc1 773847146 OTEXVOOMFZLESK-HNNXBMFYSA-N 448.489 4.188 10 20 IICD O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 774208930 LBNCZEPYAVSJQH-KFKAGJAMSA-N 435.475 4.135 10 20 IICD COc1ccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)c(OCc2cccnc2)c1 774911621 GDXYCNSXUNTTGB-UHFFFAOYSA-N 437.515 4.139 10 20 IICD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1F 775053675 ZZJCOLWAPYZDCE-UHFFFAOYSA-N 448.453 4.390 10 20 IICD O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 778916352 FMIBGXCNACUHSI-UHFFFAOYSA-N 428.444 4.014 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)c1 779220553 DXNFLJCZVZCUFS-XGICHPGQSA-N 444.763 4.250 10 20 IICD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCCCSc1nccs1 780512558 WPZHDZTZLHSLFZ-IBGZPJMESA-N 441.578 4.009 10 20 IICD COC(=O)COc1ccc(N(C)Cc2coc(-c3ccc(Br)cc3)n2)cc1 784559722 HMRKJCHBHBGXJL-UHFFFAOYSA-N 431.286 4.292 10 20 IICD CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Cl)cc1 786037473 LYYCEKLVLWFOGZ-FQEVSTJZSA-N 426.900 4.435 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc1 788977769 MQLKQLHPRXOPFY-FQEVSTJZSA-N 435.490 4.267 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1OCc1cn2ccccc2n1 789650523 DZEPTYNHXKMJRQ-UHFFFAOYSA-N 428.492 4.019 10 20 IICD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCCCCCF 791681411 IUVFJVVLXVIJRQ-GXDHUFHOSA-N 446.363 4.333 10 20 IICD Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(Cl)cc2-n2cncn2)C1 792979790 NGXCUZWVULHOBW-LJQANCHMSA-N 432.355 4.034 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)CC(=O)N4C)cc2Cl)C1 800564747 DXDYHERHWMXODM-OAHLLOKOSA-N 426.948 4.417 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](F)c1ccc(C(F)(F)F)cc1 801914703 DILNNMMWIPYGFN-LJQANCHMSA-N 428.401 4.133 10 20 IICD Cc1ccc(-c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2Cc2cccs2)o1 802699417 CCCBYAMGUFFMGH-UHFFFAOYSA-N 449.580 4.429 10 20 IICD CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(C(F)(F)F)cc1 803662568 YARHMXSMPVWBHM-LJQANCHMSA-N 439.453 4.040 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 806846295 JCQHGKOAAMQLHO-HNNXBMFYSA-N 437.462 4.069 10 20 IICD Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807094251 UFILHUFNGNDIPT-GCJKJVERSA-N 435.593 4.400 10 20 IICD O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807180716 LOIAPGLTZGDLID-OFNKIYASSA-N 432.520 4.042 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC2CCCC2)nc1 807930285 IHEMVPKKYZATHU-UHFFFAOYSA-N 439.556 4.405 10 20 IICD Cc1cc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C)c(C)n1-c1ccccc1 809860218 ZZDLPZAXVNDKMU-QFIPXVFZSA-N 447.505 4.419 10 20 IICD CN(Cc1ccccc1O)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC1 812408439 JAAWDIUFWALANL-OAHLLOKOSA-N 443.345 4.086 10 20 IICD CCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 914440139 WKRLWMHSOMASFR-BENRWUELSA-N 438.625 4.172 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 914505899 DSBZAKMXQRSXNU-UHFFFAOYSA-N 445.519 4.193 10 20 IICD CCOc1cc(F)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 916473175 CWTFQMPMIVXKGY-UHFFFAOYSA-N 434.379 4.160 10 20 IICD CC(=O)c1ccc(OCCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917714394 VJPWGEYYVDBLMC-QZTJIDSGSA-N 442.531 4.117 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 918228987 SKJNUWYDVPHNIR-UHFFFAOYSA-N 438.572 4.102 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(COc2ccc(F)cc2)o1 919968179 CQAZKCXTBIJFIX-UHFFFAOYSA-N 438.499 4.136 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](Cc4nccn4C)C3)cc2Cl)C1 1322674119 GZNCLSNEKAYGLB-UYAOXDASSA-N 444.023 4.474 10 20 IICD COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc(-n3c(C)ccc3C)ccc1Cl)C2 1324327810 UWIFVBZPQLYLLK-OALUTQOASA-N 429.992 4.461 10 20 IICD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1sccc1Cl 1800716417 IZYBPKSYSOGQLN-ZSBIGDGJSA-N 441.336 4.032 10 20 IICD COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 23199790 DAHMSJZCKCZVGL-MRXNPFEDSA-N 440.471 4.434 10 20 IICD Cc1c(CNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)n(C)c2ccccc12 472283861 JNWYSUMIYNQGGH-MRXNPFEDSA-N 438.959 4.432 10 20 IICD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)n[nH]c1C 727249372 XEEBTUABSYEYAC-UHFFFAOYSA-N 448.570 4.018 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc21 728639162 NVAQEWLVPSVJMA-QHCPKHFHSA-N 438.499 4.220 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2ccc(F)c(F)c2)CC1 729226576 JILTWIUVSGFDLG-UHFFFAOYSA-N 433.474 4.030 10 20 IICD COC(=O)c1ccc(-c2nc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cs2)cc1 731844649 LYIMVUTUFBXXLZ-NRFANRHFSA-N 438.549 4.484 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Cl)cc1Br 733251141 BMRIHIQOCNFRLC-UHFFFAOYSA-N 437.765 4.140 10 20 IICD Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 735326157 MRDRJLHIEQWXMG-NRFANRHFSA-N 442.604 4.156 10 20 IICD O=C1CCc2cc(-c3csc(NC(=O)NCc4ccc(N5CC=CC5)cc4)n3)ccc2N1 740680586 PLLGVZBFLFLSED-UHFFFAOYSA-N 445.548 4.393 10 20 IICD Fc1ccc2oc(CNCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc2c1 742367565 CAXCBCWWLJZHNF-UHFFFAOYSA-N 435.478 4.117 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccnn3C3CCCC3)ccc21 744951242 OVCUPXLUMAMUNK-UHFFFAOYSA-N 438.528 4.012 10 20 IICD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H](Cc3ccc(C)cc3)C2)c1 747799010 WKLQEMXICQNCPZ-HSZRJFAPSA-N 436.596 4.190 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 752658190 BCLXCMUMVCOLAW-UHFFFAOYSA-N 432.446 4.325 10 20 IICD Cc1cc([C@H](C)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)s1 754117739 CMUNGOIOWWHNPU-INMHGKMJSA-N 433.593 4.085 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 757552694 WRQDVMZWEHMARP-UHFFFAOYSA-N 426.878 4.190 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1COc2c(Cl)cccc21 757670014 ZAFGJHQGSYKUTM-SFHVURJKSA-N 437.874 4.343 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)cc1 767359258 FJBQPVJOVVEQGM-OVCLIPMQSA-N 449.351 4.427 10 20 IICD COc1ccc(-c2ncc(C(=O)NCc3cccc(Br)c3O)s2)cc1OC 768303797 MQHPVCNIGDAULH-UHFFFAOYSA-N 449.326 4.225 10 20 IICD Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 769765507 MFSYDYZWTRUOTB-UHFFFAOYSA-N 446.507 4.264 10 20 IICD C[C@@H](NCc1cc2c(cc1Br)OCCCO2)c1ccc(N2CCOCC2)cc1 777723131 YJFBLARGLMUXIG-MRXNPFEDSA-N 447.373 4.298 10 20 IICD Fc1cc(CN[C@@H](c2ccccc2)C(F)(F)F)ccc1N1CCN(c2ncccn2)CC1 783670587 OAHFXNUIKJYDFT-NRFANRHFSA-N 445.464 4.336 10 20 IICD COc1cccc([C@H]2C[C@H](C)CN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)c1 784006143 CNMYTAKRLNPKLP-AVRWGWEMSA-N 438.568 4.019 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C2CCCCC2)cc1 784057776 FYLOCVNFADHCJX-UHFFFAOYSA-N 437.931 4.412 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 786340180 KBGQYFXFMPHUSF-UHFFFAOYSA-N 447.333 4.047 10 20 IICD Cc1sc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1-c1ccc2c(c1)CCC(=O)N2 799186577 ATOIBLDPSYSYES-UHFFFAOYSA-N 435.477 4.082 10 20 IICD COc1ccc(O)c([C@H](C)Nc2ncnc(CC(C)C)c2I)c1 804431390 PSNUWGOUZOADQX-NSHDSACASA-N 427.286 4.167 10 20 IICD O=c1c(Cl)c(/C=C/c2ccc(N3CCOCC3)cc2)nc2ccc(Br)cn12 806564254 NLEQDHWMTQCNNT-XVNBXDOJSA-N 446.732 4.117 10 20 IICD O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O 807543776 LWGJYIMDGPHEJS-RBBKRZOGSA-N 432.520 4.357 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 807679946 KQOWRALDWMEFJL-DEOSSOPVSA-N 431.536 4.130 10 20 IICD Cc1cnn([C@@H]2CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)C2)c1 811957955 NQYOPKIKCARGCS-LJQANCHMSA-N 427.346 4.449 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 812154345 RASLLMTWMVHOTC-OAHLLOKOSA-N 447.504 4.307 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(Cl)ncc1Br 813044162 RREPYILUKYBERU-UHFFFAOYSA-N 428.677 4.460 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)cc2F)C[C@H](C)O1 814284555 SJLSIDGYQAPLJI-UGJIMAENSA-N 429.511 4.324 10 20 IICD Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccn1C(C)C 815710342 JIRLRFBGBXMJLC-OAQYLSRUSA-N 428.577 4.439 10 20 IICD CC1CCN(S(=O)(=O)c2ccc(NCc3c(O)cccc3Br)cc2)CC1 863988984 FIPDEAIYGHSLQU-UHFFFAOYSA-N 439.375 4.187 10 20 IICD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 914505411 DSGJSZDSDKZDPD-UHFFFAOYSA-N 445.629 4.142 10 20 IICD CCCCOc1ccc(OC)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 915343606 KENYFXUBBCIZRX-UHFFFAOYSA-N 427.545 4.375 10 20 IICD O=S(=O)(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 915851960 QITMQIXTEGTNDV-MOHJPFBDSA-N 445.544 4.372 10 20 IICD O=C(NCC1(N2CCCCC2)CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 915890158 CBQCWKYMQIWRMK-JOCHJYFZSA-N 429.605 4.272 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(N2CCSCC2)cc1 917386771 XIQLPLDGXVDWPX-UHFFFAOYSA-N 438.572 4.040 10 20 IICD CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917580615 FHFPQJUVJKMGIX-HOTGVXAUSA-N 445.560 4.103 10 20 IICD CCOc1cc2c(cc1NC(=O)N1CCCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2 918033238 OPXGSZHZPUZPIS-KRWDZBQOSA-N 425.529 4.162 10 20 IICD CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919792268 SRBXSXSHORBPPS-HXUWFJFHSA-N 425.573 4.131 10 20 IICD CCCCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920865870 PVMBHOHRKDCRET-IBGZPJMESA-N 432.586 4.132 10 20 IICD CCN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 921061618 IJZMFHGTZRKSAU-UHFFFAOYSA-N 428.920 4.067 10 20 IICD Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cs1 1795287180 ZKGAFHIPTQXNNB-QQFNCUIESA-N 448.592 4.425 10 20 IICD COc1ccc(-c2nc(CNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)n[nH]2)cc1 110978286 PPEYQXRAIPZBQD-UHFFFAOYSA-N 435.915 4.471 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 437009618 JYWXLUSJPWBJOH-UHFFFAOYSA-N 449.511 4.240 10 20 IICD CC[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1 727248567 HWUQZRQENREITM-AWEZNQCLSA-N 440.554 4.100 10 20 IICD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2OCC2CC2)c1 728833328 DUQARMKLOIJQLG-UHFFFAOYSA-N 429.520 4.220 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1sccc1OC(F)F 729322824 JJXRDZMOVOEVNJ-UHFFFAOYSA-N 436.402 4.135 10 20 IICD CCN(CC)C(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 729360465 QSJOGNZHUMXVBW-UHFFFAOYSA-N 445.510 4.169 10 20 IICD CCC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccn1 729656758 LCDZHEAQJICTNK-LJQANCHMSA-N 429.432 4.036 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccc(F)cc1 731036042 DSPRQEQLMUECMU-HXUWFJFHSA-N 430.520 4.043 10 20 IICD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N(C)C)cc3C)ccc21 734651185 YPPZLOPIBXMBNM-UHFFFAOYSA-N 435.572 4.206 10 20 IICD CS[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 742742113 RILRYWIBSOMTJN-VVKGIKJRSA-N 426.654 4.130 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)NC(=O)OC(C)(C)C)cc1 742751089 RKWNDIAZQMSXGS-NRFANRHFSA-N 449.555 4.139 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 742799295 JFLWGOMTPGUCGP-MRXNPFEDSA-N 446.454 4.169 10 20 IICD C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742804402 YALHIOPCNJRMFD-CVEARBPZSA-N 434.458 4.421 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 743623476 GPWJHBZNBIHIHN-UHFFFAOYSA-N 432.480 4.438 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1Oc1cccnc1 743957804 BCDUGEVMRSQIAH-UHFFFAOYSA-N 431.492 4.022 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)COc1ccc(F)cc1F 745767417 KGAMPUJBNNQNTL-GFCCVEGCSA-N 443.288 4.432 10 20 IICD CCOc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 745906015 UYSDMEBMKFZLCQ-SFHVURJKSA-N 433.499 4.497 10 20 IICD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 747757265 HWQKCRMLYISRCL-QGZVFWFLSA-N 446.389 4.235 10 20 IICD C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(Br)cc1O 756644049 YIIJEWUTMYIRSU-ZDUSSCGKSA-N 446.370 4.392 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(Br)c(F)cc1O 756770862 XZDWNPGXVDEBMM-STQMWFEESA-N 430.339 4.197 10 20 IICD COc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)cc1-n1nnnc1C1CC1 757612255 JEHVFAPSEWAGDC-SNVBAGLBSA-N 448.296 4.329 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1 758414511 AWHSLYNVQRUCPC-LVLBFHFTSA-N 433.576 4.132 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 758415524 ITSNJMHOXXLTEY-RNEAKCBISA-N 429.519 4.041 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(-c3cccnc3)c2)cc1 759788337 WZPDSNIOUIGEKV-UHFFFAOYSA-N 427.508 4.189 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nc(-c2ccc(Br)cc2)no1 761794317 SJZMOQGKIQQPQY-LBPRGKRZSA-N 431.290 4.107 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccccc1I 765212967 WLUFFURCONSTST-UHFFFAOYSA-N 447.070 4.081 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(C)(C)c1cccc(Cl)c1F 768946983 YNWDRRHULYIRER-UHFFFAOYSA-N 433.955 4.435 10 20 IICD O=C(Nc1ccc(Cl)cc1F)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769598274 VPSBYLGYCDNWAK-UHFFFAOYSA-N 426.878 4.299 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 773764024 ZOEFQIUKVCVZGH-ZDUSSCGKSA-N 443.297 4.409 10 20 IICD C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(N(C)C)cc1 775403135 GQOITFKTMOFBRG-KOSHJBKYSA-N 431.536 4.197 10 20 IICD COC(=O)c1ccccc1-c1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 775951207 DHFQHHYSUXUESK-UHFFFAOYSA-N 434.536 4.232 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 782785389 TYNSWJXVQTWPAF-UHFFFAOYSA-N 437.523 4.187 10 20 IICD COC(=O)c1csc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C 783483032 MGRGAJOMUOJOAC-OAHLLOKOSA-N 437.521 4.158 10 20 IICD Nc1ccc(N(C(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C2CCCCC2)cc1 784058658 ZIRWOKNRNCYXRG-HSZRJFAPSA-N 437.540 4.131 10 20 IICD COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 789063485 UEVZZDNAZNJNQC-INIZCTEOSA-N 428.504 4.079 10 20 IICD O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCCCC(F)(F)F 794862098 NPWLNNIZFLCQHJ-ZSOIEALJSA-N 430.452 4.340 10 20 IICD CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 797432767 RKUKAPCMCYLMKQ-SPEDKVCISA-N 443.567 4.093 10 20 IICD Cc1ccc(-c2cccnc2)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 797654601 QRNFKOFKLPXEBK-UHFFFAOYSA-N 434.515 4.479 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)cc2Cl)C1 800545479 SMDUXIJBUVSOMU-OAHLLOKOSA-N 442.947 4.253 10 20 IICD Cc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 800885568 HNJZOJLLIPROBN-UHFFFAOYSA-N 444.457 4.320 10 20 IICD CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 807191697 KAZPCERPYVSYIE-UHFFFAOYSA-N 444.359 4.456 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 807506368 VRKUYQDGPPDKOZ-UNMCSNQZSA-N 425.548 4.083 10 20 IICD C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 812718314 PMBIKASNPXYCMW-WMZHIEFXSA-N 431.621 4.021 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 813646075 FTGMIFNMWNWTAI-LJQANCHMSA-N 430.593 4.182 10 20 IICD O=C1N[C@@H](c2ccc(N3CCCCC3)c(Br)c2)N2CCc3ccccc3[C@H]12 877857047 KTYMUWBBEAQSEU-NHCUHLMSSA-N 426.358 4.167 10 20 IICD O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(I)cc1 906283649 DINAMLPCFDQKMP-UHFFFAOYSA-N 442.303 4.216 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2cccc(N3CCCC3=O)c2)cc1 914455051 HWDLYVKZPSWBJK-UHFFFAOYSA-N 447.535 4.080 10 20 IICD Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 916686894 UAEDJZOWOBPUCP-GJZGRUSLSA-N 439.491 4.119 10 20 IICD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 917503861 LFSDVFKYFMFTEB-UHFFFAOYSA-N 425.529 4.283 10 20 IICD Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1[N+](=O)[O-] 917658082 NMGWXXVOUMTGHR-UHFFFAOYSA-N 425.938 4.222 10 20 IICD CCOc1ccc(-c2nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cs2)cc1 917708226 BJCXONNBYMKUIW-UHFFFAOYSA-N 441.528 4.115 10 20 IICD C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917710224 BTSWJSQZNUBQJW-KURKYZTESA-N 426.532 4.012 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 917927848 HNWOGHAJNROUNR-UHFFFAOYSA-N 445.368 4.357 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cc2F)C[C@H](C)O1 918139446 DJMXSPLABJQECK-GJZGRUSLSA-N 442.922 4.413 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(C2CCCC2)c1C 1344129079 HUTDFADPEICNAQ-UHFFFAOYSA-N 426.561 4.309 10 20 IICD CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCCCC(=O)NC(N)=O 72089937 DXFUWNPGIMAEIK-UHFFFAOYSA-N 439.379 4.036 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 116534031 FXHVVUUCZDXTGX-UHFFFAOYSA-N 439.562 4.331 10 20 IICD Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 302992087 LKYSXZZPKJRQTG-UHFFFAOYSA-N 442.559 4.365 10 20 IICD Cc1ccc2nc(COc3cccc(C(=O)N4CCOc5cc(N(C)C)ccc54)c3)cn2c1 437009702 KTEGFEOMEIZJNY-UHFFFAOYSA-N 442.519 4.327 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn(C)c3C(F)F)c2C)cc1 727567180 PTAVMKNLLOUXQI-UHFFFAOYSA-N 431.439 4.204 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 729278289 OORGNHKWTIOVQW-KPZWWZAWSA-N 437.323 4.190 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1 729862535 BRPZGVSWWABHDP-WZONZLPQSA-N 432.520 4.448 10 20 IICD Cc1cc(C(=O)[C@H](C)SCCS(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 730464378 AEIFZFNKIOXSOL-AWEZNQCLSA-N 431.526 4.045 10 20 IICD COc1cc(F)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 730667265 RJOOZGKYZQOOCT-UHFFFAOYSA-N 439.434 4.235 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2)CC1 731014843 MEQPZGYUZAHHIU-UHFFFAOYSA-N 445.567 4.078 10 20 IICD COC(=O)c1ccc(OCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 731286264 FOKGBKITFDOWGB-UHFFFAOYSA-N 446.463 4.022 10 20 IICD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1 731482929 QRSQKEHZJLVASH-UHFFFAOYSA-N 445.629 4.226 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3n2C)NC(=O)OC(C)(C)C)cc1 742754527 PLEBSOBQJPAEOD-FQEVSTJZSA-N 436.556 4.240 10 20 IICD CO[C@@H](C)c1nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)cs1 747853655 QMGJKALVHAPALC-INIZCTEOSA-N 432.567 4.056 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)c2C)cc1 749275061 RHGJIORYWPJWNU-RUZDIDTESA-N 445.563 4.066 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2ccc(OC(F)F)cc2)cc1 750875099 QSHCSBKWSSPNEP-JOCHJYFZSA-N 432.511 4.494 10 20 IICD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(Cl)c(C)cc3Cl)CC2)cc1 752398497 LCNSJWDYMNDATJ-UHFFFAOYSA-N 436.339 4.034 10 20 IICD Cc1ccc(N2CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)cc1 753154562 PVEMGEYBCWXIRE-UHFFFAOYSA-N 444.526 4.097 10 20 IICD CC(=O)NC1CCC(N(C)C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 753292350 REELFYBYTJPOBI-UHFFFAOYSA-N 446.389 4.376 10 20 IICD COc1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1-n1nnnc1C1CC1 753551122 YHIXJZKITSNNRO-UHFFFAOYSA-N 443.507 4.445 10 20 IICD O=C(O)[C@@H](CNCc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccccc2)cc1 756309425 WTNDGFCRJBURLJ-RUZDIDTESA-N 430.548 4.223 10 20 IICD Cc1cc(C)n(CCCN[C@@H](C)c2cc(Br)cc(Br)c2O)n1 756370497 JDUTXOIKLNSUBY-LBPRGKRZSA-N 431.172 4.471 10 20 IICD C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)c(F)cc1O 756456562 HUQAQFCFWTXAMG-GFCCVEGCSA-N 441.316 4.245 10 20 IICD C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(Br)c1O 756500947 AEVBAFCHPHSFTA-PSASIEDQSA-N 446.105 4.204 10 20 IICD COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cc(Br)c(F)cc3O)C2)c1 756637942 MRFVHZVBDSBJRG-OLZOCXBDSA-N 439.325 4.241 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1Br 759646661 OGIAWBXFURDCGY-UHFFFAOYSA-N 429.317 4.365 10 20 IICD O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC(=O)NCc1cccs1 761192334 YYDLTERCDDKARD-UHFFFAOYSA-N 438.465 4.052 10 20 IICD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1 765080102 KJBMHDAXWBWEOR-IBGZPJMESA-N 447.670 4.121 10 20 IICD C[C@@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2cccc(Br)c21 765980093 OIFDCLWVYFFCRQ-QRWLVFNGSA-N 449.414 4.022 10 20 IICD COc1ccc2c(c1)CCCN2Cn1nc(N2CCCCC2)n(C[C@@H]2CCCO2)c1=S 766340443 LNTGFXAPWVIHHA-FQEVSTJZSA-N 443.617 4.002 10 20 IICD CN(CCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1)C(=O)OC(C)(C)C 769717228 RLEGPXDUFRRQSZ-UHFFFAOYSA-N 442.604 4.241 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(Br)cc([N+](=O)[O-])c1 770584750 BESDABNHLARQOF-UHFFFAOYSA-N 438.241 4.319 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3cc(C)nn3-c3ccccc3)CC2)cc1 773047599 JOSJHXGDWOICAI-LJQANCHMSA-N 447.583 4.089 10 20 IICD C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Cl)c(Cl)cc1O 774140951 IAKXSRXCOKZEFR-OAHLLOKOSA-N 425.356 4.261 10 20 IICD COc1cccc([C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)c2cc(F)ccc2OC)c1 775034957 VKGUMWOPSCCMTB-OAQYLSRUSA-N 442.443 4.345 10 20 IICD Oc1c(Br)cccc1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 775154203 YFBKMAPEDXUIHO-UHFFFAOYSA-N 428.117 4.332 10 20 IICD COc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccc2)cc1 775409845 HFRGFUYPVZFVCP-HOYKHHGWSA-N 431.536 4.110 10 20 IICD CC(C)(O)c1ccc(CNCc2cc(Br)cc(Br)c2O)cc1 775996819 RCHMMIGWAYPEJI-UHFFFAOYSA-N 429.152 4.434 10 20 IICD COc1cc(C)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1F 776395330 DOLUDLCURSNHHQ-UHFFFAOYSA-N 434.379 4.079 10 20 IICD COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C\c2scnc2C)cc1 777245981 BIDWCSHPOGYGKW-SEYXRHQNSA-N 435.549 4.109 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1c(Cl)ccnc1Cl 778016156 ZYLWHOLPLGXURI-UHFFFAOYSA-N 440.146 4.067 10 20 IICD CCCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1 779508748 DNXSEKRORGYBMW-ZOXUKVPXSA-N 437.540 4.025 10 20 IICD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782897673 ZRTVFXVCZXLTCB-UHFFFAOYSA-N 446.551 4.495 10 20 IICD Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 789855426 QWTGMUIJDORWPE-QHCPKHFHSA-N 439.625 4.068 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COc3ccccc3CS(C)(=O)=O)c2C)cc1 795246566 BXIHYSHXLJYTME-UHFFFAOYSA-N 441.549 4.299 10 20 IICD COc1ccc(N2CCC(NC(=O)C3(c4cc(F)cc(Br)c4)CC3)CC2)cc1 795990661 AGDFKBAWGCRRRO-UHFFFAOYSA-N 447.348 4.414 10 20 IICD COc1ccccc1-n1nccc1/C=C1/SC(=S)N(CCc2cccs2)C1=O 797398718 QGDXMLNBSUDZJY-QGOAFFKASA-N 427.576 4.386 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(Cl)c(Cl)cc3F)cc2)C1 799243261 VCOYDLKUNMFZBY-CYBMUJFWSA-N 439.318 4.156 10 20 IICD COC(=O)Cc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 800566361 WOTHXXBQTRGWLF-HNNXBMFYSA-N 430.936 4.009 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 802010397 CJJLNJPYNLAIJK-HSZRJFAPSA-N 425.573 4.086 10 20 IICD CN(C)c1ccc(N2CCC(NC(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)cc1 806868639 WSWDOHBWCVPAHB-UHFFFAOYSA-N 437.371 4.233 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)cc1C(F)(F)F 807511238 IJXGLESHOHGKNO-UHFFFAOYSA-N 425.165 4.112 10 20 IICD O=C(NCCCSc1nccs1)C1CCN(c2noc3ccc(Cl)cc23)CC1 815590710 GKCKQUUCQJDVGN-UHFFFAOYSA-N 436.990 4.453 10 20 IICD Ic1cnc(NCc2ccc(N3CCOCC3)cc2)c2ccccc12 820635078 UOMJVXDDLFNYAB-UHFFFAOYSA-N 445.304 4.288 10 20 IICD CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 857757720 QLNHFAGIUFIKRO-HSZRJFAPSA-N 439.600 4.346 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 915323623 CLGYNVSTJWHSNF-UHFFFAOYSA-N 440.544 4.374 10 20 IICD Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 916568877 IOFNPLDDAVXXPP-YBFXNURJSA-N 449.557 4.193 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3nc(C(F)(F)F)cs3)cc2F)C[C@H](C)O1 916671132 CEPUTYOPMGNAKI-QWRGUYRKSA-N 432.443 4.236 10 20 IICD COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3c(C(C)=O)oc4ccccc34)CC2)cc1 917208660 KSAYRGAPQMWQLH-KRWDZBQOSA-N 435.524 4.183 10 20 IICD CCn1c(-c2cccs2)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S 917487394 KHNHNUMJTGHANQ-UHFFFAOYSA-N 429.615 4.341 10 20 IICD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1 917752740 BTMDQXJEXXZVNJ-UHFFFAOYSA-N 446.550 4.350 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2ccccc2cc1NC(=O)C1CC1 918138669 PLIHHWVPWKFZTJ-UHFFFAOYSA-N 447.510 4.094 10 20 IICD COC(=O)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 918439132 KKNSSDNHJDWQPG-UHFFFAOYSA-N 430.464 4.486 10 20 IICD CCOc1ccc(C2(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)CCOCC2)cc1 919840226 CWYRENOWFSOMBY-UHFFFAOYSA-N 433.552 4.366 10 20 IICD Cc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1 919977824 HKFOFQCEMGOOMW-UHFFFAOYSA-N 431.945 4.049 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(Br)cc1F 1318229953 RXBAWGIJGJIYIN-UHFFFAOYSA-N 429.355 4.006 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775588 DRBPHUMPBXMTKV-UHFFFAOYSA-N 437.883 4.208 10 20 IICD Cc1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c(C)n1-c1ccccn1 97494138 MSNBCZPPHXINAS-UHFFFAOYSA-N 437.613 4.201 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2nccnc2c1 102725441 ZFKTZQQPINOYPK-SFQUDFHCSA-N 440.575 4.311 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 105722411 JXEKTXQUJPXWFD-FQEVSTJZSA-N 440.569 4.005 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)ccc21 484418503 ZQYZQOKSGFVRQG-UHFFFAOYSA-N 445.519 4.163 10 20 IICD CCOCc1ccccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726614254 SPGZIKXDCAHTSD-UHFFFAOYSA-N 433.499 4.293 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)ccc21 728461469 DVQDZBLDNQSRSJ-UHFFFAOYSA-N 433.552 4.071 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 728839553 HYEUNNHOIKGGAS-UHFFFAOYSA-N 436.434 4.440 10 20 IICD COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(Cl)c1OC 730434244 MWFXNOLKKLSYPR-ZROIWOOFSA-N 435.910 4.461 10 20 IICD COC(=O)CN(CCC(=O)Nc1cccc2ccccc12)Cc1cc(Cl)ccc1O 731845311 VIDNEJKCZLZRKR-UHFFFAOYSA-N 426.900 4.203 10 20 IICD CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 735187991 UQWQZUXCFAUGMJ-UHFFFAOYSA-N 427.492 4.338 10 20 IICD COc1cccc(CNC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c1O 737279544 YAOCEHILYQAQKY-KRWDZBQOSA-N 434.492 4.104 10 20 IICD O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NCc1ccc(N2CC=CC2)cc1 740912162 RLAJUZSTIQXSFX-UHFFFAOYSA-N 437.547 4.460 10 20 IICD CC(C)(C)OC(=O)NC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 741436048 UZGTXTOIXXEGIE-LJQANCHMSA-N 429.517 4.000 10 20 IICD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1 742783430 NUXGPQBSAREAPC-MRXNPFEDSA-N 439.537 4.089 10 20 IICD CC(=O)Nc1cccc(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743016226 UTVOKPFMQBFDHY-KRWDZBQOSA-N 434.512 4.202 10 20 IICD COc1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)c1 743284940 QZPMZARYCGYGBE-SXGWCWSVSA-N 439.967 4.158 10 20 IICD CCOCCOCc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C 746036400 XIYVLTHSZLKCMY-UHFFFAOYSA-N 441.572 4.347 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1F 746763998 ULZAOOGEXHOHOY-UHFFFAOYSA-N 425.533 4.233 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3Br)cc2F)C[C@@H](C)O1 749145241 VYIPSMURNIFCAM-TXEJJXNPSA-N 439.285 4.117 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3c(F)cccc3Br)cc2F)C[C@H](C)O1 749323636 IOTXBLAPVACUEP-STQMWFEESA-N 439.300 4.271 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@H]1c1cccs1 751931656 RSSMDUZNGBKTRG-KDOFPFPSSA-N 441.578 4.287 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)cc1F 753879222 KDLHKHDQSSJYSD-UHFFFAOYSA-N 434.462 4.067 10 20 IICD Cc1cnc([C@H](N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)s1 754414117 RXEJGGPPXMNYCZ-SPLOXXLWSA-N 445.544 4.295 10 20 IICD C[C@H]1C[C@@H](NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c2c(O)ccc(F)c21 756606759 BCWCSZSSSVDBSN-WMLDXEAASA-N 438.590 4.148 10 20 IICD O=[N+]([O-])c1cc(CNc2nnc([C@@H]3COc4ccccc4O3)o2)ccc1N1CCCCC1 758450595 UXNWQJJKIAVGQG-FQEVSTJZSA-N 437.456 4.093 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Oc1cccc2c1OCCO2 760737257 MUIIGWBXALUGQR-VBKFSLOCSA-N 447.559 4.106 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O 761093921 WFMGVTANOJEVBE-HSZRJFAPSA-N 447.514 4.022 10 20 IICD C[C@H](Cc1ccccc1Br)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761828049 ZCKOIROXQRXZJL-GFCCVEGCSA-N 437.721 4.204 10 20 IICD Cc1ccc(CO)cc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 763027070 WKIZFWDBOUQEQL-GZTJUZNOSA-N 432.592 4.169 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 764257893 RFDKQBALJWVNBB-UHFFFAOYSA-N 440.341 4.232 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 764559227 SBUQOIRORSDMRL-OAQYLSRUSA-N 430.593 4.122 10 20 IICD C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 765686470 SVXFIMLMEHZNJU-HCYUJWNOSA-N 445.604 4.174 10 20 IICD Cn1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cc1ccccc1 770564002 ICTKYVPNWZUJCH-SFHVURJKSA-N 440.494 4.011 10 20 IICD Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 772732342 YOFFHCHMBZKLGJ-JOCHJYFZSA-N 440.551 4.385 10 20 IICD Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2)cc1C 773846614 MYRBRSYANZBSMZ-GOSISDBHSA-N 432.524 4.373 10 20 IICD O=S(=O)(c1ccc(NCc2ccccc2O)nc1)N1CCC(Cc2ccccc2)CC1 774524454 UPYCEZOIVBDPNZ-UHFFFAOYSA-N 437.565 4.043 10 20 IICD CCOC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(Br)cc1F 775380659 XHKAJAWPCQUFNM-BBATYDOGSA-N 426.282 4.257 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSc2ccccc2[N+](=O)[O-])cc1 783957310 IZHNIYQZCSEQPY-UHFFFAOYSA-N 427.448 4.344 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 791249562 HUMIFZOOEPLESW-QGZVFWFLSA-N 444.959 4.280 10 20 IICD COCCC[C@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 792065863 DHECYODCSLGGQJ-JOCHJYFZSA-N 425.573 4.001 10 20 IICD Cc1cc(C(=O)N(CCCO)Cc2ccccn2)c(C)n1-c1cccc(Br)c1 794353094 FGJQYQBUOGDFNX-UHFFFAOYSA-N 442.357 4.276 10 20 IICD COc1ccc(CNC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c(O)c1 794382780 IBQMHRSXVOMJIN-UHFFFAOYSA-N 433.504 4.431 10 20 IICD C[C@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1)C(=O)O 794687106 QPJMSJJFKJGLER-CYUIRQCWSA-N 428.535 4.010 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC([C@H](O)C(F)(F)F)CC3)cc2Cl)C1 799995593 PCPXOSVXPCWLNI-LIRRHRJNSA-N 447.929 4.421 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1F 801015670 INZILKSLSLSMRK-HSZRJFAPSA-N 436.572 4.118 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 804682103 DOSAIQWDXJHASG-XMMPIXPASA-N 437.559 4.432 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(C(=O)N2CCSCC2)c1 806245063 DHBWZXSCFRXIPI-UHFFFAOYSA-N 440.352 4.210 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccccc1Cc1ccccc1 807387750 VDVIXXNNWMVEKA-UHFFFAOYSA-N 439.309 4.000 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 807767649 PKOAVXMJYVCYNV-HXUWFJFHSA-N 444.579 4.431 10 20 IICD COCc1nc(OC)c2c(C)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)sc2n1 807836832 QRMGUOCESKZDKT-UHFFFAOYSA-N 442.324 4.097 10 20 IICD CSCc1cccnc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 810448117 VDALIFOTJGGAMC-LJQANCHMSA-N 444.601 4.006 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](c3ccc(C)nc3)c3cncn3C)ccc21 816319959 JMKMJJOJOZDWGB-DEOSSOPVSA-N 432.524 4.288 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)cc2nc(O)[nH]c12 816825345 ACTRLHKCNBUXBR-UHFFFAOYSA-N 443.345 4.294 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c([N+](=O)[O-])c1 817988883 ZLCDGSRHAMZRGJ-UHFFFAOYSA-N 437.524 4.250 10 20 IICD Oc1cccc(Br)c1CNc1cc(N2CCOCC2)ccc1Br 864014985 ZGVAWMVJOCGWRS-UHFFFAOYSA-N 442.151 4.366 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c4ncccc34)n2)cc1 906369587 PTOOTQIOJMOIGI-UHFFFAOYSA-N 438.534 4.426 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917067614 PHHITXCGDVMGFE-FGTMMUONSA-N 447.982 4.402 10 20 IICD COc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 917940311 DEKDTCPUZINPJH-HOTGVXAUSA-N 428.488 4.148 10 20 IICD CCc1nc2cc(NC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc2o1 918219729 OQYMINJQZCZWRS-HUUCEWRRSA-N 426.492 4.465 10 20 IICD O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)Cc1ccccc1O 920496629 VRDWIDDPARWMKT-UHFFFAOYSA-N 435.480 4.339 10 20 IICD CCOc1ccc(N2CCN(C(=O)c3ccc4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 1320394722 PCOWDBJYWQHQSY-UHFFFAOYSA-N 441.535 4.090 10 20 IICD O=C(NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1)c1cc(O)nc(O)c1 1789091530 FAOABLBSUWUJMV-UHFFFAOYSA-N 442.475 4.036 10 20 IICD C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(=O)c2ccncc2)cc1 237390623 RSUNYASMWZKNST-GOSISDBHSA-N 434.515 4.160 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)ccc21 461432008 SGVMPDFLFAOQQU-LOSJGSFVSA-N 445.607 4.499 10 20 IICD Cc1ccc(OCCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 725868139 FHLRHYIGGYDHOO-RTBURBONSA-N 429.536 4.016 10 20 IICD CN(CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC1=S)c1ccccc1 726626876 MBYKGOGEQSTWSH-AQTBWJFISA-N 429.523 4.028 10 20 IICD Cc1ccccc1N1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726719981 SWAJTSITXXBEOE-UHFFFAOYSA-N 444.526 4.097 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)s1 727247098 USAVMMNPXKMXLE-UHFFFAOYSA-N 436.584 4.259 10 20 IICD Cc1cc(C(=O)NCC(=O)N(C)CCc2ccccn2)c(C)n1-c1cccc(C(C)C)c1 727404952 HDWLKXSCPMTPKX-UHFFFAOYSA-N 432.568 4.043 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 728837746 YRLHXOWZXFDVBB-UHFFFAOYSA-N 447.417 4.051 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCc3ccc(OCC(C)C)cc3)CC2)cc1 730129929 FZPDOGKZHPXWEY-UHFFFAOYSA-N 425.573 4.194 10 20 IICD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCCSc1nccs1 733972316 CMIHZMGAZOUPLB-OAQYLSRUSA-N 441.622 4.278 10 20 IICD COc1ccc(N2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)cc1 741773192 QVFCZBQBFILPAD-UHFFFAOYSA-N 428.330 4.435 10 20 IICD Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1NC(=O)OC(C)(C)C 742557290 SHTZATXIFWEFNE-UHFFFAOYSA-N 443.519 4.248 10 20 IICD CN(C)CCOc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743102424 HIXLTYGPHSBUBU-GOSISDBHSA-N 448.514 4.019 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 743115465 UNTXJXJLWIKFCN-GOSISDBHSA-N 446.498 4.218 10 20 IICD O=C(NCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccc(F)c1 745813717 QKPNWGRVZZMPDM-UHFFFAOYSA-N 427.520 4.196 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Oc1cccc(F)c1 745877617 CLSDILBMMGVQNY-CYBMUJFWSA-N 425.298 4.293 10 20 IICD Cc1c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cccc1C(=O)N1CCCC1 748995354 PZJAZBSXJNHUIS-UHFFFAOYSA-N 438.597 4.106 10 20 IICD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 753555951 YQSJSBVFQVCGFO-UHFFFAOYSA-N 440.887 4.008 10 20 IICD C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 754159018 KDIBIOPUGJWNCZ-HRAATJIYSA-N 448.489 4.230 10 20 IICD C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(Br)cc(F)c1O 756475323 ODHOZDFLHKIVEJ-ORAYPTAESA-N 441.316 4.157 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc(Br)cc(Cl)c2O)c1 756535750 OXOVEQFIIIKNPK-WDEREUQCSA-N 447.782 4.128 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(SC)cc2)cs1 757550395 FIRSJYWFYQEZOZ-UHFFFAOYSA-N 438.527 4.259 10 20 IICD COc1cc(N2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc(OC)c1OC 759872448 KBLLSTINDMDGHU-HNNXBMFYSA-N 446.498 4.340 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCc2c(F)cccc21 763747837 NVZINYLOJZTIPY-ATVHPVEESA-N 432.567 4.458 10 20 IICD O=C(NCc1ccnc(Oc2ccccc2)c1)NCc1cccc(Br)c1O 764762550 HUZMLCBPCBXCBQ-UHFFFAOYSA-N 428.286 4.341 10 20 IICD COc1cc(C)c(Br)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 765343203 VLZZPIDHVQLCOI-UHFFFAOYSA-N 448.361 4.267 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)cc1 765994656 QNLMZRKYQYVUGT-NRFANRHFSA-N 429.992 4.277 10 20 IICD COc1ccc(SCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 769495896 QLEFLGQNKGJHGB-GOSISDBHSA-N 431.554 4.099 10 20 IICD COC(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Br)SC1=S 769790011 CAGUZRBSLJRLMZ-GHXNOFRVSA-N 434.764 4.257 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ncoc3-c3ccc(F)cc3)cc2F)C[C@@H](C)O1 769865945 RJEJLQCTJNRZEL-GASCZTMLSA-N 427.451 4.163 10 20 IICD CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c(C(F)(F)F)c1 771792448 YUPPVDQFCCFOFG-UHFFFAOYSA-N 448.489 4.333 10 20 IICD CC[C@H](C)n1c(SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nnc1-c1ccccc1 773762139 FQVMFRDEEMVCFI-CVEARBPZSA-N 440.569 4.167 10 20 IICD CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Br)ccc1O 775490350 CBNFAFJFROOZQL-UZLBHIALSA-N 446.389 4.097 10 20 IICD CC1CCN(c2ccc(CNC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)cc2)CC1 780632666 MRIINVFTCWGEMU-UHFFFAOYSA-N 427.545 4.471 10 20 IICD CCOC(=O)c1c(NC(=O)CO[C@@H](C)Cc2ncc[nH]2)sc(C)c1-c1ccccc1 782915959 SRBUTDYRWJGNIY-AWEZNQCLSA-N 427.526 4.210 10 20 IICD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 786874802 ZXNVWQRGYTZWRF-LBPRGKRZSA-N 439.946 4.073 10 20 IICD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 787466618 XFHPBKIKLOJJJZ-QGZVFWFLSA-N 447.963 4.254 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(Br)c1 794682320 VDQYPBRRZGCMHZ-NVNXTCNLSA-N 443.432 4.247 10 20 IICD C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl 794842845 SVGLPQJZSNUFLV-LIRRHRJNSA-N 444.881 4.459 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c(F)c1 799186653 FPLGCLXWADBXKP-UHFFFAOYSA-N 431.514 4.252 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCCNC(=O)C3CCC3)cc2Cl)C1 799995632 QYAGVMPLIVITAW-KRWDZBQOSA-N 435.012 4.024 10 20 IICD Cc1cc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 804395876 YGHLNWLYKYBQOG-QFBILLFUSA-N 428.882 4.309 10 20 IICD COc1ccc(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1 807453691 CZWHRHBGJMKDNA-FQEVSTJZSA-N 428.529 4.309 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(Oc2ccncc2)c1 807511613 QWWZXGONKTZHPH-UHFFFAOYSA-N 432.263 4.141 10 20 IICD O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 807835954 CLJIWZHSGOMDCV-HXUWFJFHSA-N 443.330 4.357 10 20 IICD CCN(CC)c1ccc(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1F 810173067 WEOJDUJYFOZDNH-UHFFFAOYSA-N 438.547 4.331 10 20 IICD COc1ccc(N2CCC(NCc3cn4cc(Br)cc(C)c4n3)CC2)cc1 812841760 HYGZHFVCKDTNKJ-UHFFFAOYSA-N 429.362 4.172 10 20 IICD CCOC(=O)c1csc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1 814621825 DTIXAIQIUABKGY-UHFFFAOYSA-N 431.558 4.297 10 20 IICD CC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1OC(F)F 916494988 JKBFFTCWAUDBDX-HXUWFJFHSA-N 433.499 4.417 10 20 IICD Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 920011851 ZRKGIQVQJLEZJK-HXUWFJFHSA-N 426.428 4.096 10 20 IICD Cc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 1800512842 ALOHUBFUWHPPDW-QQFNCUIESA-N 448.592 4.425 10 20 IICD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CCC1 1823710942 PCCULJUVXBKJTH-GFCCVEGCSA-N 449.960 4.014 10 20 IICD COC(=O)CCNC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 11217627 TTZLOLRLFJMQEH-UHFFFAOYSA-N 443.956 4.023 10 20 IICD CCOCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 303559322 JZJWTWCBFGPVMF-UHFFFAOYSA-N 445.991 4.143 10 20 IICD COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 726563222 WFVPZUNKYSTETG-LEWJYISDSA-N 429.358 4.346 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610786 JCLUIBXFJOHLBQ-UHFFFAOYSA-N 444.526 4.356 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 726621212 QPLRBNROQUHAGD-NHCUHLMSSA-N 444.373 4.236 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 727034534 UJFYBTWXUOMPKR-VMXMFDLUSA-N 429.580 4.287 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc21 728637745 FZLPDFFOIVVGOK-GOSISDBHSA-N 436.508 4.291 10 20 IICD CC1(C)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1 729594595 QQKWDXJBHJMYKM-UHFFFAOYSA-N 438.641 4.046 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1F 731398745 SAMPJQXFHAPQAS-UHFFFAOYSA-N 428.508 4.129 10 20 IICD Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(Br)cc1 734145056 JGJZLIGEHCVQCF-AEFFLSMTSA-N 446.389 4.233 10 20 IICD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1 734954150 RCWRMKLGOMPTLG-UHFFFAOYSA-N 433.577 4.441 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)sc2Br)c1 735115447 HGDXGFUUIQUPNN-SSDOTTSWSA-N 435.137 4.478 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1coc(-c2ccccc2)n1 737507989 QJWNPLVDGBSESP-UHFFFAOYSA-N 431.414 4.127 10 20 IICD O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1cccnc1Cl 739383381 XAJKZXQWBDPZTF-UHFFFAOYSA-N 436.765 4.483 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)cc1 741137228 PXOCSDBFYIGJPL-UHFFFAOYSA-N 447.563 4.289 10 20 IICD CN(c1ccc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)cc1)C1CCCCC1 742416066 KPXVMNFJZOUQDJ-UHFFFAOYSA-N 427.980 4.429 10 20 IICD C[C@H](Oc1ccccc1F)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742749981 KTNHDANPFZJKIS-OXJNMPFZSA-N 445.535 4.041 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1 743212606 HNRJVEIZYCPMPX-UHFFFAOYSA-N 437.523 4.189 10 20 IICD Cc1csc([C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C2CC2)n1 743554494 GKHJEDDHQZKPCE-MDOVXXIYSA-N 432.565 4.155 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1 743554791 KSAXFTSPKFAKGR-IBGZPJMESA-N 447.501 4.316 10 20 IICD O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745261911 ZSZQBOZUFYRJOU-QGZVFWFLSA-N 428.483 4.280 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(Br)c(OC)c3)CC2)cc1 746740564 OWOZUWLSQSTHID-UHFFFAOYSA-N 434.334 4.211 10 20 IICD CCOCc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OC 747613246 UPLKAIMTTSWAOM-VCHYOVAHSA-N 429.519 4.336 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)n2)cc1 755088139 ZUQNJUYUGMAGJR-UHFFFAOYSA-N 446.510 4.094 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCOc2ccc(F)cc21 755642985 FOFCDUVWXIQSJJ-ATVHPVEESA-N 448.566 4.294 10 20 IICD C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)c(F)cc1O 756354517 DHIZVHKPZYTDCQ-MLGOLLRUSA-N 429.355 4.079 10 20 IICD C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1cc(Br)cc(Br)c1O 756382875 FROHNLSVNFXECC-RFAUZJTJSA-N 433.115 4.441 10 20 IICD O=C(NCCCSc1nccs1)N1CCO[C@@H](c2cccc(Br)c2)C1 759600425 FDUXBBIEWLAVJS-OAHLLOKOSA-N 442.404 4.171 10 20 IICD Cc1cc(C(=O)CN2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 759874342 IPSRUMDTQUGBNT-DHMKHTPVSA-N 442.503 4.018 10 20 IICD COc1cccc([C@@H]2CC(=O)N(CN(Cc3ccc(N(C)C)cc3)CC(F)(F)F)C2)c1 760527720 JJKZTWARDKDCGM-LJQANCHMSA-N 435.490 4.099 10 20 IICD C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2F)C[C@@H](C)O1 765119166 RVFILNVWKSAAIV-OTWHNJEPSA-N 445.554 4.266 10 20 IICD CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Br)c1 765255441 QOMQWBMSQWYLJC-GHTZIAJQSA-N 430.390 4.392 10 20 IICD COc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1OC1CCCC1 765480108 HHPGVBCKKPUJKH-UHFFFAOYSA-N 449.345 4.484 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 765553465 LWCCAHISPJIPPV-GOSISDBHSA-N 425.520 4.184 10 20 IICD Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c(C)n1-c1ccc(Br)cc1 766845960 SFWGSOXRGLFSGA-GOSISDBHSA-N 431.330 4.184 10 20 IICD COc1cc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c(O)cc1C 768446959 PRCQQZABABOJST-UHFFFAOYSA-N 433.346 4.322 10 20 IICD C[C@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 775403043 FVQXBLCWXWCSJM-INIZCTEOSA-N 434.565 4.030 10 20 IICD Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(O)c(O)c3)[C@H]2c2cccs2)cc1 778929755 NGCILODWBFALEV-MBSDFSHPSA-N 436.533 4.268 10 20 IICD CC(=O)N1CCN(c2cccc(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)c2)CC1 783297357 GIFAZGBOAGYUDZ-GOSISDBHSA-N 442.991 4.018 10 20 IICD CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 784059463 LJBZXIRJEDPRDJ-UHFFFAOYSA-N 436.556 4.102 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(/C)c3ccc(C(F)(F)F)cc3)cc2)CC1 786259430 PMYAAWWHRRKWBT-ICFOKQHNSA-N 445.485 4.094 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3cccc(OC(F)F)c3)cc2)CC1 787865656 TYSMDKCCDLFVSJ-QGZVFWFLSA-N 445.510 4.018 10 20 IICD CCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(OC(C)C)c1 790946466 BQPYDVMQGSAFAQ-UHFFFAOYSA-N 439.556 4.183 10 20 IICD Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc(C)c1F 799186867 IKRLESNZPDPVEI-UHFFFAOYSA-N 446.529 4.344 10 20 IICD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2Br)cc1 800793780 VOULVUZJWAMXRU-AQTBWJFISA-N 429.339 4.419 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccccc3C(F)(F)F)cc2)CC1 805023070 AAEKNOBCYFRSMT-UHFFFAOYSA-N 447.501 4.217 10 20 IICD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807483177 FVGDGFJSLWEMIU-MRXNPFEDSA-N 432.484 4.307 10 20 IICD COc1ccc(C(=O)CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1OC 807836461 XMBFPRXXKQOBEC-UHFFFAOYSA-N 442.295 4.004 10 20 IICD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)n2)n1 807837853 DKVJYJSBNMQRIJ-UHFFFAOYSA-N 425.703 4.480 10 20 IICD CC[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1O 810210032 MCXNECQIEDBODT-INIZCTEOSA-N 427.467 4.097 10 20 IICD CC(C)CCN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914509785 CCJHRUUAZWEDRY-GDNBJRDFSA-N 441.416 4.155 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCc1ccc(Cl)s1)c2[N+](=O)[O-] 916088829 MYLHFZPQISTQJQ-UHFFFAOYSA-N 440.864 4.058 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c1 917644196 VLIRFUXNKLFART-HKWRFOASSA-N 429.563 4.164 10 20 IICD Cc1cc(CCNC(=O)NCc2ccc(CN3CCCC3=O)cc2)c(C)n1-c1ccccc1 918017748 DVLINRJACSQVDV-UHFFFAOYSA-N 444.579 4.258 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C3CCCC3)cc2)C1 918123250 RTWLXJSSCQVCKA-ISKFKSNPSA-N 434.584 4.119 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)cc1 918625281 WVWKPWLKKHHOLX-UHFFFAOYSA-N 448.592 4.249 10 20 IICD COc1ccc(OCc2nc(CN3CCCN(c4ccc(OC)cc4)CC3)cs2)cc1 919804325 HEHCEUXELWVHAE-UHFFFAOYSA-N 439.581 4.452 10 20 IICD COCC(=O)Nc1cccc(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 919980900 ZECICQZZMNYLDG-UHFFFAOYSA-N 425.916 4.262 10 20 IICD C[C@@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cc(Br)cc(F)c1O 1254729708 LFRGHGSDWGXPFI-SNVBAGLBSA-N 449.242 4.393 10 20 IICD C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1noc(-c2ccc(Cl)cc2)n1 1324349794 HCFFLQRRKXHUCP-OAHLLOKOSA-N 429.927 4.132 10 20 IICD CCOc1ccc(N2CCN(C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)CC2)cc1 1336532503 UGSBLRCKBLRNET-UHFFFAOYSA-N 446.507 4.163 10 20 IICD O=C1N[C@H](Cc2ccccc2Cl)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1354216890 TZMBBAAEMYUPHA-QFBILLFUSA-N 449.885 4.073 10 20 IICD CSc1ncc(Cl)c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n1 11574032 LFMNMAHCAOJJKI-UHFFFAOYSA-N 433.892 4.438 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cnn(Cc2ccccc2Cl)c1 108195356 MDSSHKYXHAHUKP-UHFFFAOYSA-N 426.973 4.068 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)ccc21 460269309 KENCTYAOQLZUIU-UHFFFAOYSA-N 434.945 4.214 10 20 IICD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 725825411 BOPWGWNFUXDWJD-UHFFFAOYSA-N 445.972 4.316 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1ccccc1 727245237 FRRUUKACTSHTMV-UHFFFAOYSA-N 447.494 4.004 10 20 IICD Cc1cc(C(=O)NCCC(=O)Nc2cccnc2)c(C)n1-c1ccccc1Br 727736638 SXSCJQJPDLOGPB-UHFFFAOYSA-N 441.329 4.010 10 20 IICD O=C1/C(=C/c2cc(Cl)c3c(c2)OCCCO3)SC(=S)N1CCc1cccnc1 727863759 IXXNHUCRQNNFMS-BOPFTXTBSA-N 432.954 4.340 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(F)cc1C(F)(F)F 728122195 DUSDTTKJJPEOID-UHFFFAOYSA-N 429.389 4.266 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OCc2ccncc2)cc1 729571351 VBEXZTVYKZNDGW-UHFFFAOYSA-N 446.551 4.191 10 20 IICD COc1ccc2oc([C@@H](C)NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)c2c1 730133301 PBLAJFBTLQYWDI-GOSISDBHSA-N 437.540 4.489 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCC(=O)Nc1ccc(Br)cc1C 731282407 PNTZGDJNZQEKLX-UHFFFAOYSA-N 448.361 4.414 10 20 IICD CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 736547738 FIKSOZSNIKHZOZ-LEWJYISDSA-N 425.529 4.167 10 20 IICD CN(c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1)C1CCCCC1 742058064 ZLGRFMLQYWHBDF-JOCHJYFZSA-N 434.584 4.019 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2ccc3ncccc3c2)NC(=O)OC(C)(C)C)cc1 742753060 IMJAEWXPSWDIPQ-QFIPXVFZSA-N 434.540 4.297 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 743918902 GUDGNKKOYFMQSL-HXUWFJFHSA-N 444.959 4.389 10 20 IICD Cc1cc(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 744755163 JWSFHQMSFLSSDW-UHFFFAOYSA-N 438.959 4.429 10 20 IICD CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 745182512 FZTOEDFYSBVKEP-KURKYZTESA-N 429.536 4.398 10 20 IICD COc1ccc(Br)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 750311000 MHEONAGLCRWTSD-AWEZNQCLSA-N 434.334 4.177 10 20 IICD O=C(CSc1ccc(C(F)(F)F)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 752152417 YMWDSKRWHZUPMZ-MRXNPFEDSA-N 426.460 4.106 10 20 IICD O=C(NCCCSc1nccs1)Nc1ccc(NC(=O)NCc2ccco2)cc1 758605108 JLCQHMASAPDCTM-UHFFFAOYSA-N 431.543 4.362 10 20 IICD CCc1ccc([C@@H](NC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c2cccs2)cc1 759592918 BQIIDTCVIZHMOL-AFBAXIAKSA-N 437.517 4.184 10 20 IICD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1cccc(Br)c1O 765752622 YBNZMUYJTDQZJW-UHFFFAOYSA-N 442.335 4.197 10 20 IICD O=C(Nc1ccccc1)Nc1cccc2c1CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 768450161 IKJFMFTUKILUFY-QHCPKHFHSA-N 431.492 4.020 10 20 IICD CN(CCOC(C)(C)C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 769321980 GPJDBXHXRUYVKR-FYWRMAATSA-N 426.629 4.003 10 20 IICD O[C@H](CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 770306824 QYDXRZUJUHLLSQ-XMMPIXPASA-N 426.557 4.460 10 20 IICD COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CC[C@H]5CCCC[C@H]5C4)n3)CC2)cc1 771068710 SQKKCKZUVCZOJK-HSALFYBXSA-N 438.572 4.043 10 20 IICD COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1NC(=O)C1CCCCC1 774937816 RTQUHKDYEXTKHQ-UHFFFAOYSA-N 429.473 4.449 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 775997051 RQJGKLLFTZGCQD-HXUWFJFHSA-N 448.445 4.306 10 20 IICD O=[N+]([O-])c1ccc([C@@H](O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 776279919 YVWHNGHJPYRGIE-FPOVZHCZSA-N 425.510 4.463 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc(Cl)cc(C(F)(F)F)c3)cc2)C1 780511556 PYQHOZKWEUZUSJ-MRXNPFEDSA-N 425.882 4.350 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)CC1 781045673 NNYWBALRROHIOT-UHFFFAOYSA-N 436.737 4.023 10 20 IICD Cn1ccnc1Sc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 784107369 SMXSCCXDJRXUEN-UHFFFAOYSA-N 449.580 4.315 10 20 IICD COC(=O)COc1ccc(N(C)Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 784560365 YWOZTPDLEYPVNP-UHFFFAOYSA-N 428.510 4.016 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)COCc1ccnn1C 785880647 IIAQXMRJFTZCCQ-HXUWFJFHSA-N 446.473 4.248 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OCC)c(OC)c1 791245689 DOEKDQZIBFLPSO-UHFFFAOYSA-N 428.529 4.096 10 20 IICD CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 792606020 LHEXPBRWHLADIZ-QBFSEMIESA-N 426.513 4.055 10 20 IICD CNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c(C)c1 794412379 VKJUBRXJJRHJLS-UHFFFAOYSA-N 425.916 4.433 10 20 IICD Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2)n1 799995380 HODUOCKNJSGPEP-YJBOKZPZSA-N 431.968 4.357 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(SC2CCCC2)cc1 807385882 SPHUPBBLXWUJPB-UHFFFAOYSA-N 449.370 4.444 10 20 IICD Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 807677913 DCZSCYJMIWLVRJ-KRWDZBQOSA-N 432.568 4.126 10 20 IICD Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn2ccnc12 818055351 CPLOTGOIIUIZHV-WJDWOHSUSA-N 442.591 4.324 10 20 IICD Cc1sc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1-c1cccc(Cl)c1 906465235 PEYOTWHNHYNYNZ-UHFFFAOYSA-N 435.914 4.018 10 20 IICD Cc1cc(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)c(C)n1-c1ccccn1 914902872 AOLUJIJIKJCHGN-UHFFFAOYSA-N 443.257 4.252 10 20 IICD Cc1nc(C)c(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c(O)n1 915464105 LDIHVSUCMWJTGG-UHFFFAOYSA-N 435.524 4.299 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(OC)c(OC)cc3F)n2)cc1 917907170 VHUXRWDVQRCOHK-UHFFFAOYSA-N 438.502 4.166 10 20 IICD COc1ccc(N2CCCN(C(=O)NCCCCOc3ccc(Cl)cc3)CC2)cc1 918003112 HGZBZRVYSDQDST-UHFFFAOYSA-N 431.964 4.430 10 20 IICD CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918219464 LLBYVYZVTHHSNM-UHFFFAOYSA-N 425.957 4.233 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 918228810 MDPDPYKFLCLAID-UHFFFAOYSA-N 444.579 4.354 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 918307113 NZAPTQNIZLEXKF-UHFFFAOYSA-N 441.535 4.055 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)n1-c1ccc(Cl)cc1 918598091 ZPDZVIFOICLKSU-UHFFFAOYSA-N 437.927 4.472 10 20 IICD O=C(NCc1ccc(OCc2cccc(F)c2)cc1)NCc1ccc(N2CCOCC2)cc1 919791935 NHXKKEYIMALVAH-UHFFFAOYSA-N 449.526 4.241 10 20 IICD CC1=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)CCO1 1796406041 JFRMLJYBWKRRRR-UADZTWIMSA-N 433.552 4.040 10 20 IICD CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1OC 28020721 HPEFSGARLRWTDR-DHLKQENFSA-N 437.584 4.157 10 20 IICD O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 71999470 TVKRYLWVRZYMER-ACIOBRDBSA-N 428.504 4.142 10 20 IICD CCc1ccc([C@H](NCc2cccc(OC)c2O)c2cccc(S(C)(=O)=O)c2)cc1 236982031 XVAODUSYLRVCOE-QHCPKHFHSA-N 425.550 4.246 10 20 IICD Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 248052108 NOOVMGVYRCLIHS-UHFFFAOYSA-N 438.959 4.002 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)ccc21 482907833 MRZQAARWISRNFW-UHFFFAOYSA-N 436.556 4.364 10 20 IICD CN(c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1)C1CCCCC1 725866462 RLLUHUIIJZDGAS-XMMPIXPASA-N 434.584 4.056 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1Br 727863540 DICRNHHVHLMTNV-YBEGLDIGSA-N 435.368 4.297 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 730674756 SAGYNXLHZZPZGL-GOSISDBHSA-N 442.579 4.193 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)C2CC2)cc1 735193973 PUINCWHTIOINOF-GOSISDBHSA-N 444.526 4.307 10 20 IICD CCOCc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC 735332185 XIZSAAVGUIKREK-DJKKODMXSA-N 429.519 4.366 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 737117965 NTIYSNOUXSFWSP-UHFFFAOYSA-N 449.580 4.071 10 20 IICD CCCC[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)Nc1cc(C)on1 743485759 UVTXZNUFPCKFBU-LPHOPBHVSA-N 436.503 4.340 10 20 IICD C[C@H](c1cccnc1)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 743723168 NFGOEAMNCHRBMM-MTOJCTJASA-N 431.608 4.344 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnn(C2CCOCC2)c1 749738348 UTMDYIUZRLWCJD-UHFFFAOYSA-N 446.510 4.012 10 20 IICD COCCc1ccc(OCCCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751301459 DNRKYCPLRFFSKS-UHFFFAOYSA-N 430.508 4.383 10 20 IICD Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 751932205 XUFHXFDNDLYQDW-UHFFFAOYSA-N 449.504 4.426 10 20 IICD COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1F 753858463 SDKBLAJYFCGNTP-CYBMUJFWSA-N 426.319 4.290 10 20 IICD CC[C@H](C)c1nc([C@@H](C)NCc2cc(Br)cc(Br)c2O)n[nH]1 754155537 XTHHRJPXUAJPLZ-DTWKUNHWSA-N 432.160 4.400 10 20 IICD C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1cc(Br)cc(Br)c1O 756352658 VUZWCUZCJYXQSM-YGRLFVJLSA-N 432.156 4.464 10 20 IICD C[C@@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)cc(Cl)c3O)cn2)CCO1 756432238 QFHJEIXIHYJBFK-CHWSQXEVSA-N 440.769 4.279 10 20 IICD COc1cc(CN2CC[C@H](N[C@@H](C)c3cc(Br)ccc3O)C2)cc(OC)c1 756645765 JQMYWASCSNBPLN-YOEHRIQHSA-N 435.362 4.097 10 20 IICD CC(=O)[C@@H]1C[C@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1(C)C 759903536 YWHRSXXLFFUQJH-GIVPXCGWSA-N 445.604 4.076 10 20 IICD COc1cc(N2CCN(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc(OC)c1OC 760103442 GDLTYUOAPQFYLT-OAQYLSRUSA-N 441.572 4.331 10 20 IICD COc1cc(N2CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc(OC)c1OC 761220204 WGJQQLDXDMSCAL-UHFFFAOYSA-N 428.426 4.193 10 20 IICD COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 764186349 GVZXFTPGIURYSP-UHFFFAOYSA-N 429.542 4.204 10 20 IICD O=C(Nc1ccccc1C(=O)NCc1cccc(Br)c1O)c1cccs1 765746036 BWBAODZPLFJWCS-UHFFFAOYSA-N 431.311 4.399 10 20 IICD C[C@H](N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 766599551 JVECWCQZLWZWJT-KKPNIWNPSA-N 425.592 4.470 10 20 IICD CCCCN(CC(F)(F)F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769715638 AFACXCKODMVRHE-UHFFFAOYSA-N 436.477 4.059 10 20 IICD CC(C)c1cccc2c1OCCC[C@H]2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 769879108 ZZBOUPWVFDWHQZ-HSZRJFAPSA-N 428.598 4.048 10 20 IICD C[C@H](NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 775403254 IEPSKOPLIJZAQU-KRWDZBQOSA-N 435.499 4.400 10 20 IICD Cn1nccc1[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1 775660926 ZZPOGVJMYWTSGR-NSHDSACASA-N 429.156 4.030 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1O 779014538 WVNWEGIEWRQMQG-WBVHZDCISA-N 446.389 4.016 10 20 IICD CCn1c(/C(Cl)=C/c2scnc2C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 782314178 QSZPIRDQTXAONE-UVTDQMKNSA-N 436.990 4.377 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(N)cc1 783483407 WBDPBQQWFIPQOK-CQSZACIVSA-N 439.418 4.323 10 20 IICD CS[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)C 784214569 MLYRSXUNYHHSQF-QGZVFWFLSA-N 433.540 4.119 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)Cc3coc4ccc5ccccc5c34)cc2)CC1 786254653 GPRPLXZFIASWDB-UHFFFAOYSA-N 441.531 4.113 10 20 IICD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 786529423 YGQJMQKKCZEGOE-UHFFFAOYSA-N 449.939 4.099 10 20 IICD Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)CNC4=O)c3C)c2C)c1 794274097 DBOCFEPZDGUFFH-UHFFFAOYSA-N 430.508 4.328 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)cn1 794861667 KMEHVVHVVJLVRC-KAMYIIQDSA-N 433.521 4.098 10 20 IICD Cc1cc(C(=O)[C@@H](C)OC(=O)C2CCC(O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 795645866 YRXSIMMNYNFBJL-KLHKWILBSA-N 435.467 4.361 10 20 IICD Cc1cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(C)n1-c1cccc(Cl)c1 799019224 KMNOMHFSNPSQFJ-UHFFFAOYSA-N 441.881 4.278 10 20 IICD Cc1ccoc1C(=O)NCCCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 799994718 PRFXTEFVABJOIM-MRXNPFEDSA-N 446.979 4.097 10 20 IICD CC[C@@H]1[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C 813043989 OXSYRXOQEZWPON-SJLPKXTDSA-N 435.528 4.370 10 20 IICD Cc1cc(C(=O)N(C)Cc2nncn2C(C)C)c(C)n1-c1cccc(Br)c1 817062476 JUDZAAMLNVDIIK-UHFFFAOYSA-N 430.350 4.301 10 20 IICD CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])sc2C)cc1 817945519 FKSHOODOJCPHSI-UHFFFAOYSA-N 449.510 4.235 10 20 IICD COC(=O)CCSc1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O 864017745 BPCLJMSMGIMSHW-UHFFFAOYSA-N 426.878 4.230 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2F)C[C@@H](C)O1 916691677 BCTQOEKKBYNKLV-IYBDPMFKSA-N 441.482 4.086 10 20 IICD C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917381176 XOIUJLQEOMFTBU-INIZCTEOSA-N 448.485 4.114 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc2)cc1 917713542 KMIWHISOIAWEJJ-UHFFFAOYSA-N 434.514 4.044 10 20 IICD C[C@H]1CN(c2ccccc2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920872515 VHSZUBKKWIXTDB-HSALFYBXSA-N 438.572 4.020 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)cc1 1317841353 SRXDAHSJIRLEBZ-UHFFFAOYSA-N 429.442 4.273 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(Cl)c3)cc2)C1 1317934965 XRLLUWSHPKAVOP-UGKGYDQZSA-N 440.975 4.088 10 20 IICD CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(F)c1 1319091078 UQRSSPKEUAOASM-KNQAVFIVSA-N 440.563 4.114 10 20 IICD CCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N(CC)CC 1327875428 KBZBAOFDVOPSJD-UHFFFAOYSA-N 431.602 4.328 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(F)n2)C3)cc1 1800513800 UOZFLNULKKTBDE-QQFNCUIESA-N 446.526 4.194 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCOc3cccc(C(F)(F)F)c3)CC2)cc1 110465263 JGADZDMPCHWDPT-UHFFFAOYSA-N 437.462 4.061 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 475957677 RODAQVIMMPUSSN-UHFFFAOYSA-N 434.393 4.135 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 726610115 CJXRDSLWYUPSLU-WOJBJXKFSA-N 446.414 4.358 10 20 IICD COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)c1 726628163 VCAITCHESKJIIJ-DJKKODMXSA-N 447.534 4.135 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3c(Cl)cccc3Cl)n2)c[nH]1 727247790 NHUKTXKTAUUFTQ-UHFFFAOYSA-N 432.310 4.032 10 20 IICD C[C@H](NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 727591129 LMJONLFQLLIBID-INIZCTEOSA-N 425.920 4.245 10 20 IICD CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)cc2)CC1 728460012 GTQGEYBBVLYZPA-UHFFFAOYSA-N 434.584 4.299 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)ccc21 728473630 RRHCYHVQXLGIPV-UHFFFAOYSA-N 443.588 4.281 10 20 IICD CC(C)COc1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1 728835837 MXEUYLWFSYZLEV-UHFFFAOYSA-N 431.536 4.466 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CCCS(C)(=O)=O 731166371 VIPGHIIDEDIKBE-SFHVURJKSA-N 442.503 4.123 10 20 IICD O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 731298813 NYXANUDWXHHKJJ-UHFFFAOYSA-N 440.300 4.282 10 20 IICD CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1F 731364554 RRLUEMKGNIEEHG-OAQYLSRUSA-N 427.499 4.133 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 734686463 OIJJGPXNEGWTKC-UHFFFAOYSA-N 449.382 4.035 10 20 IICD O=C1/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 735332029 VSQBDAQTUAUFEA-MZYRPWKCSA-N 441.530 4.379 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N=c3cc[nH]cc3)cc2)cc1 735877757 LHLVHQHIBKVRLE-RUZDIDTESA-N 430.552 4.135 10 20 IICD Cc1noc(-c2ccccc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 741924768 LQPGJTQALQSTCF-UHFFFAOYSA-N 428.439 4.045 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)c2c(F)cc(F)cc2F)NC(=O)OC(C)(C)C)cc1 742751541 VBQFZTDWRRJHLB-SFHVURJKSA-N 437.462 4.166 10 20 IICD CC(=O)Nc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C 743100299 DITRNTHKUYZESR-QGZVFWFLSA-N 432.471 4.345 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(OCC(F)F)cc3)cc2F)C[C@@H](C)O1 748617174 HXNCWENHSFEDMO-GASCZTMLSA-N 437.462 4.405 10 20 IICD C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1ccccc1Br 748964004 MFIHCOMFNZGMPS-INIZCTEOSA-N 430.346 4.092 10 20 IICD C[C@@H]1C[C@@H](NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c2c(O)ccc(F)c21 756598693 WIRHVIUFSGZITE-AUUYWEPGSA-N 442.512 4.460 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)sc2C)cc1 760305317 PETAQQLJQVAPSL-UHFFFAOYSA-N 443.550 4.158 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 761967372 MDNAGXPTQCVPPZ-UZUQRXQVSA-N 434.492 4.246 10 20 IICD O=C(NCc1cccc(Br)c1O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 765339875 RDENNRISHFYCMO-UHFFFAOYSA-N 434.168 4.403 10 20 IICD CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1cccc(Br)c1O 765771310 ZVYIHYAOSORLSU-UHFFFAOYSA-N 445.338 4.423 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CC(C)(C)Oc4cc(F)ccc43)CC2)cc1 765974491 HULSUWQPWLJJKB-NRFANRHFSA-N 427.520 4.405 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)cc2F)C[C@@H](C)O1 766351853 ANUFNPKALGGKBD-UWWPHRKUSA-N 436.449 4.277 10 20 IICD CCCN(CCc1cccs1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 768330008 HIQVKQPLTVCGSH-UHFFFAOYSA-N 432.609 4.193 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(C)cc1Br 768401801 MDNHXBUHUVPSFN-UHFFFAOYSA-N 430.346 4.020 10 20 IICD C[C@@H](NC(=O)N1Cc2cccc(Br)c2C1)c1ccc(N2CCOCC2)cc1 770357609 FERYVKPVTAIYKP-OAHLLOKOSA-N 430.346 4.072 10 20 IICD CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2ccc(N3CCSCC3)cc2)c1 772155182 PPSJVDIYEUMGOB-UHFFFAOYSA-N 441.597 4.446 10 20 IICD CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(Cl)c(Cl)c1O 775496698 JFQJLHHYVAFNSS-INIZCTEOSA-N 441.355 4.416 10 20 IICD Cc1cc(Br)cc([C@H](C)NCc2nnc3ccc(C(F)(F)F)cn23)c1O 779004342 DMFOWHYPUUVNNT-JTQLQIEISA-N 429.240 4.375 10 20 IICD Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2cc(Br)cc(C)c2O)cc1 779052151 NMADOSFXZYVTDO-CABCVRRESA-N 426.376 4.285 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Br)c3Cl)c2)CC1 781045677 NOUZVGWXAKIIEH-UHFFFAOYSA-N 436.737 4.023 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)c1 782796984 VPTKBHJQCPIELT-MRXNPFEDSA-N 443.519 4.126 10 20 IICD CCNC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 786400848 VNRSXVAIVNPOHC-LJQANCHMSA-N 426.517 4.055 10 20 IICD CN(Cc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 788777438 CXOBWZOFFFGCTB-UHFFFAOYSA-N 430.552 4.481 10 20 IICD COc1ccc(N2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)cc1F 793631294 GITXLPCNLIFIMV-UHFFFAOYSA-N 443.519 4.452 10 20 IICD CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801957942 UBUNJUHQWOSBSG-UHFFFAOYSA-N 448.502 4.094 10 20 IICD Cc1cccnc1[C@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(C)C 803677228 JTOARGQJPIPPSW-HSZRJFAPSA-N 436.600 4.289 10 20 IICD CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3 808014281 HKHLYFRJCWLSIY-UHFFFAOYSA-N 426.563 4.193 10 20 IICD CCOc1cc(CNCc2cc(Cl)cc(Cl)c2O)ccc1O[C@H](C)C(=O)N(C)C 809775539 DASZMFCEYVQSIG-CYBMUJFWSA-N 441.355 4.243 10 20 IICD C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1OCCCO 812740001 KGTCQQIYTUFKDS-QWHCGFSZSA-N 439.306 4.236 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@H]3c3cccnc3)cc2F)C[C@@H](C)O1 813591242 UTOWNPASRZBJGQ-HYFFOGBASA-N 426.536 4.127 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2 821683360 PQPZRCKBYQJOIA-UHFFFAOYSA-N 447.516 4.329 10 20 IICD O=C(CCOc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916458811 WFWDXOJBULBASF-UHFFFAOYSA-N 442.865 4.281 10 20 IICD CCN1CCN(c2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CC1 916671001 AJSKHWWAIOJXMG-UHFFFAOYSA-N 434.540 4.361 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3sccc3Br)cc2F)C[C@H](C)O1 917710235 BXGUCSMDIHTOGF-RYUDHWBXSA-N 427.339 4.193 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)n2)cc1Cl 917873010 UKLOSQFRNALTAH-UHFFFAOYSA-N 443.865 4.320 10 20 IICD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2F)C[C@H](C)O1 917918311 NMOFNCZAIMRGKV-IRXDYDNUSA-N 428.529 4.071 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(Cc3cccc(F)c3)C3CC3)cc2F)C[C@@H](C)O1 918220077 SQDRRNDBBLMVBK-CALCHBBNSA-N 429.511 4.453 10 20 IICD COc1cc(OC)c(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1Cl 919802867 CKVDKZOMKAPMSX-UHFFFAOYSA-N 426.847 4.350 10 20 IICD CCCCOc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC 919969093 NYNFLDIWGWKLQW-UHFFFAOYSA-N 426.557 4.013 10 20 IICD CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 920060589 WAHZDBBHYCGKTN-JAXLGGSGSA-N 428.621 4.040 10 20 IICD COc1ccc(C2=NN(C(=O)CN(C)c3ccc(OC)c(OC)c3)[C@H](c3ccco3)C2)cc1 920418451 VCXOGQDZSMTOLL-NRFANRHFSA-N 449.507 4.120 10 20 IICD CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920872580 USKSEUTUTBZWBB-RBUKOAKNSA-N 438.572 4.068 10 20 IICD CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1F 1338741112 BYCGHZGEHGRSNU-UHFFFAOYSA-N 427.568 4.054 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2ccc(Br)cc12 10907748 WFJFRGRTPXOVLT-UHFFFAOYSA-N 428.330 4.039 10 20 IICD COc1ccc(-c2noc(CN3CCN(Cc4cc(C(C)C)c(C)cc4O)CC3)n2)cc1 23269849 QZEAQNQIOPBMPC-UHFFFAOYSA-N 436.556 4.200 10 20 IICD COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C 303695496 NDGXGNYVTURYDL-NRFANRHFSA-N 432.524 4.049 10 20 IICD CC(C)c1nc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 726610123 DAQUVRDAIOKYIG-HOTGVXAUSA-N 434.581 4.061 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H](C)c3cc(OC)c(OC)cc3C)CC2)cc1 726610399 FFSIVTGJTJLBGG-QGZVFWFLSA-N 427.545 4.050 10 20 IICD CC[C@H](C)Oc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC 726626492 CNVYJISGYCUOFD-HCZVKUGISA-N 442.562 4.377 10 20 IICD CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1 727249045 KWEJZSGDPBHFAI-UHFFFAOYSA-N 435.596 4.179 10 20 IICD COc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 727841850 JHFOGQJTFLKXIM-SVMVAKDDSA-N 441.547 4.495 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(SC(F)F)cc3)cc2)CC1 731132111 ZNOWPFQPGHYMGY-UHFFFAOYSA-N 433.524 4.493 10 20 IICD O=C(Cc1csc(Cc2ccc(F)cc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 735517001 DSZRLVAFRUYVOI-OAQYLSRUSA-N 440.540 4.329 10 20 IICD Cc1cc(C(=O)CSCCOc2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccccc1 738426408 KJXSZTCGHCDLIX-UHFFFAOYSA-N 443.590 4.493 10 20 IICD Cc1cc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c(C)n1-c1ccc(F)cc1 740148163 JKECTYQCMBOMKB-FQEVSTJZSA-N 444.890 4.121 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 743808650 AXEZGXHXSQZXJT-NSHDSACASA-N 435.343 4.250 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3cc(C)ccc3F)C2=O)cc(OC)c1OC(C)=O 744413216 RXZUAYNTWCLJHA-ZDLGFXPLSA-N 447.509 4.482 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)cc1 744601209 VIHKDOGSPYZJSC-UHFFFAOYSA-N 425.536 4.127 10 20 IICD CC(C)CN1CCC[C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1 746325610 GKPCBMSUGJNQHT-JOCHJYFZSA-N 426.605 4.425 10 20 IICD Cc1ccc(Sc2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)cc2[N+](=O)[O-])cc1 747148002 MZIQZXZPAHUMIK-UYRXBGFRSA-N 441.534 4.357 10 20 IICD Cc1cc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 748066646 HBSUEKOYWVWLAE-OAQYLSRUSA-N 430.957 4.263 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 750862133 UFBZEFPFTXGOBJ-RTBURBONSA-N 444.597 4.111 10 20 IICD CO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCCCO2)C1 752845602 ULNHUWPJBQPCQX-VXKWHMMOSA-N 435.572 4.147 10 20 IICD COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1F 753747642 VEPFGLJRJSJEPW-ROUUACIJSA-N 433.321 4.049 10 20 IICD C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(Cl)c(Cl)c1O 756478943 JMPVNWYHSIPADC-HNNXBMFYSA-N 425.356 4.261 10 20 IICD CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 757012194 WEJZWTFLDUATCF-CTNGQTDRSA-N 430.593 4.122 10 20 IICD CCc1nc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccsc2n1 758145864 NZGGZGLKUXLOGH-UHFFFAOYSA-N 449.559 4.122 10 20 IICD CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)c1 758282582 HOZHRVYZJYNJOV-UHFFFAOYSA-N 437.477 4.060 10 20 IICD C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(Br)cc(F)c1O 760020895 ZLVPOWMHJUHZMZ-MAUKXSAKSA-N 437.353 4.236 10 20 IICD Cc1cc(C(=O)CONC(=N)Cc2cccnc2)c(C)n1-c1ccc(OC(F)F)cc1 760173413 PAQVXDDUUVVLTK-UHFFFAOYSA-N 428.439 4.014 10 20 IICD Cc1cc(C)cc([C@@H]2NC(=O)N(C3CCN(c4ccc(OC(F)F)cc4)CC3)C2=O)c1 761154693 CVECQWAZYDQQBE-FQEVSTJZSA-N 429.467 4.167 10 20 IICD Cc1cc(C(=O)CS(=O)(=O)Cc2ccn(C3CCCC3)n2)c(C)n1-c1ccccc1 763244037 IZVQFVMUOMQZAY-UHFFFAOYSA-N 425.554 4.203 10 20 IICD C[C@H](CC(=O)NCCCSc1nccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763386019 IKGYCJFELIUXKS-HZPDHXFCSA-N 427.636 4.415 10 20 IICD Cc1coc(-c2cc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc2C)n1 764259530 HEGFLEHRZUKAIT-UHFFFAOYSA-N 446.551 4.450 10 20 IICD C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(N2CCCCC2)c(F)c1 765331333 DYKHBWJJNIZBJL-OAQYLSRUSA-N 441.591 4.378 10 20 IICD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(SC)c(Cl)c3)n2)c[nH]1 766494257 BQPCOLKVMPZTDG-UHFFFAOYSA-N 443.959 4.101 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 769289280 CDVKUOHXXLPTET-LJQANCHMSA-N 445.357 4.198 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1c1ccsc1 769690320 PSYUSPHHHGUBHM-MRXNPFEDSA-N 434.564 4.293 10 20 IICD CCCC(=CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CCC 770697163 KVXIUGLECXULAM-UHFFFAOYSA-N 425.552 4.085 10 20 IICD CN1CCC[C@H](N2CCN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)CC2)C1 772697522 NUPYVCMXCBPDQP-QFIPXVFZSA-N 434.588 4.020 10 20 IICD C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(N(C)C)cc1 773010241 NIYXWGHHRXPUFR-KRWDZBQOSA-N 435.597 4.239 10 20 IICD COCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCCC1 773721848 UUUHJSSEWWWEBC-OALUTQOASA-N 435.584 4.226 10 20 IICD CC[C@@H](NC[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Br)ccc1O 775511234 CTPZKWUYFWEADX-MGPUTAFESA-N 438.362 4.064 10 20 IICD C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1cc(Br)ccc1=O 777823406 SIFMJFBIKWHNKC-INIZCTEOSA-N 441.325 4.106 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(Cl)cc3)cc2)CC1 779061691 PLBODQFBQZNOLW-XMMPIXPASA-N 440.996 4.454 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 784108740 PJWCDILSNXYRLG-UHFFFAOYSA-N 448.567 4.057 10 20 IICD COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(OCc2ccccc2)c1 784464131 WXUIMZYGOHBJBR-UHFFFAOYSA-N 447.535 4.433 10 20 IICD OCC1CCN(c2ccc(CNCc3cn(-c4ccc(Cl)c(Cl)c4)nn3)cc2)CC1 784513583 CTITXIOANIJZPZ-UHFFFAOYSA-N 446.382 4.073 10 20 IICD CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 788909786 HJFPSJXIAXNUEA-QHCPKHFHSA-N 437.584 4.205 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2F)C[C@@H](C)O1 789958367 DCLYYKQIKVIUJQ-TXEJJXNPSA-N 445.844 4.437 10 20 IICD CCn1cc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3Cl)SC2=S)cn1 790593383 ZSJPOBQDWVYAIH-PXNMLYILSA-N 429.958 4.207 10 20 IICD CC(C)n1ncc2cc(/C=C3/C(=O)N(C)c4ncc(Br)cc43)c(Cl)nc21 794877839 MUPCCQYDLWVYOL-LHHJGKSTSA-N 432.709 4.340 10 20 IICD Cc1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)ccc1I 798366108 JQMZKSLMKXPSKK-UHFFFAOYSA-N 449.336 4.199 10 20 IICD O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 804542976 OZVCKVSXZABRLH-QPPBQGQZSA-N 446.547 4.432 10 20 IICD CSCC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2ccccn12 806346388 KXCBWBBIAKTKBV-AWEZNQCLSA-N 440.356 4.035 10 20 IICD CNC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1Br 806735711 LZZOMEDKDLISTQ-UHFFFAOYSA-N 447.377 4.317 10 20 IICD COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)=O)c1OC 808483732 UWQYEXLSPZSKDH-SSZFMOIBSA-N 445.471 4.054 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccccn1)C1CC1 914445699 LGANIUHDZOCIQW-AQTBWJFISA-N 443.619 4.316 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccc4ccccc4n3)cc2F)C[C@@H](C)O1 917166676 YWZRQPYJYABIFT-IAGOWNOFSA-N 439.556 4.396 10 20 IICD Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1ccccc1Br 918101860 KFCXIGWPYZCOFT-MRXNPFEDSA-N 442.361 4.005 10 20 IICD CCc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)CC2)cs1 919894855 KNSREKTZHZVWGK-UHFFFAOYSA-N 438.597 4.080 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CC[C@@H](C)C2 1317741971 UFCBZHGKRFSHJL-CZUORRHYSA-N 426.538 4.138 10 20 IICD Cc1nc(C)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)s1 1845398124 BBXORUIRYJBHPD-UHFFFAOYSA-N 448.592 4.298 10 20 IICD O=C(COc1ccc(F)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933347 HFRPBTOOILQRRD-UHFFFAOYSA-N 446.828 4.030 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(C)n1-c1nccs1 726197624 VXYWBTSVIXDLTG-SFQUDFHCSA-N 426.592 4.390 10 20 IICD Cc1cc(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 728176421 OIEKFQCSKSJGIK-UHFFFAOYSA-N 439.581 4.218 10 20 IICD CCCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCSCC2)cc1 728516887 PZZCVOBZBHWRMW-UHFFFAOYSA-N 436.581 4.144 10 20 IICD Cc1nc(-c2cccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)n[nH]1 728738324 IMMJGKFNXSHJBX-UHFFFAOYSA-N 442.470 4.172 10 20 IICD Oc1c(Cl)cc(Cl)cc1CNCc1cn(-c2ccccc2Br)nn1 729684545 ZQYDOIFNLAHGSW-UHFFFAOYSA-N 428.117 4.332 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2)CC1 731131481 KAYCKSYHWIGXKD-UHFFFAOYSA-N 449.551 4.219 10 20 IICD O=C(N/C(=C/c1cccnc1)C(=O)N1CCc2ccc(Br)cc21)c1ccccc1 733155235 XVIUSMCLCVHALE-DEDYPNTBSA-N 448.320 4.204 10 20 IICD O=C(COC(=O)CN1CC(=O)Nc2ccccc21)Nc1ccc(N=Nc2ccccc2)cc1 733611468 MTYYIOCGTYQYFI-UHFFFAOYSA-N 443.463 4.042 10 20 IICD COc1ccc(O)c(CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 734067478 YXIYILWPRHTRJP-OAQYLSRUSA-N 434.471 4.130 10 20 IICD CC(=O)Nc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F 743087984 VYCZWHNJPPHONQ-OAHLLOKOSA-N 436.434 4.176 10 20 IICD CC(C)(C)OC(=O)Cc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 743228762 UKBSDSFTBXBSIF-UHFFFAOYSA-N 441.597 4.446 10 20 IICD Cc1cnc([C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)s1 743554981 NRBVDUFXYUXUEW-PJSUUKDQSA-N 432.565 4.155 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOCCc1ccccc1 745681539 LGCFHBVOQCSNIS-UHFFFAOYSA-N 435.362 4.336 10 20 IICD CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 748959848 LXYHLPBYHQKYBT-FUHWJXTLSA-N 445.551 4.406 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc2c(cnn2Cc2ccccc2)c1 751300162 SWUZQYAMGFAHBB-UHFFFAOYSA-N 445.486 4.442 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN(CC(C)(C)O)C3CCOCC3)c2C)c1 754657226 HLEXSZGVZVPAMR-UHFFFAOYSA-N 430.614 4.251 10 20 IICD C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(Br)ccc1O 756480282 URRCEXGVLKIDGS-OAGGEKHMSA-N 447.373 4.255 10 20 IICD C[C@H](NCCCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(Cl)c1O 756708404 QHHNADDCJNOCBH-NSHDSACASA-N 429.717 4.418 10 20 IICD C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cc(Cl)ccc1O 756760996 SOLJGTVKLHBCDA-ZDUSSCGKSA-N 425.754 4.496 10 20 IICD COCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 760808486 ZXHGVQNTVPONNO-KRWDZBQOSA-N 425.520 4.153 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n(-c2ccccc2)n1 761916376 YPNACLICJZLVMX-UHFFFAOYSA-N 445.567 4.205 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 762971554 NBMYBFUIIRVVFB-UHFFFAOYSA-N 430.411 4.076 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 763285082 ZZPIPZXJWJAIRV-CYBMUJFWSA-N 446.297 4.393 10 20 IICD C[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCOCC2)cc1 767900175 PRGHEWRXOZRBCV-IBGZPJMESA-N 439.556 4.142 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 768708452 QLKWTSDCUILMOO-LJQANCHMSA-N 425.426 4.155 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 768993759 OYLDGHVQJLGKHQ-UHFFFAOYSA-N 437.569 4.095 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 772239873 FSRVLQXJROCTET-UHFFFAOYSA-N 442.515 4.128 10 20 IICD C[C@@H](NCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 775255862 SYFTZLZPYOBBFZ-JOCHJYFZSA-N 443.591 4.422 10 20 IICD CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Br)ccc1O 775499789 WFONZLOECCMXLO-FZKQIMNGSA-N 441.391 4.207 10 20 IICD CC[C@@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cc(Cl)ccc1O 775523080 FUUMHZJSLBIUCW-LJQANCHMSA-N 432.948 4.408 10 20 IICD CC[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cc(Br)ccc1O 775541028 SKYKHFNXYLAHNQ-OALUTQOASA-N 432.362 4.168 10 20 IICD COc1ncc(/C=C/C(=O)N(Cc2ccc3ccccc3n2)c2ccc(N(C)C)cc2)cn1 776342038 WWILRSBWBVZYHR-OVCLIPMQSA-N 439.519 4.346 10 20 IICD O=C(NC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1)Nc1ccccc1 782706732 OXHOXFXYQHPJCH-HSZRJFAPSA-N 435.572 4.173 10 20 IICD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2C)c1 783317067 UCZSCGQZAXRTPN-UHFFFAOYSA-N 447.583 4.239 10 20 IICD O=C(NCc1c(F)cc(F)c(F)c1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 797444520 CWCFQNVASWDWBP-UHFFFAOYSA-N 447.379 4.313 10 20 IICD CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 799589437 PCNNUBMSTJFJQP-IBGZPJMESA-N 445.673 4.309 10 20 IICD C[C@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@H](CO)C4)ncn3)cc2Cl)C1 799963300 JUNYOAMFNFNWFR-HKUYNNGSSA-N 429.996 4.187 10 20 IICD CCO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 799993097 CCQIWYAYPIJKII-HZPDHXFCSA-N 449.983 4.398 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccnn3C3CCCC3)cc2Cl)C1 800636112 FLEBFBVNCWOUMQ-INIZCTEOSA-N 443.979 4.143 10 20 IICD CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cc1O 810208319 AYRVAMCDJWDNIM-HXUWFJFHSA-N 435.490 4.040 10 20 IICD COc1ccc([C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1O 810233641 NEXRTQFRCUVCSC-UZLBHIALSA-N 429.561 4.383 10 20 IICD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 811704312 ZIBXZLDJJPYRFJ-UHFFFAOYSA-N 448.324 4.211 10 20 IICD Cc1cc(-c2nnc(N(CCCCO)C3CC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 812392043 VGDGIVLFFIXLBA-NRFANRHFSA-N 449.599 4.130 10 20 IICD COc1c([N+](=O)[O-])ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c1O 814177375 ZUTXRIIVVRSDDT-SJKOYZFVSA-N 426.391 4.290 10 20 IICD C[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(N(C)C)cc1 814321304 IWCRFCYOAUUHAU-GOSISDBHSA-N 430.593 4.246 10 20 IICD Cc1cc(CC(=O)Nc2ccccc2NS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 914469382 NRUKQVMNWVYCIO-UHFFFAOYSA-N 431.945 4.300 10 20 IICD COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C 914613499 BTSHCKFDXBEPSW-OAHLLOKOSA-N 427.888 4.335 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c(C)c1 914851038 VFEOEHCKNLXULU-UHFFFAOYSA-N 434.539 4.254 10 20 IICD O=C(CSc1ccccc1C(=O)N1CCSCC1)NC12CC3CC(CC(C3)C1)C2 917216435 MKRFBBIPIANHIL-UHFFFAOYSA-N 430.639 4.053 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cccc4c3OCCCO4)SC2=S)c1 917644237 WOGVSWRFXXGCGI-WOJGMQOQSA-N 426.519 4.212 10 20 IICD O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(N2CCOCC2)c(F)c1 917709591 RGKTTWOOGZUALS-UHFFFAOYSA-N 426.463 4.310 10 20 IICD CN(C)c1ccc(CN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)C2CC2)cc1 918062367 PTFAYVAZHMGMGO-UHFFFAOYSA-N 429.948 4.094 10 20 IICD C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918219016 BQRVVIJSGAYYFZ-OAHLLOKOSA-N 442.560 4.299 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(F)cc3NC(=O)c3ccoc3)CC2)cc1 918369170 NPICCQUTUPUUPX-UHFFFAOYSA-N 437.471 4.032 10 20 IICD CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 920234110 NEBRUCBNXZUHOV-UHFFFAOYSA-N 428.508 4.031 10 20 IICD CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1343165931 PKLRCCYMTHRNRB-UHFFFAOYSA-N 437.540 4.085 10 20 IICD CC(C)CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1791256108 XTXXUEZROCGFFN-AWNIVKPZSA-N 438.524 4.387 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)cc1 9932373 RFMKBZHTUUXYPM-UHFFFAOYSA-N 446.389 4.074 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 15134443 SNNKQKDVQMWUPR-UHFFFAOYSA-N 449.985 4.198 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3csc(-c4cccs4)n3)CC2)cc1 97133385 DZXYKGIUAUYWRC-UHFFFAOYSA-N 445.635 4.462 10 20 IICD C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 109190899 HAQRIKZDCBKYFW-KRWDZBQOSA-N 435.549 4.328 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1CC(F)(F)F 117739226 BHTLTTLBWHNCEZ-HUUCEWRRSA-N 441.469 4.350 10 20 IICD COc1ccc(N2CCC(NCc3ccc(OC)c(OCc4cccnc4)c3)CC2)cc1 237574370 PYLXXQIMJSCVPS-UHFFFAOYSA-N 433.552 4.436 10 20 IICD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1Oc1ccccc1 725903385 VAQXQHKSUJSQFB-HNNXBMFYSA-N 426.494 4.047 10 20 IICD CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 727241909 LXKANMPOJSCGEJ-UHFFFAOYSA-N 431.539 4.276 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1F 727602634 ULIHJMUYXYKHPV-LJQANCHMSA-N 426.319 4.482 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C(C)=O)ccc21 728637601 NXQUIHCZRUXVRL-SFHVURJKSA-N 436.508 4.291 10 20 IICD CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 730317853 BJQXKYASBPOTID-LJQANCHMSA-N 440.525 4.285 10 20 IICD Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1 732478959 KFBAPCBYKNJJLF-UHFFFAOYSA-N 443.547 4.429 10 20 IICD CCc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cn2)c1 734702065 SNFIXFBKEWZYGQ-UHFFFAOYSA-N 432.524 4.066 10 20 IICD CCN(CC)CCOc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 735744846 BHIUSYAPIDFHGR-UHFFFAOYSA-N 440.588 4.160 10 20 IICD C[C@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 738460859 QTIYAMPHWBWSIQ-ZACQAIPSSA-N 429.511 4.407 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(F)ccc1SCC(F)F 739069468 TVHYSPFTYXIOPH-UHFFFAOYSA-N 437.487 4.038 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(Cn2cnc3ccccc32)c1 741082047 DNMDVSLDYFTEBP-UHFFFAOYSA-N 437.547 4.460 10 20 IICD COc1cc(N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 741798944 OCAPJMNFUKPHAV-LBPRGKRZSA-N 427.328 4.333 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1Br 742806244 QWAKXCLNQIJHFC-ZDUSSCGKSA-N 425.273 4.449 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1)C1CCCCC1 743414740 UUYAMCXQJZWQKW-UHFFFAOYSA-N 437.540 4.218 10 20 IICD CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Br)cc(Br)c2O)n[nH]1 754155545 XTHHRJPXUAJPLZ-RKDXNWHRSA-N 432.160 4.400 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)c(Br)c1 755835075 FJCPKGKCRIHLHX-UHFFFAOYSA-N 442.716 4.400 10 20 IICD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(F)c1Cl 758161196 ARFQUQWTEPLKFA-UHFFFAOYSA-N 445.658 4.390 10 20 IICD CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 760012778 IGFYERZHZUMAJR-UHFFFAOYSA-N 433.549 4.177 10 20 IICD CCOc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(Cl)c1O 762581533 GHGDRVBFNXJQAK-ZIAGYGMSSA-N 436.911 4.127 10 20 IICD Cc1sc(NS(=O)(=O)c2cn(C)c(Cl)n2)nc1-c1ccc(Br)cc1 764527697 PXVBQWILCBOEDY-UHFFFAOYSA-N 447.767 4.069 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N2CCCC2)cc1 764599874 NGNNOPUZVYAMRL-KBMIEXCESA-N 427.564 4.159 10 20 IICD COc1cc([C@@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1OC 765128470 VUEAICWAHAWHGU-IXDOHACOSA-N 432.536 4.316 10 20 IICD CCc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 765275350 CNGUNBUOEMUCHT-QGZVFWFLSA-N 425.577 4.417 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1cccc(F)c1)c1ccccn1 766254395 ZZZUTCRMVROLKY-VWLOTQADSA-N 448.542 4.018 10 20 IICD COc1ccc2c(c1)CCCCN2CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 766267304 BJQUKLNUADCONN-UHFFFAOYSA-N 447.535 4.024 10 20 IICD O=C(Nc1cnc(Cl)c(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 767896714 HOBDZKDVZKCUFR-AWEZNQCLSA-N 440.725 4.416 10 20 IICD CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)NCc1ccc(N(C)C)cc1 770456950 IYPLRAAAWMVMQI-UHFFFAOYSA-N 439.737 4.066 10 20 IICD COc1cc(Br)cc(CN[C@H](c2ccc(Cl)cc2)c2noc(C)n2)c1O 770740765 XUPDPERBIPBYRR-MRXNPFEDSA-N 438.709 4.387 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 772629141 ALRKAYQYDUIJTI-UHFFFAOYSA-N 437.525 4.209 10 20 IICD CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1O 775541393 XZKJSIBHRPXOMS-MOPGFXCFSA-N 438.399 4.029 10 20 IICD Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nn1-c1ccc(F)cc1 777376055 XCUHFXKSJYVTIS-QHCPKHFHSA-N 436.531 4.207 10 20 IICD COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 782187409 ANJQXTDGAJKVIW-LZYBPNLTSA-N 437.901 4.437 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(-c2nccn2C)c1)c1ccc(N)cc1 783486564 OGUAOHZVQWSKCE-GOSISDBHSA-N 439.519 4.402 10 20 IICD Cc1cc(Br)ncc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061311 ALZOFJCLBNACKE-UHFFFAOYSA-N 431.334 4.039 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 788973978 BMWZGUGNRABCQM-LJQANCHMSA-N 430.552 4.088 10 20 IICD COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1Cl 789409696 ZODDOBVTNRJZBI-UHFFFAOYSA-N 429.948 4.372 10 20 IICD CCOC(=O)c1c(NC(=O)CN2CCC[C@@](C)(O)CC2)sc(C)c1-c1ccccc1 791630190 AEFABYXFOXOHDD-HSZRJFAPSA-N 430.570 4.076 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1N1C(=O)CNC1=O 794268666 BIKDJTTUCOXACM-UHFFFAOYSA-N 436.899 4.364 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 801548151 AINKNJMAXZUFJM-UHFFFAOYSA-N 443.594 4.463 10 20 IICD COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 811865427 BXEHGKULAIIGBV-AREMUKBSSA-N 445.563 4.315 10 20 IICD C[C@H](OC(=O)c1cc2ccsc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 817708179 VIHTZUUAUWWKJK-LBPRGKRZSA-N 444.468 4.189 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccc(F)cc1F 914478577 XPYWSWJWUBJDAR-YBEGLDIGSA-N 438.546 4.324 10 20 IICD COc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1Cl 915749542 XPKPABXJHKHYDX-UHFFFAOYSA-N 425.916 4.054 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CCCC3)cc2)C1 918123252 RTWLXJSSCQVCKA-UPVQGACJSA-N 434.584 4.119 10 20 IICD COc1ccccc1CN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 918219006 BJVVMKWRCJWUQD-ROUUACIJSA-N 441.547 4.322 10 20 IICD CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220330 WPRRIYGCEIYDMW-UHFFFAOYSA-N 427.564 4.426 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCOC4=O)cc3)c2C)c1 919142412 DQNYFGBNDYLIQQ-UHFFFAOYSA-N 432.476 4.399 10 20 IICD Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919969748 YCXDECNVEKHZTF-SFHVURJKSA-N 428.548 4.302 10 20 IICD C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)(F)F)cc1 920027618 QLJHNWIWBQVXDU-VQIMIIECSA-N 447.501 4.217 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 9975476 MDXDODISSAIMKP-UHFFFAOYSA-N 439.943 4.423 10 20 IICD CN1CCCc2cc(CNC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)ccc21 302945547 CAHSJKOZGFKTMX-RUZDIDTESA-N 426.516 4.453 10 20 IICD Cc1c(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)n(C)c2ccccc12 475191685 OUWWIVWLSCTTSP-UHFFFAOYSA-N 427.976 4.141 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)NCCCc3cc(N)n(-c4ccccc4)n3)ccc21 484259137 WJEZWOJJWQCSEB-UHFFFAOYSA-N 445.567 4.035 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4ncccc4I)CC3)c2c1 525366245 DXPHMQXCEGOJDM-UHFFFAOYSA-N 431.277 4.470 10 20 IICD CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(F)(c3cccnc3)CC2)C1 568670323 XPPVADFGHNZSEB-UHFFFAOYSA-N 434.559 4.290 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3ccnc(OCc4ccccc4)c3)CC2)cc1 726613668 NFICLIUAYGBVIH-UHFFFAOYSA-N 446.551 4.137 10 20 IICD CCOc1ccc(OCC)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 726901730 DBEQTROFFGIDND-QGZVFWFLSA-N 429.586 4.368 10 20 IICD COc1ccc(C(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)c(OC)c1 726962463 XZLJWEBGTIUWDM-UHFFFAOYSA-N 446.503 4.267 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 727607170 NHQNLDKEFBELKD-UHFFFAOYSA-N 431.536 4.451 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 729046629 SRUSXZCQMRNBKE-SFHVURJKSA-N 447.535 4.200 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cc(F)c(F)cc1F 729576905 WSOLIWACFRBBDW-UHFFFAOYSA-N 433.352 4.281 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C 729580198 MDTBMIRKEMSBEM-UHFFFAOYSA-N 444.601 4.409 10 20 IICD O=C(NCCCSc1nccs1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 734358865 RTEQTISJPRSJFZ-GOSISDBHSA-N 439.606 4.447 10 20 IICD CCc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cs2)cc1 736195344 FOTBUSDFKGUQHZ-UHFFFAOYSA-N 449.620 4.440 10 20 IICD CC1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3F)c2)CC1 739601935 CZDKTZAXZHKXTQ-UHFFFAOYSA-N 447.576 4.343 10 20 IICD CSC1(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCOCC1 742110342 XQNALOPGPJZHNI-UHFFFAOYSA-N 437.403 4.499 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c1 742180946 NHLDKRPNKNXOIY-UHFFFAOYSA-N 449.599 4.431 10 20 IICD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(Br)c2)cc1 743344062 PFSXJIVTTDRXLE-UHFFFAOYSA-N 427.339 4.008 10 20 IICD COc1ccc(Br)c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1 747859438 XGLQLLSFYOYLPP-UHFFFAOYSA-N 431.358 4.444 10 20 IICD COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC1CCCC1 752493998 DWXRZDAPHIQJHH-UHFFFAOYSA-N 442.531 4.047 10 20 IICD CN(c1ccc(CNC(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)cc1)C1CCCCC1 752960344 SMNGTCRPDKURKG-YPKPFQOOSA-N 431.540 4.143 10 20 IICD C[C@@H](NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1 753765694 YULHLFRBASLOMO-GOSISDBHSA-N 435.584 4.350 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)cc1F 753876387 MTQHGYJCOCLAJL-UHFFFAOYSA-N 448.498 4.441 10 20 IICD C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)c(F)cc1O 756547344 BFTWLDDTRGPGTD-CQSZACIVSA-N 437.353 4.101 10 20 IICD C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)cc(F)c1O 756635760 TUUDYCIPRGRTLJ-AWEZNQCLSA-N 437.353 4.101 10 20 IICD O=C(O)Cn1cc(/C=C(\Cl)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1 759074490 AIQPMYUMHQEOLG-SXGWCWSVSA-N 428.279 4.151 10 20 IICD CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1ncc(C(C)(C)C)s1 759720158 XBTKCBJNWDNHCC-UHFFFAOYSA-N 435.615 4.419 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc(OC)c1OC 760103439 GDLTYUOAPQFYLT-NRFANRHFSA-N 441.572 4.331 10 20 IICD C[C@H](c1ccccc1)N1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 761260003 ZAOCDNSQJZJOFF-MRXNPFEDSA-N 427.932 4.035 10 20 IICD Cc1ccccc1-n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 761916256 WCHAJKQQDJVPPW-UHFFFAOYSA-N 445.567 4.205 10 20 IICD Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 762269918 FCCKADTXZDUITK-QPPBQGQZSA-N 434.584 4.052 10 20 IICD CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl 764458115 QJYZGBQTLKHKKI-YADARESESA-N 444.019 4.307 10 20 IICD C[C@@H](c1ccccc1)N1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 764786025 XJERWDYXZKEVON-HNNXBMFYSA-N 432.362 4.180 10 20 IICD COc1ccc(N2CCC(NCc3cccc(NC(=O)NCc4ccncc4)c3)CC2)cc1 765984838 CHWNVKGAWSDOMW-UHFFFAOYSA-N 445.567 4.171 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(-c2ncccc2F)n1 768419022 VQSKKPQFZGRHEZ-UHFFFAOYSA-N 436.306 4.475 10 20 IICD CC(C)N(Cc1ccccn1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 768926758 NAHBBLDWPBOILL-UHFFFAOYSA-N 436.478 4.057 10 20 IICD O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769966015 LQQLNPFGYHLIHO-INIZCTEOSA-N 448.488 4.105 10 20 IICD Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)c1 773849241 YDMHOWSTLSFMNZ-IBGZPJMESA-N 431.536 4.456 10 20 IICD CCCOc1c(Cl)cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1OC 781045854 SVXXGBZILQWOMG-UHFFFAOYSA-N 445.947 4.058 10 20 IICD Cc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(Br)cc1 781166061 HPPKXRJKZCEUNL-UHFFFAOYSA-N 446.389 4.187 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 785296023 ATDOLRVMPOVIKD-CYBMUJFWSA-N 442.874 4.243 10 20 IICD CN(C)c1ccc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C(F)(F)F)c1 792848252 JKEQDKXPEUUUHM-UHFFFAOYSA-N 434.506 4.081 10 20 IICD CC[C@]1(c2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CCC(=O)NC1=O 792859277 VQGUUOFMGUAMQO-JOCHJYFZSA-N 433.474 4.468 10 20 IICD CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)cc1 793577523 UYLRECSIWWMGOU-NEPJUHHUSA-N 430.339 4.499 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1nc(-c2ccccc2F)cs1 794791257 HDNZYWGUTWHFIM-UHFFFAOYSA-N 431.876 4.273 10 20 IICD Cc1ccc(F)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1Br 796712717 OOWUMECMGQROGQ-UHFFFAOYSA-N 448.336 4.092 10 20 IICD COc1cc(N2CCN(C(=O)N[C@@H](C)c3ccccc3SC)CC2)cc(OC)c1OC 799395489 VGROSGFTDGRRSH-INIZCTEOSA-N 445.585 4.027 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(-n4ccnc4)nc3)cc2Cl)C1 799861923 TYVIIKCITVYHBX-QGZVFWFLSA-N 438.963 4.156 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)cc2Cl)C1 799993912 LRVNWJZRTQPUBK-BHIYHBOVSA-N 435.012 4.023 10 20 IICD Cc1cc(-c2nnc(N3CCC4(CCO4)CC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802760917 ICFCDRCAPANAHG-NRFANRHFSA-N 447.583 4.148 10 20 IICD Cc1noc(C)c1C(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 804868121 WPCKQQJYCXQIJN-RVDMUPIBSA-N 449.623 4.386 10 20 IICD COCCC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 804975592 PZRMHMWPGIPKSD-NRFANRHFSA-N 445.991 4.186 10 20 IICD CC[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@H](C)S1(=O)=O 805398274 ZXMZFDYPTFEGJV-LPHOPBHVSA-N 428.558 4.206 10 20 IICD Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(C)c1Br 807512810 KMQHRCXOYZPTPQ-UHFFFAOYSA-N 446.128 4.333 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(F)c(F)c3)cc2Cl)C1 807952645 IXOSVACRVYWGHZ-HNNXBMFYSA-N 449.929 4.129 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc4c(s3)CCCC4(C)C)cc2)CC1 810362854 XEIQKZMTTYNFQG-UHFFFAOYSA-N 440.613 4.248 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 813685185 UKYHLGLRGWRHGX-LBPRGKRZSA-N 440.302 4.398 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(OC(F)F)c(F)c1 857472788 NXNGBHGRWLGKPZ-OAHLLOKOSA-N 428.838 4.181 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OCC(F)(F)F)cc1 916672952 NRPKNIPMCVPFSA-UHFFFAOYSA-N 437.462 4.158 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCc4cccnc4)cc3)cc2F)C[C@H](C)O1 917715730 UDWPKAKBNCWKEQ-OALUTQOASA-N 449.526 4.343 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(OC4CCCC4)c3)cc2)C1 918031978 RZHUTCBUSLDTCS-IBGZPJMESA-N 436.556 4.031 10 20 IICD CCCn1c(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2cc(OC)ccc21 918138706 QFLMMGZBNHAVQC-UHFFFAOYSA-N 439.531 4.274 10 20 IICD C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(N2CCOCC2)cc1 920880555 JIBGFOPXZUDXRM-MRXNPFEDSA-N 441.478 4.266 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 1319052560 JGUGLJRCJLKXTO-UHFFFAOYSA-N 434.721 4.461 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)c2C)cc1 1322275746 XGJJCSNVUXUJDZ-NRFANRHFSA-N 431.536 4.137 10 20 IICD Cc1cc(C(=O)Cn2nc(C(C)(C)C)ccc2=O)c(C)n1-c1ccc(OC(F)F)cc1 72090080 RBLXLWVIXMUPBQ-UHFFFAOYSA-N 429.467 4.433 10 20 IICD COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Br 318349570 UUJPTWXVASVWSU-UHFFFAOYSA-N 427.103 4.271 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)n(C)c2ccccc12 551224959 QGKDGTDUYJGRTN-UHFFFAOYSA-N 439.821 4.294 10 20 IICD CC(=O)c1cc(Br)ccc1OCC(=O)NCc1c(C)c2ccccc2n1C 552540779 PREKLEMPGAQDBX-UHFFFAOYSA-N 429.314 4.147 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 725867916 AVIZTANKGNMEIQ-FPOVZHCZSA-N 433.474 4.240 10 20 IICD C[C@H](NC(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccc(N2CCOCC2)cc1 727843201 UHOOXZIJNLYSNZ-YCRPNKLZSA-N 444.373 4.333 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 728946928 NFYQFIAYAZNWPY-HNNXBMFYSA-N 437.471 4.353 10 20 IICD Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 729567224 FNGSBXVXNZUQKS-UHFFFAOYSA-N 449.580 4.437 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(OCc4ccncc4)cc3)CC2)cc1 729571579 ZXNKRZIILCMGIK-UHFFFAOYSA-N 432.524 4.460 10 20 IICD CCCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730132485 DRQRRJNYOZLFFW-UHFFFAOYSA-N 442.579 4.098 10 20 IICD COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 734063317 JNUOUSALQIMGLE-UHFFFAOYSA-N 427.501 4.410 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](CN1CCCCC1)c1ccccc1 734269870 KVEQOKQCKVQZKG-XMMPIXPASA-N 438.641 4.266 10 20 IICD O=C(CCC[S@](=O)c1ccc(Br)cc1)NCCCSc1nccs1 735054169 PDHJEDVLZRKNQH-DEOSSOPVSA-N 447.445 4.092 10 20 IICD Cc1cc(C(=O)COC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)c(C)n1-c1ccccc1 735353138 ADFZJTDQVLAFGV-UHFFFAOYSA-N 445.431 4.296 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 736013768 CADPGSWTAOGLCV-UHFFFAOYSA-N 425.819 4.248 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2F)C[C@@H](C)O1 736652597 BNXBDMOVBIXPAF-UEXGIBASSA-N 443.538 4.353 10 20 IICD Cc1cc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C)n1-c1ccc(Cl)cc1 739816213 YFGRAQCCXOVXSW-KRWDZBQOSA-N 435.911 4.205 10 20 IICD CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 742245936 PYAQOONIMDUJKP-OKILXGFUSA-N 444.576 4.067 10 20 IICD COc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 742768155 WEALYDVIMGDRAW-HZPDHXFCSA-N 430.595 4.392 10 20 IICD O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)N(Cc1ccccc1O)C1CCCCC1 745289820 RGOXQKGFUXCUPU-DEOSSOPVSA-N 437.584 4.138 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)OCCCO2 745801367 QXGXAHKACSSWKV-UHFFFAOYSA-N 435.318 4.048 10 20 IICD CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 746010298 BXXYDNQMFZVPEO-UHFFFAOYSA-N 438.465 4.400 10 20 IICD CCOC(=O)[C@]1(CCSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)CCCC1=O 746139727 BSVBIHOROKWRLM-QHCPKHFHSA-N 444.553 4.126 10 20 IICD COC(=O)COc1c(C)cc(/C=C2\SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1C 746362611 XCOCOFPYDUFTJC-QFJNHVRVSA-N 431.579 4.245 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 749162805 BSWGTVILMPFJOF-HSZRJFAPSA-N 432.568 4.182 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc(F)c(Br)c2)cc1 750873998 CYTXETGDHMCZJX-LJQANCHMSA-N 449.364 4.405 10 20 IICD Cc1cc(C)c(N2C[C@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)c(C)c1 751300139 SVLGCYZRVBHSPN-LJQANCHMSA-N 439.519 4.313 10 20 IICD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c(C)o1 754692876 DKFQNAQTEXXHID-UHFFFAOYSA-N 430.866 4.091 10 20 IICD COc1c(F)ccc(F)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 755412685 IJWUMEHDTYYHGS-SFHVURJKSA-N 449.498 4.035 10 20 IICD O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccco1)Cc1ccccc1O 755811614 ZZJAQCZDEFPXNR-UHFFFAOYSA-N 445.269 4.427 10 20 IICD COc1c([N+](=O)[O-])cc(N2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1Br 756141114 MLXWFWRLHRZXQJ-LLVKDONJSA-N 440.225 4.407 10 20 IICD C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc2c(cc1O)CCCC2 756392781 NDGMGPCTFIUKTB-GOSISDBHSA-N 428.598 4.296 10 20 IICD C[C@H](NCCCNC(=O)c1cccc(F)c1)c1cc(Br)cc(Cl)c1O 756706554 BARJRVROZPVWST-NSHDSACASA-N 429.717 4.418 10 20 IICD COc1cc(N2CCN([C@H](C)c3cccc(Br)c3)CC2)cc(OC)c1OC 759873584 WBWWIRXBMGRYAC-OAHLLOKOSA-N 435.362 4.358 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 761972249 HXTJZMUFTALORE-VFNWGFHPSA-N 426.513 4.113 10 20 IICD CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 763994361 SUZCIOQNJBIMFW-UHFFFAOYSA-N 430.936 4.237 10 20 IICD COc1ccccc1[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 764550796 VYEDMAPDHXOCEI-DVECYGJZSA-N 427.564 4.159 10 20 IICD COc1ccc(N2CCC(NC[C@H](O)COc3cccc(Cl)c3Cl)CC2)cc1 765331618 MNLYFZAIWSQUCF-KRWDZBQOSA-N 425.356 4.000 10 20 IICD CN(CC1=Cc2cc(Br)ccc2OC1)Cc1ccc(N2CCOCC2)cc1 768207299 BGLAGKIIRAQCOQ-UHFFFAOYSA-N 429.358 4.194 10 20 IICD COC(=O)c1cccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 769006764 HZBULDDUTXPPAW-UHFFFAOYSA-N 435.524 4.087 10 20 IICD CCCc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(=O)OC)nc3)sc2C)cc1 769668521 WFSRSVKXWIAGHC-UHFFFAOYSA-N 431.539 4.053 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1O 774929871 PFFYCCMYGVMCJT-GJZGRUSLSA-N 427.501 4.348 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1Br)OCCCO2 777546038 ZYXCRVJSJHCHAJ-UHFFFAOYSA-N 447.373 4.079 10 20 IICD Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 782838073 ZMSPXWPILPPDBC-UHFFFAOYSA-N 438.406 4.080 10 20 IICD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 788500635 DQJDGKNFPFFZIF-WPFOTENUSA-N 438.568 4.081 10 20 IICD CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 788913738 YYEVKVIKQZFPTN-GOSISDBHSA-N 425.598 4.281 10 20 IICD O=C(Cc1cccc(C(F)F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 790543606 PWQAJSFLIIGBGS-UHFFFAOYSA-N 428.401 4.339 10 20 IICD O=C1/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1CCc1cccnc1 790590061 HVVIAQHDIYHWSF-WOJGMQOQSA-N 440.981 4.424 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 802496392 SDGMYYCFJZBHOJ-JOCHJYFZSA-N 435.572 4.125 10 20 IICD CC[C@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1cccc(Cl)c1O 806145481 KFVZJVRSEAMNLU-FQEVSTJZSA-N 446.975 4.469 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 809541908 ZYGRYVXRSVPLIC-UHFFFAOYSA-N 430.474 4.360 10 20 IICD COc1ccc([C@H](Cc2ccccc2)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 810211848 XBLXKLOWCOLWLT-IGKIAQTJSA-N 443.591 4.471 10 20 IICD CNC(=O)c1cc(Oc2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3O)cc2F)ccn1 810255669 RDDIXBDSAONGDC-GFCCVEGCSA-N 426.404 4.160 10 20 IICD Cc1cc(CCNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccccc1 915300324 BFJAXWYOTWHKBE-UHFFFAOYSA-N 443.551 4.256 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ncc(Cc2ccccc2)s1 916671975 YRNVAUPWWULWRZ-UHFFFAOYSA-N 440.544 4.156 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(OCc2cscn2)c1 917386198 SKJPBFYLVCKGIH-UHFFFAOYSA-N 425.579 4.205 10 20 IICD O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(N2CCOCC2)c(F)c1 917710004 YPDPAUSVLRVTTO-UHFFFAOYSA-N 445.947 4.298 10 20 IICD COc1ccc(CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)cc1 918221945 SUJATVWGELMJEY-ROUUACIJSA-N 441.547 4.322 10 20 IICD CCc1ccc(-c2csc(NS(=O)(=O)c3ccc([C@@H](C)NC(C)=O)s3)n2)s1 918744148 XERCBNRZHMYXEQ-SNVBAGLBSA-N 441.625 4.493 10 20 IICD C[C@H](Oc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1)c1ccccc1 919214523 KYQNZNPYOBXGEP-IBGZPJMESA-N 447.535 4.103 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CCc2cc(F)ccc21 919919434 CKTSKOKYVHXLRV-FQEVSTJZSA-N 437.437 4.168 10 20 IICD CCN(Cc1c(O)ccc2ccc(O)c(CN(CC)C[C@@H]3CCCO3)c12)C[C@@H]1CCCO1 919946053 XQVZFCWEINJDAM-SFTDATJTSA-N 442.600 4.253 10 20 IICD COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1OC 920418791 IWRPWTKHISGUJD-UHFFFAOYSA-N 433.508 4.339 10 20 IICD CCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 920867290 RXUHLOXIUNCPMW-MOPGFXCFSA-N 441.572 4.442 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC(c1ccccc1)c1ccccc1 920867910 XHLQVBCVCZQIAA-VXKWHMMOSA-N 443.591 4.468 10 20 IICD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 921244708 MMEXOTUEFBDTAZ-GCJKJVERSA-N 443.975 4.263 10 20 IICD CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290692 FYRFHOCJGXFYHF-HNNXBMFYSA-N 434.924 4.216 10 20 IICD C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCOCC2)cc1 109179327 JSZJMGAHWLITDL-QGZVFWFLSA-N 435.549 4.328 10 20 IICD C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 109182986 YFFCWWFHNXMLAQ-NRFANRHFSA-N 430.548 4.370 10 20 IICD CCCCCC(=O)NC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 483523931 KNDUDBYJSGKGPL-UHFFFAOYSA-N 427.589 4.206 10 20 IICD O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cn(-c2ccc(F)c(Cl)c2)nn1 543947528 LELGJSZCTKSWFP-XFFZJAGNSA-N 428.254 4.367 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 727176725 YSTSLAIXVASPLN-SYZQJQIISA-N 440.377 4.087 10 20 IICD O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cccc2c1OCCO2 727244314 XRMJMSALPWTQAJ-UHFFFAOYSA-N 430.463 4.235 10 20 IICD CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)NCc1ccc(N(C)C)cc1 727839776 DQFAGFZUIUQUOS-HSZRJFAPSA-N 435.568 4.266 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2c(c1)CC(=O)N2C 728409000 MQGSOGWQBGXURX-INIZCTEOSA-N 441.491 4.437 10 20 IICD COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(Cl)c1OC 730434241 MWFXNOLKKLSYPR-NTEUORMPSA-N 435.910 4.461 10 20 IICD CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730748847 DDVFQUVDAURCMA-UHFFFAOYSA-N 436.577 4.437 10 20 IICD O=C1C[C@@H](N2CC[C@H](N3CCCCC3)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 730817355 QIYMITIRRYCFKY-XZOQPEGZSA-N 431.540 4.294 10 20 IICD CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)CC1 731049973 YVMNUXPTMMZPTP-UHFFFAOYSA-N 440.632 4.293 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 731283164 BAWFLWXWVKANJU-UHFFFAOYSA-N 445.007 4.180 10 20 IICD CC(C)[C@@H](NC(=O)CN(Cc1ccccc1O)C1CCCC1)c1ccc2c(c1)OCCO2 731845678 GRIUDXHPDYQDFZ-AREMUKBSSA-N 438.568 4.422 10 20 IICD O=C(NCCc1cccc(F)c1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 732828824 WWUDJQSCHDJXPU-UHFFFAOYSA-N 425.426 4.077 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733850260 FOCANGRVBGAFKI-FQEVSTJZSA-N 448.489 4.108 10 20 IICD COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2ccc(N(C)C)cc2C)cc1OC 734471314 MMZSAJSMMASMFR-UHFFFAOYSA-N 447.535 4.261 10 20 IICD O=C(c1csc(Cc2ccc(F)cc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735516718 XNRKQRLGBAKZHV-IBGZPJMESA-N 426.513 4.400 10 20 IICD CCN(CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)OC(C)(C)C 737277297 UKJJKEHNESCBLH-UHFFFAOYSA-N 439.516 4.414 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[S@@](=O)Cc2ccccc2)cc1 741421132 RYXNPZMQXSOCKA-WJOKGBTCSA-N 439.581 4.006 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ncnc5ccsc45)CC3)c2C)cc1 741706411 UZHFTPARLSGPOG-UHFFFAOYSA-N 447.564 4.070 10 20 IICD Cc1ccc(-c2ocnc2C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 741906531 JXOZYGYKZMGARY-UHFFFAOYSA-N 445.441 4.435 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)NC(=O)OC(C)(C)C)cc1 742751692 VTUBFWIIFWOLFG-MRXNPFEDSA-N 441.359 4.383 10 20 IICD COc1cc(C)sc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753077 IUJRXXNKBLBJQD-QGZVFWFLSA-N 433.574 4.127 10 20 IICD CCCNC(=O)c1ccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)cc1 743113633 FEPIEPVVELUTPI-UHFFFAOYSA-N 434.334 4.349 10 20 IICD O=C(NC[C@H]1CCN(c2ccccc2)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743550567 CJRSFVACBRKZBS-MOPGFXCFSA-N 444.526 4.083 10 20 IICD CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 745808033 JRZUQXOCCAZJSQ-JOCHJYFZSA-N 426.580 4.130 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 745824083 ZQVZJRDABNSOES-HXUWFJFHSA-N 446.389 4.351 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N=c2cc[nH]cc2)cc1 746312918 CTXUQHKTYUHOSL-HXUWFJFHSA-N 438.478 4.247 10 20 IICD CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 746776565 GUATUJQNKMUKPU-LEWJYISDSA-N 431.964 4.039 10 20 IICD CCN(CCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 748460164 LAFUAWHQGOOEBF-UHFFFAOYSA-N 427.389 4.026 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)oc2ccc(Br)cc12 755083579 DHHKNIBBCUYPEY-UHFFFAOYSA-N 429.314 4.202 10 20 IICD C[C@@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 756515046 BSAXYOSYAAUBSA-KUHUBIRLSA-N 439.434 4.043 10 20 IICD Cc1oc2ccccc2c1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 758507949 SXYUPJQHDZBDRA-UHFFFAOYSA-N 431.515 4.287 10 20 IICD CCN(CC1CCN(C(=O)NCCCSc2nccs2)CC1)C(=O)OC(C)(C)C 759588834 CZZIAOGGCCCCIC-UHFFFAOYSA-N 442.651 4.304 10 20 IICD O=C(CCCc1cccc(Br)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 760680093 NIEQNLLDUJLKNP-UHFFFAOYSA-N 449.364 4.188 10 20 IICD Cc1ccc(F)cc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1 761623123 YQXVXIHIQFZGIQ-UHFFFAOYSA-N 431.470 4.419 10 20 IICD Cc1cc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1 767211729 LKHQTMIKZRUWPH-UHFFFAOYSA-N 446.912 4.102 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)CC2)cc1 768324589 CNASINFPHKDWNJ-JOCHJYFZSA-N 429.948 4.101 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(C)n1-c1ccccn1 772341726 KCZMFBKSLCOYRZ-GOSISDBHSA-N 442.441 4.043 10 20 IICD CCCc1c(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cnn1-c1cccc(C)c1 773656752 BDSPQGTUMNFYNP-UHFFFAOYSA-N 434.540 4.216 10 20 IICD Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773847794 OVCCDEIKOJSTMQ-GFCCVEGCSA-N 438.753 4.293 10 20 IICD Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1-c1ccc(F)cc1 776900205 QBEOQWXKVQQBTG-UHFFFAOYSA-N 444.457 4.320 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 777740406 AGQFSRYFLRSIIB-GOTSBHOMSA-N 434.584 4.038 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 777828168 IXNJQWFTASRSHM-UHFFFAOYSA-N 448.903 4.208 10 20 IICD CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 778272000 LOAILIAASOKTHK-KRWDZBQOSA-N 441.483 4.390 10 20 IICD COc1ccc(Cn2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC)c1 779468241 SAUKYXQRVGDBSF-UHFFFAOYSA-N 449.555 4.211 10 20 IICD Cc1noc(C2(C)CCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)n1 781376670 SOQJAGZYPXCQCC-UHFFFAOYSA-N 425.577 4.410 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cc(C3CCCC3)nn2C)cc1)C1CCCCC1 781966815 YFAYWKVOPIIAES-UHFFFAOYSA-N 437.588 4.102 10 20 IICD COCCCS(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 782801602 KMYXZEQKJZXDNY-UHFFFAOYSA-N 447.601 4.005 10 20 IICD Cc1cc(-c2ncccc2NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 782895939 ASKJCYWCWPJSSR-GOSISDBHSA-N 449.580 4.142 10 20 IICD C[C@H]1CN(c2ccc(CN[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1 783504357 JWQWEWBXKIYRIK-NSHGMRRFSA-N 435.584 4.319 10 20 IICD CC(C)[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1 788957456 LUCSPAUUPDWSTP-FGZHOGPDSA-N 447.526 4.314 10 20 IICD CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cn1 790082412 LMLTXPFJIBDDBL-UHFFFAOYSA-N 441.329 4.140 10 20 IICD Cc1ccc(CN(Cc2ccc(S(C)(=O)=O)cc2)c2ccc3c(c2)OCCO3)s1 792870660 JDWLWYKNEGSHLB-UHFFFAOYSA-N 429.563 4.438 10 20 IICD CC[C@H](Nc1cc(CS(C)(=O)=O)ccc1OC)c1cc(Br)ccc1O 797037419 AXZLCFNHLSMXIX-HNNXBMFYSA-N 428.348 4.271 10 20 IICD COc1ncc(/C=C\C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cn1 799505862 QTUUHXPSFOEOSV-DJWKRKHSSA-N 443.276 4.028 10 20 IICD O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N(Cc1ccccc1O)C[C@H]1CCCO1 800564031 WNRFMTIANWGVIN-GOSISDBHSA-N 449.473 4.483 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 801549844 CYNUKZRLEMUHPG-UHFFFAOYSA-N 436.549 4.004 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)[C@@H]3c3cccs3)cc2F)C[C@@H](C)O1 805839852 IRHONWHQCXHZBT-QZMQVMSPSA-N 445.604 4.200 10 20 IICD CCCn1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)c2ccccc2c1=O 812218841 VGKIZYYEHLZPSD-UHFFFAOYSA-N 446.555 4.063 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn2c(Br)cnc2s1 814825481 HMGQJZPQMVGLLF-UHFFFAOYSA-N 433.375 4.421 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc3c(F)ccc(F)c3c2)cc1 815155236 YYDCJDKMBDMJCM-LJQANCHMSA-N 425.479 4.400 10 20 IICD COc1cc(O)c(CN2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 816633410 AYOJMMGMZPVOJA-ZWKOTPCHSA-N 434.577 4.269 10 20 IICD C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 857758795 SETPFRMAYHBLNY-NHCUHLMSSA-N 431.580 4.374 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)CC2)cc1 915338394 NEDMNTJUMWYFFZ-UHFFFAOYSA-N 436.434 4.027 10 20 IICD Cc1cc(N(C)C)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916632437 VCFISHPPBDLNIR-UHFFFAOYSA-N 436.478 4.238 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccc(F)cc3Cl)cc2F)C[C@H](C)O1 917709048 KYONIPBFBVDROH-GJZGRUSLSA-N 438.902 4.317 10 20 IICD O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(OCC2CCCCC2)cc1 917758810 DVHMIVUNNWQWFE-UHFFFAOYSA-N 430.570 4.283 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3SCc3ccco3)cc2)C1 917833058 LOAUXDNCUZBIIQ-IBGZPJMESA-N 449.576 4.204 10 20 IICD Cc1cc(C)n(-c2ccc(CNC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cn2)n1 918011033 NFYXOBBHPLDUFZ-UHFFFAOYSA-N 442.567 4.334 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H](C)c3ccc(C)cc3C)CC2)cc1 918057866 CRDNNHKVXOPCSE-JOCHJYFZSA-N 438.616 4.227 10 20 IICD CCOC(=O)c1c(NC(=O)CCCN2C(=O)CCC2=O)sc(C)c1-c1ccc(C)cc1 918557028 SNCTXVWCSIPJMG-UHFFFAOYSA-N 442.537 4.076 10 20 IICD C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1)c1ccccc1 919971212 LGVMDLYVDRTDDT-SFHVURJKSA-N 449.526 4.252 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920871006 JJEHGBJXKDGMDZ-AVRDEDQJSA-N 439.556 4.148 10 20 IICD CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(NC(C)=O)c(F)c3)n2)cc1 1116863946 UCHZVAXZDSCYRQ-UHFFFAOYSA-N 437.543 4.430 10 20 IICD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3csc4ccccc34)n2)cc1 1327853692 HPJASOCYKGICLY-UHFFFAOYSA-N 443.575 4.462 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@]2(F)Cl)C3)cc1 1800514844 DLFCDKKGKAUJPY-YPOHYTPRSA-N 443.950 4.270 10 20 IICD O=C(CC1CCCC1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708816 PZEBXJMLVPWFIC-ZDUSSCGKSA-N 449.960 4.014 10 20 IICD Cc1cc(C(=O)COC(=O)c2cccc(C[S@](C)=O)c2)c(C)n1-c1cccc(F)c1 10780575 SHCUCAZJXSCUKE-SSEXGKCCSA-N 427.497 4.151 10 20 IICD OCC1CCN(c2ccc(CNCc3csc(-c4ccc5c(c4)OCO5)n3)cc2)CC1 238177182 IYQXDWKAUHGNAN-UHFFFAOYSA-N 437.565 4.037 10 20 IICD COc1ccc2c(C)cc3nnc(SCC(=O)N(C)Cc4ccc(N(C)C)cc4)n3c2c1 302697623 JQIMHXNZYRDGEB-UHFFFAOYSA-N 449.580 4.016 10 20 IICD Cc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n2nc(C(F)(F)F)nc2n1 726594296 OHJKOAMFJLXUHF-UHFFFAOYSA-N 442.392 4.134 10 20 IICD COc1ccc(N2CCC(NC(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)CC2)cc1 726712741 AYJQSWDFUMMZAZ-UHFFFAOYSA-N 447.583 4.328 10 20 IICD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 727592307 DJSRWHMHKSQORK-UHFFFAOYSA-N 438.597 4.106 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 727606139 CUJSFFDUJZMMLL-UHFFFAOYSA-N 436.600 4.287 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 727946570 JYSHYUCNFKFJDT-IBGZPJMESA-N 436.600 4.148 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(Br)c3)cc2F)CC1 730132321 BOMZSJMRBQQQIQ-UHFFFAOYSA-N 435.341 4.052 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 730382523 GAJWMMVJVSJXRK-UHFFFAOYSA-N 434.418 4.347 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1F 731346638 NELYTGKDHRXQCM-UHFFFAOYSA-N 441.528 4.383 10 20 IICD Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 732887359 IVDLANLUDCYKBD-QPPBQGQZSA-N 436.600 4.283 10 20 IICD COC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)o1 734130222 ASPFYSXMAHCPQH-UHFFFAOYSA-N 431.286 4.166 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Oc3cnccn3)c2)cc1 736553925 IEZYLRJFMMPXTG-HSZRJFAPSA-N 432.524 4.156 10 20 IICD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C 736567190 IGLUNTBCGWSMLG-UHFFFAOYSA-N 431.536 4.436 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 737117389 PLHJMRMMLFHUSE-UHFFFAOYSA-N 440.544 4.087 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)cc21 737381064 XTCPFIQKPQZYSU-UHFFFAOYSA-N 431.539 4.120 10 20 IICD COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cc(OC)ccc1O 741282768 MDYJYTBJBYZGSI-ZBFHGGJFSA-N 436.346 4.236 10 20 IICD CN(c1ccc(CNC(=O)Cn2c(S)nnc2-c2cccs2)cc1)C1CCCCC1 742417409 XEDMURGBEGKVNL-UHFFFAOYSA-N 441.626 4.381 10 20 IICD COc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1O[C@H](C)C2 742804705 ARNBRHSLTLZMIM-PBHICJAKSA-N 432.467 4.019 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(=O)N(C)C)ccc1C 743098520 RVBSREVZEZYYOA-UHFFFAOYSA-N 434.334 4.219 10 20 IICD CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)c1 743181970 WOZQJELYZGGVSF-UHFFFAOYSA-N 436.553 4.145 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(N2CCCC2=O)c1 745523799 QMVPVTNHCHJZAI-UHFFFAOYSA-N 446.345 4.013 10 20 IICD CC(C)[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc(C2CC2)no1 745798755 KMTMYRCCKRQVAX-QAPCUYQASA-N 449.502 4.214 10 20 IICD COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)c1ccccc1 746215659 KMSJJBZGYQZCGG-SLFFLAALSA-N 443.563 4.359 10 20 IICD Cc1cc(CC(=O)Nc2nc(CN3CCOCC3)cs2)c(C)n1-c1ccc(Cl)cc1 747577703 HTSLYIVVFGQNBC-UHFFFAOYSA-N 444.988 4.217 10 20 IICD O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)c1ccoc1 748995771 VMTVBXQMZGYPPU-NRFANRHFSA-N 435.480 4.451 10 20 IICD COc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)n[nH]2)c(OC)c1 749268209 XQWSBLDLEROXTN-UHFFFAOYSA-N 431.496 4.457 10 20 IICD CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1 749350065 CBKUDJXOWJROAF-KNQAVFIVSA-N 427.976 4.098 10 20 IICD COC(=O)c1c(Br)ccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1C 753228155 IIYLBECCDFNBAH-UHFFFAOYSA-N 434.334 4.240 10 20 IICD Cc1ccnc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)n1 753901152 GAKLRPNMEZXAMQ-OAQYLSRUSA-N 434.496 4.496 10 20 IICD COc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(OC)c1OC 754545049 TVWYCKDOTWTVIW-UHFFFAOYSA-N 445.471 4.059 10 20 IICD C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(Br)c(F)cc1O 756461786 VSRSHHIVYCPRSO-BLVKFPJESA-N 437.309 4.262 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 765231286 XMLMAAJLXYZIOE-RFZFDZAKSA-N 441.547 4.159 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)ccc1OC(F)F 765978040 BSGZUOPJQRRGRG-CQSZACIVSA-N 444.931 4.027 10 20 IICD O=C(CN(Cc1cc2c(cc1O)OCO2)Cc1ccccc1F)Nc1ccccc1F 768914225 DFEHXJVVHBZACG-UHFFFAOYSA-N 426.419 4.040 10 20 IICD CC1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)Cc2ccccc2C1 769154939 YCNCRALQGJTIMR-LDADJPATSA-N 442.631 4.403 10 20 IICD C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C1CC1 772116346 MYOTUOUYJILDAS-INIZCTEOSA-N 428.558 4.206 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1)c1ccc(N(C)C)cc1 773855818 HEAXILXXEXICDT-HXUWFJFHSA-N 445.563 4.328 10 20 IICD C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1 774362563 AWXMGCGSRMPHBW-MRXNPFEDSA-N 436.533 4.249 10 20 IICD C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 780045484 AFJQWKJXHGVORP-KRWDZBQOSA-N 435.490 4.315 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(NC(N)=O)cc1 783268419 SATJHEJTFSXUIJ-HNNXBMFYSA-N 430.468 4.409 10 20 IICD COC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1C 783482873 LWXLDKMDEYOYSS-KRWDZBQOSA-N 431.492 4.097 10 20 IICD COC(=O)c1scc(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483213 PENOXKKITZOYLO-HNNXBMFYSA-N 437.521 4.158 10 20 IICD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 783483244 PTXVTKVEDXHNLI-INIZCTEOSA-N 449.482 4.318 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1cccc(Br)c1)C1CCOCC1 787400996 SOPCQDUVAZHXHA-FNORWQNLSA-N 432.314 4.081 10 20 IICD Cc1cc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1-c1cccc(Br)c1 791287020 KHFRBVNWCWRDDO-UHFFFAOYSA-N 437.301 4.085 10 20 IICD COc1ccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c(O)c1 794378763 DDHBDCUZJQIFLS-UHFFFAOYSA-N 439.356 4.207 10 20 IICD CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 799187177 NUVHDPBZXYLXEV-UHFFFAOYSA-N 428.539 4.151 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2Cl)C1 800049191 HFOGJARYJLUNAL-MRXNPFEDSA-N 439.943 4.160 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)c2C)c1 805273194 ILLQBNHVYLTICP-GOSISDBHSA-N 435.490 4.466 10 20 IICD C[C@@H](CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 808776579 XQAQCWLIUBPWEJ-INIZCTEOSA-N 435.490 4.040 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCCN(Cc2ccccc2)C1 811844617 BXTLZGHJOGXBOH-LJQANCHMSA-N 441.959 4.112 10 20 IICD Cc1cc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)nc(N2CCCC2)n1 813884909 IRLPVAFZTRUYJI-LBPRGKRZSA-N 425.758 4.358 10 20 IICD O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 815022016 WULMFYWLGSZYSX-INIZCTEOSA-N 446.466 4.314 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Br)cc1F 916668051 CCBAJOMPTBVUKJ-UHFFFAOYSA-N 436.325 4.119 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3F)[nH]n2)cc1 1821158800 KFKBDLFSZJCWSA-RZUBCFFCSA-N 449.530 4.481 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cccc(OCC(F)(F)F)c3)CC2)cc1 110465822 ZGTPGWAMYGTGDZ-UHFFFAOYSA-N 437.462 4.105 10 20 IICD COc1ccc(OCCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726565973 JKFCFQJSGOVHOI-UHFFFAOYSA-N 434.483 4.241 10 20 IICD O=C(COc1cccc(C(F)(F)F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566286 NETUNOPSSKMODQ-UHFFFAOYSA-N 444.400 4.471 10 20 IICD CCOc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 731016071 MEPSVBPWLVCOCW-UHFFFAOYSA-N 427.501 4.168 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 731281815 AHAVKBDTVWNBJN-UHFFFAOYSA-N 434.334 4.105 10 20 IICD CN(CCc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731682369 OVDKMXWXXXOYAV-UHFFFAOYSA-N 439.453 4.065 10 20 IICD O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1cc(O)cs1 732264176 CJWVWEITAOQZSI-LHHJGKSTSA-N 443.333 4.227 10 20 IICD CN(C)c1ccc(CN(C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C2CC2)cc1 732728892 BFBXLKBCVCBWJR-UHFFFAOYSA-N 430.574 4.039 10 20 IICD CN(C[C@H](O)COCc1ccccc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 732887085 LRODZYIJMMHLJU-VWLOTQADSA-N 439.600 4.175 10 20 IICD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCCSc3nccs3)CCCC2)c1 733880209 BHQVIBHNMMTTIP-UHFFFAOYSA-N 438.640 4.145 10 20 IICD CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 735519402 QXPSOSDOVBGYAL-UZLBHIALSA-N 428.554 4.039 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1F 737190497 LDMMPFXONXZVHA-UHFFFAOYSA-N 426.492 4.191 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 740453778 HSNBYIVWFPIQAG-UHFFFAOYSA-N 446.617 4.274 10 20 IICD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1 742189179 LXYHFXQCOGFEOK-UHFFFAOYSA-N 439.563 4.435 10 20 IICD O=C(COc1ccc(F)c(Cl)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742798928 DEVIDLSUCXHYEG-CYBMUJFWSA-N 428.838 4.245 10 20 IICD CN(c1ccc(CNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1)C1CCCCC1 743346836 XBGQOXGUEDUTFL-SFHVURJKSA-N 426.527 4.139 10 20 IICD CCCN(Cc1ccccc1O)C(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1 748042851 WQWDUVAVSJMFAX-UHFFFAOYSA-N 430.448 4.015 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccn(Cc4ccc(C)cc4)c3=O)CC2)cc1 754465783 NNNUKOXVDVGBNG-UHFFFAOYSA-N 446.551 4.004 10 20 IICD COCC(=O)Nc1cccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1 756378481 FPVWHMWAVZFBSD-NSHDSACASA-N 427.726 4.244 10 20 IICD C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cc(F)cc(F)c1O 756757740 DBHDIRSHAYELOH-LBPRGKRZSA-N 427.289 4.120 10 20 IICD COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc(OC(F)F)cc3)C1=O)OCO2 758818685 HZVVVMWBWMNFSO-FRKPEAEDSA-N 437.445 4.431 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(COCC(F)(F)F)cc1 760981074 UGULHTNZANCHIK-UHFFFAOYSA-N 442.821 4.089 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1SCc1ccc(C(N)=O)cc1 764894340 FLVLJLLNKXDEHW-UHFFFAOYSA-N 448.592 4.201 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nnn1-c1ccc(F)cc1 765125173 CQEIYYXZWHQZGI-IXDOHACOSA-N 441.526 4.318 10 20 IICD C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1 766163474 LZVGWLAPEQZTCB-OXQOHEQNSA-N 431.939 4.162 10 20 IICD COc1ccc2c(c1)CCCN2Cn1nc(CN2CCCC2)n(Cc2ccccc2)c1=S 766341150 ODRPVWDFBOCSST-UHFFFAOYSA-N 449.624 4.477 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4ccc(Br)cc43)cc2)C1 771381764 GWDUATSCEKYYCW-PGRDOPGGSA-N 442.401 4.318 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 771655760 ZAGNNUNQYGCMBN-UHFFFAOYSA-N 439.556 4.370 10 20 IICD C[C@@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1 775261502 VRCIERJIOUVZKN-RXAIFQJESA-N 427.397 4.288 10 20 IICD CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O 775555858 RKHNQNBYNVSADA-RTBURBONSA-N 437.367 4.210 10 20 IICD CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 776004786 YHURXLWKIIUDJB-YADARESESA-N 434.536 4.354 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 778620665 QMWBIIDSTVYQPG-NRFANRHFSA-N 427.495 4.237 10 20 IICD CC(C)(C)c1ccc2c(c1)CN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 781365442 NQHCOSGIVDKIDZ-UHFFFAOYSA-N 439.575 4.352 10 20 IICD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1 784058105 KYUMTEMESOHHEO-YVLHZVERSA-N 435.524 4.150 10 20 IICD COc1ccc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3Cl)SC2=S)cn1 790592723 VQRJPOCOWBOTSK-SXGWCWSVSA-N 442.953 4.394 10 20 IICD CC(=O)c1cc(F)cc(CN2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1O 791048377 ONLKCPGUBIPNJB-UHFFFAOYSA-N 439.409 4.102 10 20 IICD COc1ccc(C[C@H](NC(=O)NCc2ccc(OC)cc2O)c2ccc(OC)cc2)cc1 792787664 GPJVBEJBLWKKLR-QHCPKHFHSA-N 436.508 4.201 10 20 IICD COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c(O)c1 794379788 WBKPROXOHGINBB-UHFFFAOYSA-N 434.323 4.369 10 20 IICD Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 800636133 GATPEODWAMUFBE-AWEZNQCLSA-N 439.947 4.016 10 20 IICD CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1cccnc1 803676810 RKHDUCPCXBZYOG-XMMPIXPASA-N 436.600 4.023 10 20 IICD Cc1cc(-c2nnc(N3CCCN(c4nccs4)CC3)n2C)c(C)n1-c1ccccc1 809840214 QWQOIFQWOQZFKW-UHFFFAOYSA-N 433.585 4.063 10 20 IICD Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1C(F)(F)F 810048655 BBGARNRPBQXOAZ-MRXNPFEDSA-N 429.460 4.089 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C/c3cc4ccccc4o3)SC2=S)c1 814275426 XMEOFIUTIXBRSD-PDGQHHTCSA-N 444.559 4.089 10 20 IICD O=C(Cc1ccccc1)N1CCc2ccc(NCc3ccc(N4CCOCC4)cc3)cc21 815157234 NDOAXTSJPMEXSW-UHFFFAOYSA-N 427.548 4.267 10 20 IICD CC(=O)N(c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1)[C@H]1C[C@@H]1C 815594847 ZNMCFRZOLKOHPX-XDHUDOTRSA-N 448.567 4.192 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(Cc3ccccc3)nn2)cc1 818894485 LYHDYNRNZZOELJ-UHFFFAOYSA-N 441.535 4.248 10 20 IICD Cc1cc(C(=O)Cn2cnc3ncccc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 852350694 YGDFWUKAIOMLPT-UHFFFAOYSA-N 426.398 4.101 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCO4)SC2=S)c1 913517394 WROMZRYJGVYKHX-MFOYZWKCSA-N 446.937 4.475 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3csc(-c4ccccn4)n3)SC2=S)c1 915984916 NNLKXHBWCOMFEY-DHDCSXOGSA-N 425.516 4.309 10 20 IICD CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 916502684 UALOTTKAULYMNW-UHFFFAOYSA-N 428.583 4.162 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c2cccnc12 917850098 PCHCVPNAGMFAAJ-UHFFFAOYSA-N 425.491 4.060 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1[N+](=O)[O-] 917926226 SKMRAVNZXBJGPD-UHFFFAOYSA-N 434.455 4.044 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 918434210 KPVGSEZXQZEWIZ-UHFFFAOYSA-N 437.540 4.219 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)cc2)C1 918670914 CWGPDCSJSUAKBS-AWEZNQCLSA-N 445.350 4.106 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1 918743872 NRUNBAMZYPWNNQ-LBPRGKRZSA-N 447.607 4.358 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H]1CCc3c(Cl)cccc31)c2[N+](=O)[O-] 920012609 WPUATILWVYIMPP-IBGZPJMESA-N 446.846 4.441 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1 920237031 HJEDJACYHADFJN-OAQYLSRUSA-N 438.616 4.095 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ncccn4)cc3C)CC2)cc1 920873562 MPXQSVDECRCLGH-UHFFFAOYSA-N 433.512 4.330 10 20 IICD CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)s1 921234992 VZMWYIOMRSSWRP-UHFFFAOYSA-N 433.536 4.055 10 20 IICD Cn1cc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2)cn1 1116876583 AHMJOWITFOLCKZ-UHFFFAOYSA-N 430.474 4.232 10 20 IICD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 1320693350 ZRIHFNYOPJVLEQ-IBGZPJMESA-N 445.943 4.145 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1323295564 MQOJAEXMHWJESH-UHFFFAOYSA-N 444.535 4.302 10 20 IICD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncc(Cl)s3)c2C)cc1 1344430458 BRYRLEMNXTXRGP-UHFFFAOYSA-N 432.885 4.030 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3nccs3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790775863 RIQVUNFOAHDUGK-UHFFFAOYSA-N 443.912 4.269 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3F)n[nH]2)cc1 1820780053 JUTUEHHXSCYIAT-TUNNFDKTSA-N 449.530 4.481 10 20 IICD CC1(C)CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)C1 1822475309 JILPSXKLEHPPPA-INIZCTEOSA-N 446.935 4.216 10 20 IICD CC(=O)N[C@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)c1cccs1 11942811 HTJLYEKEOAZIHZ-OAQYLSRUSA-N 438.549 4.457 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccc(Cl)cn1 14800793 XLGZNUOYKYPEQP-UHFFFAOYSA-N 430.917 4.120 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 19355466 PRGPPKGJWPHMOM-UHFFFAOYSA-N 427.599 4.158 10 20 IICD CN1CCCc2cc(CNC(=O)N(CCCO)Cc3ccc(Cl)c(Cl)c3)ccc21 303228078 XFLOEAHWOBQQMU-UHFFFAOYSA-N 436.383 4.470 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726272318 HVIUNFAWEWUWPU-UYAOXDASSA-N 432.609 4.320 10 20 IICD C[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 732063537 UORKOANZAMVMSE-FCHUYYIVSA-N 435.612 4.044 10 20 IICD O=C(NCCCSc1nccs1)c1cc(Cl)ccc1I 733974203 JOSZPYOWUPCEPH-UHFFFAOYSA-N 438.743 4.313 10 20 IICD CCOc1cc(Br)c(CC(=O)NCc2ccc(N(C)C)cc2C)cc1OCC 734403077 UZNZCZFRWOXRMR-UHFFFAOYSA-N 449.389 4.480 10 20 IICD COc1cc(N(C)CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1OC 741795764 PGHFUPGJSBZAPV-JOCHJYFZSA-N 444.528 4.255 10 20 IICD CC1=NN(c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2)CC1 742805850 OQSMQDKTHTXJMT-SFHVURJKSA-N 428.483 4.273 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(Oc4ccccn4)c3)cc2F)CC1 743240345 ZOHLBQPQFJWGLD-UHFFFAOYSA-N 449.530 4.477 10 20 IICD O=C(NCCc1ccc(F)cc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743605879 FUWHMPKTUOFCCF-MRXNPFEDSA-N 425.426 4.077 10 20 IICD COc1cccc(-c2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)n[nH]2)c1 765383872 DOSCIKIJKLYLLL-UHFFFAOYSA-N 442.466 4.086 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2cccc(Br)c2O)cc1 765735027 CEGLNEHCAXBOLJ-UHFFFAOYSA-N 435.318 4.361 10 20 IICD C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 765874101 FKRCMJNKZWUAHN-OSPHWJPCSA-N 425.548 4.300 10 20 IICD Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768915335 KFQTUIWSLDUQQF-OAQYLSRUSA-N 447.023 4.228 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 771577146 DDBWITWLUKSNAS-UHFFFAOYSA-N 443.297 4.407 10 20 IICD CC(C)(C)OC(=O)Nc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 771858041 GNPQJIMVUYEERO-UHFFFAOYSA-N 431.876 4.361 10 20 IICD Cc1conc1NC(=O)C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 772473420 FPSLXLJHEZRQDM-KRWDZBQOSA-N 446.429 4.233 10 20 IICD COc1cccc(OC)c1OC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 773616448 KRKPEQZYLPXBMT-QGZVFWFLSA-N 427.545 4.084 10 20 IICD COc1cc(O)c(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 775653816 BZTLRUAAZVUVLG-MRXNPFEDSA-N 425.312 4.319 10 20 IICD C[C@H](c1ccccc1)N(CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O 776007035 DYIFIKADONKWOG-LJQANCHMSA-N 425.550 4.438 10 20 IICD O=C(NCc1ccc(O)c(O)c1)[C@H](Oc1ccccc1Br)c1ccccc1 778920061 VALPIIUFGBAMJK-HXUWFJFHSA-N 428.282 4.297 10 20 IICD CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 779337107 WYIFMDRBNABLLI-HXOBKFHXSA-N 445.991 4.124 10 20 IICD COc1ccc(N2CCN(CCN[C@@H](c3cccnc3)c3cc4ccccc4o3)CC2)cc1 779395394 PDRSNKPPFAWISK-MHZLTWQESA-N 442.563 4.338 10 20 IICD COc1cc(OC)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Br 779504871 IMFUQUJOEPGMFE-UHFFFAOYSA-N 432.318 4.164 10 20 IICD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 780903312 VRWUMWUMCNSHMR-YADARESESA-N 426.513 4.161 10 20 IICD COc1cc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1OC 783485177 HJRAZUBAFJWRFP-OAHLLOKOSA-N 437.471 4.158 10 20 IICD CC[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N(CC)CC)cc3)sc2C1 789369437 AVAUZPHEXIXTBE-INIZCTEOSA-N 428.602 4.101 10 20 IICD CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)c1 794859572 WZRWOHHKEJIADS-UNOMPAQXSA-N 438.509 4.376 10 20 IICD COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1NC(=O)C1CCCCC1 797628452 YLUCSQNNBXFOMQ-OAHLLOKOSA-N 441.528 4.378 10 20 IICD CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)nc2Cl)nc1-c1ccccc1 800925541 DLBPHXALMIKJCW-UHFFFAOYSA-N 437.930 4.144 10 20 IICD CCOCCOc1cc(C)ccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O 805191772 BEWQEMMSKHWYOE-UHFFFAOYSA-N 427.328 4.422 10 20 IICD CN(Cc1ccccc1O)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCO1 812438217 LQTOAFYMPBHMHG-HXUWFJFHSA-N 442.947 4.422 10 20 IICD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c([N+](=O)[O-])c1 817954514 YIDFJAYIZZLYAO-UHFFFAOYSA-N 431.904 4.243 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cccn4)nc3)c2C)c1 825836167 UBQSJOYHQGQAND-UHFFFAOYSA-N 446.532 4.436 10 20 IICD CC(C)Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C(F)F)n1 857455753 HRKDUIQUKOTVBO-CQSZACIVSA-N 442.457 4.477 10 20 IICD COc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 914454881 FKEWGLGZVQARLO-UHFFFAOYSA-N 430.508 4.383 10 20 IICD Cc1cc(-c2csc(NCc3ccccc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 916221975 MUCSKNZRJDDGPX-UHFFFAOYSA-N 438.578 4.477 10 20 IICD O=C(NCc1cc(Br)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 916568364 SMRVOMGHABUSKW-QGZVFWFLSA-N 437.309 4.185 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2ncsc2c1 916632189 QHRMONFLBHUORW-UHFFFAOYSA-N 436.459 4.473 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)C(F)F)cc3)cc2F)C[C@@H](C)O1 917087021 SYCCFJNGPLHYIR-ZIAGYGMSSA-N 428.476 4.048 10 20 IICD CN(C)c1ccc(CN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)cc1 918032236 JGCVLBTYXNENQS-UHFFFAOYSA-N 434.462 4.241 10 20 IICD Cc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)n1-c1ccccn1 919076945 OIINQGYIMQXEHY-UHFFFAOYSA-N 449.404 4.120 10 20 IICD CC(C)(C)c1ncc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 920747704 TZKSNGCJWUSFTR-XNTDXEJSSA-N 446.623 4.456 10 20 IICD Cc1cc(C(=O)COC(=O)c2ncoc2[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)CCC2 1318544078 JXLVRBMJAFUPAR-QFIPXVFZSA-N 434.492 4.462 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccnc3[C@H](O)c3cccnc3)c2C)cc1 1324146972 FXJMNJCFTFBUGH-XMMPIXPASA-N 430.508 4.049 10 20 IICD COCCn1c(C)c(C)c2cc(-c3nnc(-c4cccc(S(C)(=O)=O)c4)o3)ccc21 1345855851 RQUBTOBYFRFEJV-UHFFFAOYSA-N 425.510 4.025 10 20 IICD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)sc1C 1845398931 SYJKCSPEGYZSHG-UHFFFAOYSA-N 448.592 4.298 10 20 IICD Cc1cc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)c(C)n1-c1ccc(F)cc1 14911011 KSQPWEQRWSVGSN-UHFFFAOYSA-N 447.499 4.355 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(SCC(N)=O)s3)c2C)cc1C 24791015 DBVHPLFEMGBOTC-UHFFFAOYSA-N 446.623 4.115 10 20 IICD COc1ccc(N2CCCN(C(=O)Cc3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 195709878 FRHSTKVTCRMTHE-UHFFFAOYSA-N 449.551 4.160 10 20 IICD CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 727137841 ZEOLTIDAAMLBBU-OAQYLSRUSA-N 441.597 4.122 10 20 IICD C[C@@H](CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 727476268 SGQYYPCSQVPOOS-KRWDZBQOSA-N 435.490 4.487 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccc(N4CCCC4=O)cc3)ccc21 728637970 UVMOTIFQPLFFOO-UHFFFAOYSA-N 448.519 4.071 10 20 IICD CCN1CCN(c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2F)CC1 730108295 LLBFLUWLVFKSHK-UHFFFAOYSA-N 438.503 4.426 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CCS[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 735581879 KROWJAOJPVOYOD-IXFSTUDKSA-N 443.588 4.439 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(Nc3ccccn3)n2)cc1 736073215 CXXNGQRMDIJOAU-IBGZPJMESA-N 437.569 4.169 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)cc1F 741095372 BSIJKIZHXMVHMR-UHFFFAOYSA-N 440.563 4.307 10 20 IICD CC[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)CCS1 742923451 KUUBIEPCTLTOBV-SFHVURJKSA-N 430.595 4.394 10 20 IICD O=C(Nc1cccc(Cn2cccn2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743090440 RHSFETWUSDYSBO-LJQANCHMSA-N 441.482 4.323 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)cc1)C1CCCCC1 743413101 AKVSGWLQVBUVAV-UHFFFAOYSA-N 449.599 4.096 10 20 IICD Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 743554851 MPARJPLZRGPCSC-JXQFQVJHSA-N 441.547 4.031 10 20 IICD CCCc1ncc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 745266622 QOFGHNWPDIHFHR-CYBMUJFWSA-N 448.500 4.055 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 745846978 HXFYZIJHEYLVMM-UHFFFAOYSA-N 444.885 4.430 10 20 IICD CN(CCOc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745905618 PDVSKFQINAFYFF-KRWDZBQOSA-N 437.462 4.116 10 20 IICD CC(C)Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n(C)n1 747401978 VGNKNCKJOXKYAP-FOWTUZBSSA-N 448.639 4.300 10 20 IICD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 748443999 QHEZEYHZOCWLFQ-NRFANRHFSA-N 437.540 4.150 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 752713162 YIFLEGFRUMOTCR-UHFFFAOYSA-N 429.517 4.001 10 20 IICD Cc1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c(C)n1-c1ccc(F)cc1 753701849 WZCWIHMNJNZHEY-FPOVZHCZSA-N 428.529 4.259 10 20 IICD CC[C@@H](N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1 754324983 UOMGEQOJEYUZFP-KBXCAEBGSA-N 433.533 4.295 10 20 IICD CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1 754627336 CUZFCRUFSKGNBM-RAXLEYEMSA-N 435.615 4.146 10 20 IICD C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(Br)c1O 757613232 PPAYAMZKTZPQJN-VIFPVBQESA-N 440.135 4.376 10 20 IICD CN(CCOc1ccc(Br)cc1)C(=O)NCCCSc1nccs1 759588783 AHIAMHJCRMYPPH-UHFFFAOYSA-N 430.393 4.108 10 20 IICD CC[C@@H](NCc1ccc(S(=O)(=O)CCOC)cc1)c1ccc(Cl)c(Cl)c1O 760020081 UMFYRIYZQUQLAN-QGZVFWFLSA-N 432.369 4.360 10 20 IICD C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 764901023 LUCMTIJIGAEPJA-LJQANCHMSA-N 439.581 4.209 10 20 IICD CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 765288175 VLOMGJJEHXXKCR-KRWDZBQOSA-N 428.552 4.168 10 20 IICD Cc1cc(C(=O)CN2CCC[C@H]2c2nncn2C)c(C)n1-c1cccc(Br)c1 767768760 NLAAICGGWYTZBK-IBGZPJMESA-N 442.361 4.005 10 20 IICD CCOc1c(Cl)cc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1Cl 768016922 SPAGSZNQWGOURQ-UHFFFAOYSA-N 438.355 4.445 10 20 IICD CSc1cnn(-c2ccccc2)c1NC(=O)NCc1ccc(N2CCSCC2)cc1 768993843 PWKGJPFISIZNRN-UHFFFAOYSA-N 439.610 4.469 10 20 IICD C[C@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 769398446 ISMNUSODQGCXRO-AWEZNQCLSA-N 429.369 4.011 10 20 IICD CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)cc3)SC2=S)cc1 771512541 DXQFOGCIVMWUFN-PGMHBOJBSA-N 439.606 4.243 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C(=O)CC)C2)sc(C)c1-c1ccc(C)cc1 772971987 ORSNGPLXEQHBRN-QGZVFWFLSA-N 428.554 4.406 10 20 IICD C[C@@H](NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 777120459 AWPGRAKCJXFBHP-VLIAUNLRSA-N 446.872 4.416 10 20 IICD Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c(C)n1-c1ccc(F)cc1 777835808 CZMPRPBRINMSQM-QFIPXVFZSA-N 435.499 4.082 10 20 IICD CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)cc2C1 783483103 NEDDLFJQAXLXIU-MZNJEOGPSA-N 429.520 4.115 10 20 IICD CC(C)(C)n1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(-c2ccc(F)cc2F)n1 783881656 RVUMGWZTIWEROD-UHFFFAOYSA-N 430.407 4.034 10 20 IICD COc1ccc(N2CCC(NC(=O)NCc3cc(Br)ccc3C)CC2)cc1 784119944 BVOWEVXAURRYCG-UHFFFAOYSA-N 432.362 4.234 10 20 IICD COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 790336472 QHFXUXZDLTWLMP-UHFFFAOYSA-N 438.977 4.168 10 20 IICD COc1ccc(N2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3C)CC2)cc1F 800728640 XKCMPPDDVJUNNO-SFHVURJKSA-N 439.535 4.046 10 20 IICD CNC(=O)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 807209257 GNSMMBDCBJHTFN-IEBWSBKVSA-N 435.012 4.167 10 20 IICD O=C(Nc1cccc(C2OCCO2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 808852840 ZAUIZIHCFHOEBY-KRWDZBQOSA-N 433.455 4.124 10 20 IICD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)[C@H]2C1 809194964 GUDHAIFPHVENOS-TZYHBYERSA-N 427.976 4.053 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccc4ccc(Br)cc4n3)cc2)CC1 811836489 XTNVGWQLRIUEQS-UHFFFAOYSA-N 439.357 4.278 10 20 IICD Cc1sc(NC(=O)[C@H]2CCc3nnn(C)c3C2)c(C(=O)OC(C)C)c1-c1ccccc1 812874457 GEPUXDLAKDDMCH-INIZCTEOSA-N 438.553 4.161 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CC2(CCOCC2)[C@H]1C1CC1 816656513 VEGOJEPNBUCIJK-MRXNPFEDSA-N 431.168 4.308 10 20 IICD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 916107470 BXPNASPJCBVSHB-UHFFFAOYSA-N 444.538 4.153 10 20 IICD CCOc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 916671081 FZUCIUQRFUFTEZ-HOTGVXAUSA-N 431.508 4.168 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 916711141 QRAOZIUWCLXSKT-UHFFFAOYSA-N 438.597 4.188 10 20 IICD COc1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc4cccnc34)n2)cc1OC 917845066 NAGUFNIQCCNRCF-UHFFFAOYSA-N 441.534 4.485 10 20 IICD Cc1cc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c(C)n1-c1cccc(C(C)C)c1 918235784 VEQLJHRYHIKICX-UHFFFAOYSA-N 425.554 4.258 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1 918434395 NSSGAUNWRQXUET-UHFFFAOYSA-N 436.600 4.020 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cc2)C1 918672834 LZCFMIQFPFJQPE-CQSZACIVSA-N 445.350 4.106 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cnc3ccccc32)cc1 919971475 ZUIXMLTUFAIAED-UHFFFAOYSA-N 444.510 4.056 10 20 IICD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)N3CCc4sccc4C3)C(C)C)sc2n1 924236110 FQNBOCXLJVIARN-SFHVURJKSA-N 443.594 4.323 10 20 IICD CC(C)N(CCc1ccccc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1317830783 ZZRFPSLBZVNRBE-UHFFFAOYSA-N 442.471 4.464 10 20 IICD Cc1nsc(N2CCCN(C(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)CC2)n1 1323314786 GRNLTDUKLGKYQX-UHFFFAOYSA-N 429.977 4.260 10 20 IICD CCN(CC)c1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCCO2)cc1 1344744286 MKAXCLYTPGDYKN-HSZRJFAPSA-N 434.588 4.392 10 20 IICD Cc1ocnc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1789894037 XKZBOVMYLCOASM-UHFFFAOYSA-N 441.871 4.109 10 20 IICD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1800718716 ACFZHGJYMKGXLL-FZDIXFNVSA-N 442.943 4.197 10 20 IICD Cc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c3c2CCC3)cc1 731856700 QRTRHCRRIISPRQ-OAQYLSRUSA-N 431.536 4.196 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2nncn2C(C)C)cc1 732114322 CJLVVNOFMUYODF-UHFFFAOYSA-N 439.585 4.259 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN2C(=O)CCc3ccccc32)cc1 732114670 KRCBHURZNMGZRS-UHFFFAOYSA-N 443.547 4.274 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1C[C@@H]1c1c(F)cccc1F 734866274 ABBZTMYLEQEUNU-LPHOPBHVSA-N 437.437 4.390 10 20 IICD CCO[C@@H](C)c1nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)cs1 736945787 SBARLVYKKJWPJW-KRWDZBQOSA-N 446.594 4.446 10 20 IICD Cc1ccccc1C1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1 742749313 FVECHALFRDIJLI-JOCHJYFZSA-N 437.584 4.475 10 20 IICD O=C(NCCc1ccc(F)cc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743605877 FUWHMPKTUOFCCF-INIZCTEOSA-N 425.426 4.077 10 20 IICD CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)c1ccccc1 745648075 OIVGUTOUAABTIB-QHCPKHFHSA-N 427.564 4.342 10 20 IICD C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1nc(C(C)(C)C)no1 745916812 CJAMPMCNRKJHKB-MRXNPFEDSA-N 425.533 4.499 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NC[C@H]1Cc2ccccc2O1 748033752 PGALHBJGMJHBKN-QGZVFWFLSA-N 447.482 4.324 10 20 IICD CC(C)n1c([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc21 749365931 DWUURNUSMDBPDK-DEOSSOPVSA-N 433.600 4.479 10 20 IICD COc1ccc([C@H](CCO)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 749671763 QWMYAFFNUJSQGR-QFIPXVFZSA-N 432.480 4.289 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(-c3ccccc3Cl)c2)cc1 750874234 HHDIHDHIJBYJRV-OAQYLSRUSA-N 438.959 4.413 10 20 IICD CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccccc1C(F)(F)F 751465539 HSSJICFRXBGVRF-UHFFFAOYSA-N 438.265 4.384 10 20 IICD C[C@@H](NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 753763060 MGWIENYRINHSSQ-HOYKHHGWSA-N 435.584 4.350 10 20 IICD COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(OC(C)C)c(OC)c3)CC2)cc1F 753837879 HQPQBRQXXBVNLF-KRWDZBQOSA-N 445.535 4.223 10 20 IICD C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F 755201288 FTCVKRSTLXPZPY-OXQOHEQNSA-N 429.492 4.111 10 20 IICD Cc1nccc(NCc2cccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)c2)n1 755703282 MGEJPZUBZFUILS-UHFFFAOYSA-N 444.583 4.180 10 20 IICD COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(Br)cc2O)c2nccn2C)c1 756390824 JEJGSOUGYBSZTD-RNODOKPDSA-N 446.345 4.346 10 20 IICD C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)cc(Cl)c1O 756510598 KMPTYOIJFOFTSG-NSHDSACASA-N 432.767 4.204 10 20 IICD NC(=O)c1ccccc1Oc1ccc(NC(=O)NCCCSc2nccs2)cc1 758619040 KITQVLKEXKBQHY-UHFFFAOYSA-N 428.539 4.338 10 20 IICD Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 761575543 KRUKQJFLXWJUKW-NYHFZMIOSA-N 435.503 4.048 10 20 IICD COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 763578621 BUWAEORWUNMDJC-KRWDZBQOSA-N 446.954 4.035 10 20 IICD CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 764353882 RVOCLEGJDVTAHI-PMACEKPBSA-N 437.531 4.246 10 20 IICD C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(SC(F)F)cc1 765980163 QIMXKZRLIPJZGL-OAHLLOKOSA-N 426.554 4.087 10 20 IICD C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 766238052 OHDMYQBYOVDTNF-RFWXGWTQSA-N 430.543 4.152 10 20 IICD Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nnn1Cc1ccc(F)cc1 766602644 AGBOUXHWJZPLDO-UHFFFAOYSA-N 449.452 4.045 10 20 IICD C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1 767885004 MBVPTYWKIXBSJF-INIZCTEOSA-N 446.389 4.218 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nc2cc(C(F)(F)F)ccc2n1C 769381461 OMJFAYRUJJXTKR-UHFFFAOYSA-N 441.837 4.126 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1 769930917 FUALBGICBCVGES-UHFFFAOYSA-N 442.317 4.419 10 20 IICD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773002339 ZJYCEXSMPOCIEN-SJORKVTESA-N 434.627 4.294 10 20 IICD Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 773008016 UOXYUCLESLXBTM-TZIWHRDSSA-N 447.583 4.009 10 20 IICD Cc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 775261545 VZYMRZXIGRRWNA-SFHVURJKSA-N 436.581 4.244 10 20 IICD COc1cc(O)c(CNCC2(c3cccc(Br)c3)CCOCC2)cc1OC 776029431 LHRXCCZDTXXGHS-UHFFFAOYSA-N 436.346 4.010 10 20 IICD COc1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC(=O)C1CC1 776175058 GAGDJFDDZJFGIQ-HXUWFJFHSA-N 444.959 4.124 10 20 IICD COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 777665352 GFOWOIOXCLSQGU-UHFFFAOYSA-N 448.482 4.006 10 20 IICD Cn1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(-c2ccccc2)n1 779624681 QPGUWUSKEWEHDT-UHFFFAOYSA-N 441.482 4.479 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 780047991 PHIVKEHFOKDXMA-UHFFFAOYSA-N 425.863 4.043 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 781403667 ZWJCZSLCUHZBEU-JKSUJKDBSA-N 438.410 4.339 10 20 IICD CCOC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 783483366 UYJSEMHHHMSXMA-QGZVFWFLSA-N 431.492 4.178 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 785294874 PEADVJPHXGMLSS-AWEZNQCLSA-N 440.883 4.229 10 20 IICD CCCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 788328449 QDVRFVZZMNNNBR-IBGZPJMESA-N 437.584 4.415 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])n2)c1 790639656 RXJBUVMBSZURJX-UHFFFAOYSA-N 449.510 4.153 10 20 IICD COc1cc(NC(=O)NCc2ccccc2O)c(Br)cc1Br 792474851 LWWHFMPPUBRZKT-UHFFFAOYSA-N 430.096 4.248 10 20 IICD CC(C)N(CCn1c(Sc2ncc([N+](=O)[O-])s2)nc2ccccc2c1=O)C(C)C 799927706 GAWXNMRXOCSZCI-UHFFFAOYSA-N 433.559 4.031 10 20 IICD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800635913 AZLHPQVKFLVWMU-CQSZACIVSA-N 444.919 4.048 10 20 IICD COc1cccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1F 800721624 BEFGISZGOFNWDU-LDADJPATSA-N 431.510 4.049 10 20 IICD CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1cccnc1 803676809 RKHDUCPCXBZYOG-DEOSSOPVSA-N 436.600 4.023 10 20 IICD CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 807245821 HJMOQMZWNPMCAN-GCJKJVERSA-N 430.589 4.011 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC2(C1)Oc1ccccc1O2 808962104 MFENWQRXHOEQIY-UHFFFAOYSA-N 428.448 4.441 10 20 IICD COc1cc(N2CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)cc(OC)c1OC 810332507 UBQAKPRGFWAGQU-UHFFFAOYSA-N 448.523 4.129 10 20 IICD CCOc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1OC 913517318 MIVRUDWXFVXAMJ-YBFXNURJSA-N 428.535 4.458 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@@H](C)c1nncn1C 916580746 SOGOTFKRPHRRCL-KSSFIOAISA-N 446.477 4.371 10 20 IICD CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H](C)c1ccc(F)cc1 917141247 UFTBGRHAZCETBP-OTWHNJEPSA-N 445.554 4.278 10 20 IICD COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1 917849790 NGBGAZVBFNLCGP-UHFFFAOYSA-N 446.550 4.088 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCc4ccncc4)cc3)cc2F)C[C@@H](C)O1 918140624 NJYDSTXSMGVFAQ-KDURUIRLSA-N 449.526 4.343 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](Cc1ccccc1)c1ccccc1 918186731 IDSIYOYSKNJJLO-XMMPIXPASA-N 433.527 4.446 10 20 IICD COCc1ccccc1CNC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 918953672 QSNDWWLXMRWJNC-UHFFFAOYSA-N 433.464 4.427 10 20 IICD CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)o1 919520706 FXGCMORMJQAUGL-OAHLLOKOSA-N 442.899 4.405 10 20 IICD Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1 1333981318 KBOWZGDZMMFQPA-UHFFFAOYSA-N 448.590 4.483 10 20 IICD CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccccc1OC 28020736 HPEFSGARLRWTDR-RCZVLFRGSA-N 437.584 4.157 10 20 IICD O=C(CCOc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933393 HQZMYUIYWYCORM-UHFFFAOYSA-N 442.865 4.281 10 20 IICD Cc1cc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c(C)n1-c1cccc(Cl)c1 72028219 PSXYJAYTKPRGTH-UHFFFAOYSA-N 436.899 4.052 10 20 IICD COc1ccc(N2CCCN(Cn3nc(C4CC4)n(-c4ccccc4)c3=S)CC2)cc1 108224488 VTDFTWMHFFZSPC-UHFFFAOYSA-N 435.597 4.459 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 109759772 JLYRSKIMBPPKCC-RTWAWAEBSA-N 429.358 4.048 10 20 IICD COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 110064583 KOYWQDQWKVOKPO-KRWDZBQOSA-N 439.943 4.467 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)ccc21 482095439 PGRZZPXDYRJLCR-NRFANRHFSA-N 433.552 4.395 10 20 IICD CO[C@H](C)c1nc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cs1 546529741 FHXWFULNQDBHIE-CYBMUJFWSA-N 440.550 4.016 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 725870130 ADFMHMBBNIYTLX-QHCPKHFHSA-N 425.573 4.245 10 20 IICD COCCOc1cccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c1 726625142 DRLSCVUSUOVNMI-UNOMPAQXSA-N 431.535 4.135 10 20 IICD Cc1noc(CNC(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)n1 727225948 SPBPVSHWKAGVEB-QGZVFWFLSA-N 433.434 4.373 10 20 IICD CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)c(C)c1 727247262 XDQLHRWZSBLJCG-UHFFFAOYSA-N 432.523 4.105 10 20 IICD CCOC(=O)c1c(NC(=O)CCN2CCCO[C@@H](C)C2)sc(C)c1-c1ccccc1 727438180 YVVBTZSXQHRRQA-INIZCTEOSA-N 430.570 4.340 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 729035247 HBQPXOFCQIIUJP-OAHLLOKOSA-N 437.471 4.353 10 20 IICD CN(C)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1 734852980 KQVHVKYGQOWHAE-UHFFFAOYSA-N 437.565 4.189 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 735864782 FIBKNLJEYCZSRL-UHFFFAOYSA-N 431.558 4.011 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCSCC4)cc3)CC2)cc1 743191198 YMIPRYXPCLLNGA-UHFFFAOYSA-N 426.586 4.039 10 20 IICD COc1cccc(CN(CC(C)C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 746946625 QHDHHBFPJOYBCI-UHFFFAOYSA-N 443.563 4.163 10 20 IICD C[C@H](O)c1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 748554372 MAPBWCXPPMZJEU-HIXWQLQUSA-N 446.619 4.099 10 20 IICD COCCCOc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 749955067 FNBBSQYLQRRLQQ-UHFFFAOYSA-N 434.483 4.102 10 20 IICD CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cn2)sc(C)c1-c1ccccc1 751842788 GDTGYAREZFCXQV-UHFFFAOYSA-N 442.468 4.230 10 20 IICD COc1ccc(N2CCC(N[C@H]3CCCC[C@@H]3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 756526802 GRCQGIAIBLNQJB-DQEYMECFSA-N 442.625 4.347 10 20 IICD COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)c1 756735709 HCTLPZNEGAGIGG-APPDUMDISA-N 425.312 4.172 10 20 IICD CC(C)(NC(=O)C(F)(F)F)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 759121064 OGQHKWZDYIDMCR-UHFFFAOYSA-N 436.390 4.041 10 20 IICD CCC[C@@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 759215897 KLXNKUSEYFWOEG-HXUWFJFHSA-N 427.545 4.085 10 20 IICD COc1cc(N2CCN(Cc3ccccc3N3CCCCC3)CC2)cc(OC)c1OC 761218775 IARZIKIDHGMMSN-UHFFFAOYSA-N 425.573 4.025 10 20 IICD Cc1nc(CCC(=O)NCCc2ccc(O)c(O)c2)oc1-c1ccc(Br)cc1 762267361 GVVUPLUDPDFRSV-UHFFFAOYSA-N 445.313 4.115 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)cc2F)C[C@@H](C)O1 766351851 ANUFNPKALGGKBD-UTJXIGIESA-N 436.449 4.277 10 20 IICD Cc1cc(Cc2nc(CC(=O)NCCCOC(C)C)no2)c(C)n1-c1ccc(Cl)cc1 771155452 XHXBLIMGNQWIHK-UHFFFAOYSA-N 444.963 4.195 10 20 IICD C[C@H](NC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1)c1ccc(N(C)C)cc1 773856148 JMGKBNNTKYWGJR-IBGZPJMESA-N 430.552 4.205 10 20 IICD Cc1cc(C(=O)CN2C(=O)NC3(CCC(=O)CC3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 779783464 FOPMFDMVFWXXAH-UHFFFAOYSA-N 449.551 4.008 10 20 IICD CC(=O)Nc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1Cl 782895635 BHGGFOXKQPOOMF-UHFFFAOYSA-N 443.931 4.304 10 20 IICD CC(=O)N1CCN(c2ccc(CNc3ccnc4cc(Br)ccc34)cc2)CC1 786065550 CHJYAZDTIHTJNB-UHFFFAOYSA-N 439.357 4.278 10 20 IICD O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccc(N2CCOCC2)cc1 787149131 GPIJNSJHZYUDSX-UHFFFAOYSA-N 441.984 4.083 10 20 IICD CC(C)(C)C[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 788232346 GMILAIWNCBTKJD-QFIPXVFZSA-N 439.625 4.150 10 20 IICD Cc1nc(C(C)C)oc1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 796201516 OYCTZCLZUVCLAV-CQSZACIVSA-N 446.459 4.066 10 20 IICD CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 796334993 QKDAWJOHIWNYGX-VWLOTQADSA-N 443.591 4.291 10 20 IICD COCc1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)s1 799563163 PNOVWQKRMRZWTL-UHFFFAOYSA-N 439.606 4.440 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[S@@](=O)Cc3ccccc3)cc2Cl)C1 799930433 NYYMTIPZFPQCGH-VPTFNQTCSA-N 448.032 4.324 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(S(=O)(=O)C(F)F)cc1 806145656 LRQGLXVHTASDRY-UHFFFAOYSA-N 425.240 4.017 10 20 IICD CCN(CC)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1F 806772923 WZVAEWIRUUKOQR-XPNTWCBSSA-N 425.548 4.386 10 20 IICD CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 807672520 ZURXZCAMQVPPGX-GOSISDBHSA-N 433.552 4.187 10 20 IICD C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1 807673957 CLIYJIIZUHLNNK-ZRCAFCQKSA-N 447.501 4.401 10 20 IICD C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 813513700 RKPRHQPEWFZAGX-IERDGZPVSA-N 442.556 4.437 10 20 IICD CC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]1c1cccnc1 813662509 YJPWYARZXWRFIH-FXAWDEMLSA-N 430.499 4.445 10 20 IICD CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CC[C@H](C)C2 825504550 PQLMRNVFIBCDGI-XHDPSFHLSA-N 430.501 4.253 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1Cl 915290966 DSJQMXYGCLNJGF-UHFFFAOYSA-N 433.942 4.457 10 20 IICD O=C(Nc1ccc(Cl)c2ncccc12)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294334 QBKABXDNHZCZMY-UHFFFAOYSA-N 435.867 4.354 10 20 IICD Cc1cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1-c1ccccc1Br 918618404 NNMQCTXMYMZRKC-KRWDZBQOSA-N 443.345 4.484 10 20 IICD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)s1 918739699 KUSIHKRDYLHQJE-VIFPVBQESA-N 443.522 4.148 10 20 IICD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1Cl 919969392 XGEBAZLFEOBZFP-UHFFFAOYSA-N 437.765 4.241 10 20 IICD C[C@H](NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(N2CCOCC2)cc1 920866334 AQCVXNXUCMRXFZ-INIZCTEOSA-N 438.959 4.487 10 20 IICD CN1CCN(c2ccc(/C=C(\Cl)c3nc(=O)c4ccc(Cl)cc4[nH]3)cc2F)CC1 1321784340 WNVUVOBOUCXJOO-YBEGLDIGSA-N 433.314 4.204 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2C2CC2)cc1 1792960910 JDGUAFZOXAGUQK-DYRSJPJJSA-N 431.580 4.392 10 20 IICD CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1O 71963581 ACMWHTXYPVUHAW-QGZVFWFLSA-N 441.380 4.209 10 20 IICD Cc1c(CNC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)n(C)c2ccccc12 471232315 VXMZUFRJMMRCGP-UHFFFAOYSA-N 432.545 4.391 10 20 IICD Cc1c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)n(C)c2ccccc12 471236902 XVAXROOZNQHIIG-LJQANCHMSA-N 441.478 4.009 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)n(C)c2ccccc12 472793422 QTZPJGBEZDNDDK-UHFFFAOYSA-N 443.551 4.360 10 20 IICD Cc1c(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)n(C)c2ccccc12 473278535 QNUBBYUKOLADIA-UHFFFAOYSA-N 425.945 4.129 10 20 IICD Cn1ccnc1[C@](O)(CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(F)(F)F 725849341 KTJRXUKPEJDGHA-OAQYLSRUSA-N 427.511 4.260 10 20 IICD C[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(S(N)(=O)=O)c1 727319078 NPWVTEJLGPFGKE-MRXNPFEDSA-N 437.525 4.039 10 20 IICD O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 728699385 SUSOXMAIKBCESX-OOXMNIKJSA-N 430.304 4.020 10 20 IICD CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 729034227 IMOZSURANGXARM-OAHLLOKOSA-N 432.952 4.079 10 20 IICD CCOc1ccccc1[C@H](CC)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730126024 UHVNVCVKEFMEFW-QFIPXVFZSA-N 442.579 4.317 10 20 IICD CC[C@@H](C)CN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 731998434 UTZBRZKISGLCMZ-KMHUVPDISA-N 441.416 4.155 10 20 IICD O=S(=O)(NCCCSc1nccs1)c1ccc(Br)cc1Cl 733899390 HKXPRBYOQRZPFW-UHFFFAOYSA-N 427.798 4.020 10 20 IICD C[C@H]1CN(c2ccc(CNc3ncccc3I)cc2F)C[C@H](C)O1 740866446 QZDYWPHDROJCNB-STQMWFEESA-N 441.288 4.051 10 20 IICD COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 743045969 INMLRSKLHACDOY-UHFFFAOYSA-N 440.905 4.498 10 20 IICD COCCOc1cccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1 743284452 MXLAPPVZBLKSFX-OFBHVFLISA-N 427.547 4.437 10 20 IICD CCO[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCCC2 743702614 QYRWTEVUBWMXBF-PMACEKPBSA-N 437.531 4.294 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1c(F)cccc1Cl 746222480 KCBKACMQTIEVLE-UHFFFAOYSA-N 445.844 4.334 10 20 IICD Cc1cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c(C)n1-c1ccc(Br)cc1 746623588 FTFZCJCOADMXQD-KRWDZBQOSA-N 441.373 4.295 10 20 IICD CC(C)c1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1-c1ccccc1F 751305694 JIFISCGSGUFIIJ-UHFFFAOYSA-N 441.470 4.492 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1 752622694 WRAFWPOWWDEEKK-VLIAUNLRSA-N 433.346 4.178 10 20 IICD Cc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(OC(C)(C)C)c1 753920558 ALWCCBDSSFUYFU-UHFFFAOYSA-N 439.600 4.380 10 20 IICD CCN(Cc1ccccc1)c1ccc(CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)cc1 754154386 NMPOHARRSBLBLT-VVFBEHOQSA-N 436.625 4.235 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 754936100 CMSVJUSUUPZWNV-UHFFFAOYSA-N 438.915 4.157 10 20 IICD C[C@H]1CN(Cc2cccc(CN[C@H](C)c3cc(Br)cc(F)c3O)c2)CCO1 756458006 ITWMTZXLYBXCER-LSDHHAIUSA-N 437.353 4.365 10 20 IICD C[C@H](NC[C@@H]1CSCCS1)c1cc(Br)cc(Br)c1O 756649927 SJEWACJPQMWNAB-WCBMZHEXSA-N 427.227 4.416 10 20 IICD C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)cc(F)c1O 756796813 NUGMAJMDNVENLJ-LLVKDONJSA-N 429.311 4.007 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)cc1 758416509 QNICENOXNDMRRI-XACIZNRCSA-N 447.509 4.180 10 20 IICD C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(N2CCOCC2)cc1Cl 760019455 RZCSRHBPEDRMSV-NZQKXSOJSA-N 444.019 4.118 10 20 IICD Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c(C)n1-c1ccc(Br)cc1 760901777 QJVVDVQRYSVGHE-UHFFFAOYSA-N 445.279 4.386 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)Nc1cc2c(cc1Sc1ccccc1)OCCO2 761639237 VQDDYZVGLLXRGO-UHFFFAOYSA-N 438.505 4.384 10 20 IICD Oc1c(Br)cccc1CN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 764934827 NFEHKMCUMHPJRE-UHFFFAOYSA-N 425.208 4.060 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1cccc(Cl)c1 765119492 XLNDRBNLUBVBJM-OAHLLOKOSA-N 429.927 4.056 10 20 IICD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4csc(C)n4)s3)CC2)cc1 765179678 FFMCJWKAOCNTRC-UHFFFAOYSA-N 449.623 4.136 10 20 IICD C[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl 766571265 DRGQFOCCTXFFNB-FPOVZHCZSA-N 442.003 4.061 10 20 IICD CC(C)N1CCN(c2cccc(NC(=O)c3cccc(CSc4nccn4C)c3)c2)CC1 767933863 NZAVDIJZIDIZNT-UHFFFAOYSA-N 449.624 4.495 10 20 IICD O=C(NC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 768249989 KTAXWUUWJOJMMA-UHFFFAOYSA-N 440.519 4.119 10 20 IICD CCN1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)c2)CC1 771634908 AAXZROCPCNJANL-UHFFFAOYSA-N 434.565 4.395 10 20 IICD Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCOc4cc(N(C)C)ccc43)cs2)c1 774751571 GEYDBZTURWAPNL-UHFFFAOYSA-N 436.581 4.406 10 20 IICD FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1c(C2CC2)nc2sccn12 774806822 SDRJBSUKRREPNN-UHFFFAOYSA-N 436.503 4.418 10 20 IICD C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl 774960098 RSKDUFINBGCOFB-GFCCVEGCSA-N 426.319 4.034 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1nnc(-c2cccc(Cl)c2)s1 775825581 VDGIDPWXMKIGGV-UHFFFAOYSA-N 447.923 4.156 10 20 IICD O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 778411359 RCZBCHFRAWABFJ-PHBPSXPMSA-N 448.635 4.090 10 20 IICD C[S@@](=O)Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1Cl 784057727 CPLVGHXZARRVFA-SSEXGKCCSA-N 447.988 4.105 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)cc1 784108662 JIXSZVCPRNXYIQ-UHFFFAOYSA-N 425.504 4.359 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 785813574 MJOAJEZPPBKKGZ-FQEVSTJZSA-N 445.357 4.079 10 20 IICD C[C@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1 787064704 LSZOQHUYVRXWFR-QWHCGFSZSA-N 428.480 4.120 10 20 IICD COc1ccc(-c2nc(NS(=O)(=O)c3ccc(Br)o3)sc2C)cc1 799636364 NSCDXDOFSYBDKE-UHFFFAOYSA-N 429.317 4.283 10 20 IICD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)c1 800924767 FAMIKCFWQZCWQN-UHFFFAOYSA-N 427.507 4.176 10 20 IICD C[C@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cc(Br)c(F)cc1O 800993368 KFRQKPJZFZWWNI-GOEBONIOSA-N 435.337 4.178 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)c(F)cc1F 802609504 CGJYWJSMWUCUFN-UHFFFAOYSA-N 441.272 4.200 10 20 IICD CC(C)(CNC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=CCCCC1 803449214 RNMWSLFNPOFCGJ-UHFFFAOYSA-N 449.542 4.016 10 20 IICD C[C@H](NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 804400338 RZMCUSSVBSPWHT-HNNXBMFYSA-N 435.490 4.043 10 20 IICD O=S(=O)(Cc1ccccc1Br)NCc1cc(Cl)cc(Cl)c1O 805135212 QFVKTLYZYOLANZ-UHFFFAOYSA-N 425.131 4.081 10 20 IICD C[C@]12CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C[C@@H]1C2(Cl)Cl 806685591 VLUAVAKSSUWLEZ-LPHOPBHVSA-N 448.341 4.482 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1 808936764 DVHDNKAKXZAGTB-UHFFFAOYSA-N 432.524 4.316 10 20 IICD CCCOc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 916393770 JDLXCPCKNUORQK-HXUWFJFHSA-N 428.529 4.080 10 20 IICD COc1ccc(N2CCCN(Cn3nc(COc4cccc(C)c4)oc3=S)CC2)cc1 917487377 JGTYGEQSWHDSEA-UHFFFAOYSA-N 440.569 4.271 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)C2CC2)cc1 918083042 KJYMJZBHHAVGAC-UHFFFAOYSA-N 429.568 4.301 10 20 IICD Cc1cccc(OCCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918202864 OXQQSZWEBSVWLB-KDURUIRLSA-N 429.536 4.016 10 20 IICD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)s1 918742534 MGLGIVJVMMBERY-SNVBAGLBSA-N 425.532 4.009 10 20 IICD Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Br)cc2n1 919767350 AIMLYSMOENMWMY-UHFFFAOYSA-N 440.341 4.072 10 20 IICD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 920252504 LDCMHEULRCQTJN-NXVVXOECSA-N 441.531 4.206 10 20 IICD Cc1nnnn1[C@@H](Cc1cccc(F)c1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 1322099052 MFBHECYGEVPHSD-QFIPXVFZSA-N 443.486 4.410 10 20 IICD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1335410283 RMEGJTHEGLHOBG-IBGZPJMESA-N 425.916 4.268 10 20 IICD COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)Cc2cccs2)cc1 57644483 HJOVHZWMPIGVGA-UHFFFAOYSA-N 437.565 4.239 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)ccc21 486531251 HETNQSHYGMOLAI-HSZRJFAPSA-N 428.479 4.396 10 20 IICD CCCCN(C)C(=O)C1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 486673296 FJJKQDVCYKDRMU-UHFFFAOYSA-N 427.589 4.015 10 20 IICD CCn1c(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc2ccccc21 726610797 LRSHJAUJWVTDOH-UHFFFAOYSA-N 443.498 4.126 10 20 IICD CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 727134472 YCMFYPAGBUSQLT-HSZRJFAPSA-N 435.568 4.265 10 20 IICD COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)cc4c3O[C@@H](C)C4)SC2=S)cc1 727860763 LBNYJSUDRMAOGZ-DABDWFRDSA-N 441.574 4.471 10 20 IICD COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1O 729858772 BYVMYXUDVFGJEY-AVRDEDQJSA-N 436.533 4.181 10 20 IICD CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccsc4)nc3C)cc2F)CC1 730192870 NXGZTHCUQBYNPK-UHFFFAOYSA-N 438.572 4.330 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N(CCc3cccc(F)c3)C3CC3)cc2F)C[C@H](C)O1 733848307 LWIKIBIELOWCOL-ROUUACIJSA-N 443.538 4.495 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 734649122 ZVAXNNJNVYMDSL-UHFFFAOYSA-N 434.515 4.452 10 20 IICD CC(C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(=O)OC(C)(C)C 734690801 YLTIEIGYUMAMJZ-IBGZPJMESA-N 431.533 4.246 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3N(C)C)cc2F)CC1 737009903 ZWUBNJVBTCSIIC-UHFFFAOYSA-N 433.959 4.009 10 20 IICD Cc1nn(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)c(C)c1[N+](=O)[O-] 742475795 NSBCYYDFPHFUTR-UHFFFAOYSA-N 447.539 4.377 10 20 IICD C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 745646571 FBDORBNJHSATLY-HJPURHCSSA-N 429.511 4.219 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1c(Cl)cccc1Cl 746231512 MQAYJLGBLOEIBZ-UHFFFAOYSA-N 426.319 4.093 10 20 IICD Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2C)c1 747209582 LJXDFMDPMOJCPH-UHFFFAOYSA-N 435.543 4.433 10 20 IICD Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccccc3O)c([N+](=O)[O-])c2)c(C)c1 748306278 CPTNAHKKTMNEDD-UHFFFAOYSA-N 427.482 4.330 10 20 IICD COc1ccc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CCC2)cc1 750723945 BFHURUMMFWAZAH-HDICACEKSA-N 426.532 4.186 10 20 IICD COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)n1 757552179 RIZNXUCDLNWMGY-UHFFFAOYSA-N 444.513 4.253 10 20 IICD C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nc(-c2ccc(Br)cc2)no1 760485360 HSSCCYVPLNDEBB-ZDUSSCGKSA-N 444.333 4.126 10 20 IICD NC(=O)c1ccc(N2C(=O)/C(=C\c3sccc3Br)SC2=S)cc1 764886350 QDHLPIASSGHMFL-KPKJPENVSA-N 425.354 4.015 10 20 IICD Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn2)c1 765671732 XQVSCHZIBRXBGX-NBGIEHNGSA-N 430.552 4.376 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C1(c2ccc(OC)cc2)CCOCC1 769291313 MIDNBEDBJXZPOO-UHFFFAOYSA-N 448.357 4.260 10 20 IICD CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[C@H]1NC(=O)OC(C)(C)C 769482333 CKXONPINROXOTE-XJKSGUPXSA-N 443.382 4.289 10 20 IICD COC(=O)c1cn(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C2CC2)n1 771664360 SNQCCRHENONNOA-UHFFFAOYSA-N 443.450 4.439 10 20 IICD COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC 771790597 DUUSCUJAHVGPLQ-QHCPKHFHSA-N 437.584 4.098 10 20 IICD O=C(NCCCSc1nccs1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 775195693 SCVOZKJJZGMVDB-SFHVURJKSA-N 445.997 4.301 10 20 IICD CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1 775661938 JPHBHAZXYMHCKU-INIZCTEOSA-N 433.512 4.182 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@@H](CO)c2ccccc2)sc(C)c1-c1ccccc1 782054076 WNWOJOQIQHYXLX-IBGZPJMESA-N 438.549 4.162 10 20 IICD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@H](C)c1cc(OC)ccc1O 782107490 WYJLXMDZZDIBHI-MRXNPFEDSA-N 443.544 4.297 10 20 IICD COc1cc(Br)cc(CNc2ccc(C)c(-c3nnnn3C3CC3)c2)c1O 784674408 DZZDEHGTALZWNC-UHFFFAOYSA-N 430.306 4.072 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(-c4c(F)cccc4F)c3)cc2)CC1 786263200 UOLJEFPTJKQFAG-UHFFFAOYSA-N 449.501 4.230 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(Br)c1 794685117 DEDKAWXTCGUDEI-NTEUORMPSA-N 444.372 4.304 10 20 IICD CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](CC)c2cc(Br)ccc2O)s1 797139557 HFLNVBSLVZZVBD-UHIISALHSA-N 441.395 4.273 10 20 IICD COc1ccc(O)c(CNC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1 806811300 UKFYLFFDIMPBLW-UHFFFAOYSA-N 441.528 4.088 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 809196715 YBEJLBUUZPCJHU-FYYLOGMGSA-N 437.559 4.227 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 813508613 LHBGNOQWUPADCC-UHFFFAOYSA-N 443.883 4.047 10 20 IICD NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 829165794 DTXZSBCQAFTKMP-NRFANRHFSA-N 445.479 4.383 10 20 IICD CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1O 877856740 UVIQVPPDVKFBIJ-SFHVURJKSA-N 435.883 4.276 10 20 IICD Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 914903290 IUZJHSXSBRYNKP-UHFFFAOYSA-N 443.507 4.087 10 20 IICD CCn1cnnc1CNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916580695 QENWLERBXWUJFH-GOSISDBHSA-N 446.477 4.293 10 20 IICD Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)c(Br)c1 917387066 QQFYPJDCZLDQHM-INIZCTEOSA-N 449.414 4.394 10 20 IICD Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1Cl 917735435 QBTVNPJIVAXIBO-UHFFFAOYSA-N 443.761 4.128 10 20 IICD Cc1nc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)s2)cs1 918197482 TUJOQSVHRIALRX-UHFFFAOYSA-N 446.573 4.155 10 20 IICD Cc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(C)n1-c1ccccn1 919895341 IVDTXTJWCYUIFX-UHFFFAOYSA-N 429.568 4.273 10 20 IICD COCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 920904824 BWTBYJWEVKFOFQ-UHFFFAOYSA-N 430.551 4.459 10 20 IICD C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)C1 1116017128 HHLGGUJLZONOGJ-FGZHOGPDSA-N 438.635 4.345 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1F 1321440685 QGYKWXVZBPSWSY-UHFFFAOYSA-N 433.549 4.032 10 20 IICD CCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 1323700919 QVMWEPWDXMFNKI-UHFFFAOYSA-N 429.586 4.082 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCC=CO3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789503783 CNRLVBFXNJCFNY-IBGZPJMESA-N 442.899 4.192 10 20 IICD C/C=C/C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811273899 SRJLZXUTATYTCT-VHCMEYNQSA-N 442.563 4.385 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCc1ccccc1F 11645634 SWIOTQRSSOLVNB-LJQANCHMSA-N 425.529 4.277 10 20 IICD COc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1OCC(F)(F)F 237248828 CWIFMKHSNLMBJE-UHFFFAOYSA-N 438.490 4.135 10 20 IICD COc1cccc(C(N)=O)c1OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 255934388 LWNLBNFPUCUMRT-UHFFFAOYSA-N 446.425 4.482 10 20 IICD C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(N2CCOC2=O)c1 726243411 HJVVMWJXWZSQHF-QGZVFWFLSA-N 435.480 4.415 10 20 IICD COc1ccc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726566515 QUDAUVAYBSGTRD-UHFFFAOYSA-N 434.483 4.023 10 20 IICD COc1ccc(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 730066040 CDNOXFGXDVQHKR-FQEVSTJZSA-N 442.556 4.078 10 20 IICD Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1-c1cccc2cnccc12 731183807 TTYOTVHZGSSDDZ-UHFFFAOYSA-N 440.551 4.386 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCSC[C@@H]3c3ccc(C)cc3)CC2)cc1 734944400 RCCQQHPGJBZTES-HSZRJFAPSA-N 425.598 4.472 10 20 IICD C[C@@H]1CN(c2ccc(CNc3nc(-c4ccccn4)nc4c3CCC4)cc2F)C[C@@H](C)O1 735074717 ZZAZBNHFJAJQTB-IAGOWNOFSA-N 433.531 4.392 10 20 IICD Cc1nn(C)c2nc(Cl)c(CN[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12 742384730 KOVBZYYEINCDIT-OAHLLOKOSA-N 435.906 4.290 10 20 IICD C[C@@H]1CCCC[C@H]1OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742753614 KPZYTZWMDASYHP-DUXKGJEZSA-N 433.593 4.030 10 20 IICD CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 743046522 VULUCXLMPCEYOX-UHFFFAOYSA-N 428.535 4.385 10 20 IICD CCC(CC)c1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)on1 743555384 XCNIQKIUKZOUPA-IYBDPMFKSA-N 432.540 4.330 10 20 IICD CCN(CC)c1ccc(CNC(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1F 743599233 SAAWCYSJVDBHAX-UHFFFAOYSA-N 441.595 4.206 10 20 IICD CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)cc1 745846266 FYMWALWTOZVGIX-OAQYLSRUSA-N 440.975 4.276 10 20 IICD COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 747859114 WBLPTULGBJIFPS-UHFFFAOYSA-N 432.523 4.023 10 20 IICD CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1F 747875997 AWUUVNBTNDYBIJ-BPMFVRGZSA-N 438.409 4.222 10 20 IICD CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1O 750039573 QGKNMQLIXHEEQK-UHFFFAOYSA-N 437.323 4.458 10 20 IICD C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 751086572 ZFABOFHKEKIXIU-OSPHWJPCSA-N 425.548 4.157 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)CC2)cc1F 753739662 XVHVHSGFSWGGMY-UHFFFAOYSA-N 427.520 4.090 10 20 IICD COc1ccc(O)c([C@@H](C)NC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 754140877 PYYIYJFNSPCSSA-WZONZLPQSA-N 440.565 4.080 10 20 IICD C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1cc(Br)cc(F)c1O 756575178 NLYWKZMTLYTNCT-LBPRGKRZSA-N 425.298 4.097 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1C[C@H]1c1cccc(Br)c1 761223626 LGLXPDXNIREXDD-HOTGVXAUSA-N 435.705 4.128 10 20 IICD Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)ccc1N1CCC[C@H](C)C1 762311020 YVJFQTFXUZMTDZ-AWEZNQCLSA-N 442.541 4.025 10 20 IICD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC2(CCCCCC2)C1 764355401 XYGIFBXANZLTKD-UHFFFAOYSA-N 437.531 4.392 10 20 IICD COc1ccccc1SC[C@@H](C)CNC(=O)NCc1cccc(Br)c1O 764780513 RSNNFENFYYVTFZ-ZDUSSCGKSA-N 439.375 4.391 10 20 IICD Cc1nnc(-c2ccccc2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 765683543 FYKHRJPNVUJROC-OAHLLOKOSA-N 428.439 4.045 10 20 IICD CCOC(=O)c1ccc(NC(=S)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 767916352 UDPLMOSNUPVYGX-UHFFFAOYSA-N 426.586 4.203 10 20 IICD COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC 771790596 DUUSCUJAHVGPLQ-HSZRJFAPSA-N 437.584 4.098 10 20 IICD CC(C)n1ncc2c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc(-c3ccccc3)nc21 773741179 VZIJREFAKDWVQZ-INIZCTEOSA-N 430.508 4.451 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)c1ccc(N(C)C)cc1 773847156 PAHOHLHKKYWRKE-GFCCVEGCSA-N 425.476 4.065 10 20 IICD Cc1cccc(-c2noc(SCC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n2)c1 777803627 QPOYCOXOCLZZHJ-LJQANCHMSA-N 439.537 4.051 10 20 IICD O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 779376490 OFLSGHNBOWDUQD-HKUYNNGSSA-N 447.938 4.154 10 20 IICD C[C@@H](NC(=O)CCc1cc(F)ccc1Br)c1ccc(N2CCOCC2)cc1 783933481 NJKKHDYGGCUEKI-OAHLLOKOSA-N 435.337 4.235 10 20 IICD Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1-c1ccc(Cl)cc1 787592072 BTILBKPKUMZMQA-UHFFFAOYSA-N 427.892 4.330 10 20 IICD C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 798058543 CYIHUSVIVXVJKH-GQWLDOHISA-N 444.373 4.202 10 20 IICD CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 801983653 SWVZCFRLEMRUIX-LJQANCHMSA-N 435.572 4.147 10 20 IICD CC1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)cc2)CC1 806806023 FVYMWIDRXYWSME-UHFFFAOYSA-N 439.535 4.303 10 20 IICD C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)c1ccc(N(C)C)cc1 815575201 LPAFDPIUNYFMMS-LLVKDONJSA-N 429.826 4.121 10 20 IICD COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccccc4OC(F)F)CC3)c2c1 917453321 AZPZHBTWLLXJFP-UHFFFAOYSA-N 442.462 4.113 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 919653475 CBIIEZFYAVDEIR-HSZRJFAPSA-N 436.556 4.488 10 20 IICD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1 1322380690 HRDNFACFRJPNPS-MRXNPFEDSA-N 445.972 4.147 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)n2)cc1 1327056480 UWPGTBYFWOSKOB-UHFFFAOYSA-N 443.550 4.283 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cscn2)cc1 1795163319 BGNHMEDABFIDKJ-NUZGMZIFSA-N 434.565 4.116 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290627 CKPJQNVXOFOXTQ-KRWDZBQOSA-N 446.935 4.361 10 20 IICD CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831382693 YXCYWDOEHTXHNY-IBGZPJMESA-N 436.980 4.421 10 20 IICD CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)CC1 1837651454 IIEUAELVAKIOMZ-UHFFFAOYSA-N 437.584 4.116 10 20 IICD O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)NC(=O)NC1CC1 11217335 YSBXZOVPSAWYTE-UHFFFAOYSA-N 440.956 4.332 10 20 IICD O=C(CSc1ccc(Br)cc1)NCc1ccc(N2CCSCC2)cc1 108194203 TYYRKWFSSHUGJU-UHFFFAOYSA-N 437.428 4.411 10 20 IICD COc1c(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cnc2ccccc12 545722883 PFRVTLZVMUXTJC-UHFFFAOYSA-N 428.473 4.177 10 20 IICD Cc1ccccc1CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCOCC2)cc1 726236641 PFHZFHJWLWPKFI-UHFFFAOYSA-N 430.552 4.139 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccccc2OC(F)F)n1 727250899 LCFRVYNRCKNKOC-UHFFFAOYSA-N 430.429 4.360 10 20 IICD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 729035857 OTKVDBHFRHARHM-QGZVFWFLSA-N 433.508 4.489 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)c2C)cc1 729389771 DTGAUOFFYSPFAE-LJQANCHMSA-N 441.572 4.432 10 20 IICD CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 734009331 SSGJUGVRHUGWCI-UHFFFAOYSA-N 441.519 4.381 10 20 IICD CCOC(=O)c1sc2nc(CN(C)C)nc(NCc3ccc(N(C)C)cc3C)c2c1C 734482741 UBHXNKSHPNQFBE-UHFFFAOYSA-N 441.601 4.225 10 20 IICD COc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 743410734 OVMGHRIYUBNMDX-JYFHCDHNSA-N 444.531 4.197 10 20 IICD Cc1cccc(O[C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 743554866 MUIUCJUJASBFFG-QYZOEREBSA-N 429.536 4.014 10 20 IICD CO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1cccc(Cl)c1 743555328 VXXZWLFQTXXZGB-PONJGIIJSA-N 449.954 4.280 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3Cn3cncn3)c2C)cc1 745525115 FAVMPXHAASRKPM-UHFFFAOYSA-N 428.492 4.082 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOc1cccc(OC)c1 745832784 LWEBPVSUQUVYIS-UHFFFAOYSA-N 437.334 4.164 10 20 IICD CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(OC)c(OC)c1 749905521 JZYZFFGSNPWYJQ-UHFFFAOYSA-N 439.537 4.483 10 20 IICD O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc([N+](=O)[O-])ccc1Br 751302974 SDUXDQRGCPWRTA-UHFFFAOYSA-N 438.241 4.319 10 20 IICD C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cc(Cl)ccc1F 751930048 FSZBQHMWQDOZPY-LLVKDONJSA-N 433.892 4.293 10 20 IICD CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccccc1F 751937619 SFWPGBRBOSFDCO-HXUWFJFHSA-N 427.501 4.275 10 20 IICD Cc1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c(C)n1-c1ccc(F)cc1 753701843 WZCWIHMNJNZHEY-CTNGQTDRSA-N 428.529 4.259 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)c(N2CCCC2=O)c1 754536283 WBVNMNGXNVMXIC-UHFFFAOYSA-N 444.874 4.495 10 20 IICD Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 755985247 NHFTVODUGGFEQT-UHFFFAOYSA-N 429.292 4.296 10 20 IICD C[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)cc(F)c1O 756649721 ISJAYXGGQCEMRF-RHSMWYFYSA-N 435.337 4.178 10 20 IICD CCc1c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1CC(C)C 757906961 YSDBNFRNHVMHOQ-UHFFFAOYSA-N 435.519 4.493 10 20 IICD C[C@H](NC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(N2CCOCC2)cc1 757910428 UOEZJVUYWPFQEJ-IBGZPJMESA-N 443.551 4.321 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(F)ccc1Br 758270683 OPZGHBSOFXUJOT-UHFFFAOYSA-N 440.288 4.010 10 20 IICD C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 758543737 IQEQYPQVNOXCKQ-BLIXFSHQSA-N 430.499 4.445 10 20 IICD CCCCOc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC 760999749 PFNLURHVKVBZSX-UHFFFAOYSA-N 432.904 4.198 10 20 IICD COc1cc(Cl)cc(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1O 761197805 DQOVKFPUVXOIAN-UHFFFAOYSA-N 427.932 4.463 10 20 IICD CC(C)n1ncc2cc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc21 762279950 CVPDHLUKJDVBGS-UHFFFAOYSA-N 426.586 4.428 10 20 IICD CCOC(=O)c1c(NC(=O)c2cc3n(n2)CCCO3)sc(C)c1-c1ccc(F)cc1 762968542 DYZUCGNLXZLCGE-UHFFFAOYSA-N 429.473 4.271 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)n2)c(C)c1 764950368 JKPOLJVAIBLUBG-UHFFFAOYSA-N 439.562 4.063 10 20 IICD Oc1c(Br)cccc1CN1CCO[C@@H](c2ccc(Br)cc2)C1 769054439 JRSKHIPEGJCLCK-MRXNPFEDSA-N 427.136 4.491 10 20 IICD CCCCCN(C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)C(C)C 769710196 INHPFFTWJXVCPM-UHFFFAOYSA-N 449.529 4.142 10 20 IICD NC(=O)C1CCN(CCc2ccc(NCc3cc(-c4ccccc4)ccc3O)cc2)CC1 770552452 ZHVPAGZMELISOY-UHFFFAOYSA-N 429.564 4.411 10 20 IICD O=C(Cc1cc(Br)ccc1F)Nc1c(-c2ccccn2)nc2ccccn12 771399791 FDMNUICWQDPJKC-UHFFFAOYSA-N 425.261 4.479 10 20 IICD CCCCn1cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1 773720711 UZLFMPOHAGBHRB-SFHVURJKSA-N 435.519 4.061 10 20 IICD COc1cc(Br)cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O 775039783 NQRHJIGIFZXHLM-IUODEOHRSA-N 429.355 4.041 10 20 IICD CC(C)C[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 776937337 CVWQCEFWWGBPRA-XLIONFOSSA-N 425.520 4.150 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)c1ccc(Cl)cc1 777404977 YCXISLOEADKDJG-KRWDZBQOSA-N 428.960 4.074 10 20 IICD COc1c(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cccc1C(N)=O 782841637 FSLNAIDIFCUISO-UHFFFAOYSA-N 442.313 4.216 10 20 IICD Cc1ccn(-c2ccccc2NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n1 783482861 LQYCWOJKYWTOMR-LJQANCHMSA-N 439.519 4.496 10 20 IICD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784058904 BISNPPAFGDEFRC-UHFFFAOYSA-N 443.569 4.374 10 20 IICD CC(C)(C)C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 788232344 GMILAIWNCBTKJD-JOCHJYFZSA-N 439.625 4.150 10 20 IICD CCC[C@H]1CCc2nc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)sc2C1 789382941 UYJJEMUAZSVYRT-INIZCTEOSA-N 440.613 4.244 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1nc(C2CCCC2)no1 791246689 QGLTWGZBNGNHDV-UHFFFAOYSA-N 442.560 4.048 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1 791480893 BKKYSEDNENXUIH-UHFFFAOYSA-N 426.561 4.476 10 20 IICD CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 794274882 LOCOMTUYPUTOJW-XYDKVEKUSA-N 426.513 4.273 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 797627970 QVWBWERTLANTLW-HNNXBMFYSA-N 429.517 4.217 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccccc2OC)c1C 798976788 COBJUSCJTBPJPD-UHFFFAOYSA-N 444.329 4.320 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1I 801550389 YGYVSWOPYQMURW-UHFFFAOYSA-N 444.700 4.488 10 20 IICD CC[C@@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O 810216331 SYGSLKKUTAHUNX-LJQANCHMSA-N 444.519 4.480 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc4ccc(Br)cc4n3)cc2)C1 811745531 OPKUGRBFLGVJNV-QGZVFWFLSA-N 439.357 4.311 10 20 IICD C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCNC2=O)cc1 812940519 BUTJSSNNVDPJJF-LBPRGKRZSA-N 437.327 4.179 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 916438114 CZHGQHDTYHSIDE-KXBFYZLASA-N 433.474 4.167 10 20 IICD C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 916497440 JJFNGSJLBTWVDB-VGOFRKELSA-N 437.540 4.193 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OC2CCCC2)cc1 916679883 JDRWSVLGTUMGHH-UHFFFAOYSA-N 427.520 4.430 10 20 IICD CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 919776971 ANXWAUMQFNEWGN-UTKZUKDTSA-N 425.529 4.134 10 20 IICD Cc1cc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c(C)n1-c1cccc(Cl)c1 919981130 ZYIWVBCTBPKEBT-UHFFFAOYSA-N 430.957 4.092 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 920048339 NPYMLFROBVGQSV-GOSISDBHSA-N 445.405 4.183 10 20 IICD C[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)c1ccc(N2CCOCC2)cc1 920866064 VJQXFQRVZYGTBK-QGZVFWFLSA-N 436.533 4.462 10 20 IICD CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 920869151 NOQJALUTGDXGKD-MHECFPHRSA-N 439.556 4.052 10 20 IICD Cc1cc(-c2nnc(-c3cccc(N4CCCS4(=O)=O)c3)o2)c(C)n1-c1ccccc1 1117165722 XNRSYONFEPQTBI-UHFFFAOYSA-N 434.521 4.351 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 25009730 GKVZCBGUNJHYOI-UHFFFAOYSA-N 447.564 4.164 10 20 IICD COc1cc(N(C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc(OC)c1OC 303884705 JNMWMZVNLQIQSK-HSZRJFAPSA-N 430.520 4.335 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(Br)c1 327589719 FTJBPYGLUPQQJG-UHFFFAOYSA-N 427.701 4.008 10 20 IICD CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1 726802206 WQOPTMFWOOQFFZ-XSFVSMFZSA-N 427.547 4.300 10 20 IICD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C(C)C)s3)cc12 727248408 FBCKHJOBFMWYJW-UHFFFAOYSA-N 427.555 4.324 10 20 IICD C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4c(O)ccc5ccccc45)CC3)cc2NC1=O 727424091 BMFFCZJYCXOPBP-MRXNPFEDSA-N 430.504 4.360 10 20 IICD O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1CCc1cccnc1 727864420 VTYIVAMOHLOTDF-DHDCSXOGSA-N 437.449 4.035 10 20 IICD COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2c(c1)C[C@H](C)O2 728439276 GOBBTLYMDYJLRT-QXGSTRBFSA-N 426.563 4.490 10 20 IICD CCCOc1ccccc1Oc1ncccc1CNC(=O)NCc1cc(OC)ccc1O 734066797 YNCCFIJGQKDCSL-UHFFFAOYSA-N 437.496 4.376 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCSC[C@@H]3c3ccccc3)cc2F)C[C@@H](C)O1 734660002 JDCGHDXRWMJUBB-PMAPCBKXSA-N 443.588 4.439 10 20 IICD Cc1cc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)c(C)n1-c1ccccn1 742851062 MKFKCUKHGJWJPG-HNNXBMFYSA-N 428.330 4.449 10 20 IICD CCCN(Cc1ccccc1O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 743081864 KFFHOXJCGWKFHE-UHFFFAOYSA-N 447.601 4.484 10 20 IICD O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743090377 PZGBGWYTEXLDPW-GOSISDBHSA-N 444.482 4.427 10 20 IICD O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N(Cc1ccco1)Cc1ccccc1O 743428965 UCFHOVVLOSTOIH-NRFANRHFSA-N 430.504 4.056 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 746133189 FBDYMEQAMXDORQ-BRWVUGGUSA-N 430.495 4.104 10 20 IICD CCCCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)c1ccccc1 746953005 TYBUMXOPRPTWOR-NZQKXSOJSA-N 436.600 4.461 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2cccc(F)c2)CC1 752896695 WVSRJXXILYTPRT-UHFFFAOYSA-N 429.511 4.015 10 20 IICD CC(C)(C)n1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1ccccc1 754185710 XPHFUAUMTUERLY-UHFFFAOYSA-N 446.595 4.444 10 20 IICD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ncc(Cc4ccccc4)s3)cc2)CC1 756093904 CWVDZNJKSOZRDJ-UHFFFAOYSA-N 448.592 4.225 10 20 IICD C[C@@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O 756517178 NUNKEKYKNCXVPX-BFUOFWGJSA-N 430.417 4.413 10 20 IICD Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 757395547 XGLINEJMRQEBRW-FQEVSTJZSA-N 436.600 4.085 10 20 IICD COc1ccc(C(=O)CC(C)(C)CC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 759378476 GZVHREFJWJLZGX-UHFFFAOYSA-N 438.568 4.478 10 20 IICD O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 759588110 IHDANEYHGFRSAC-QBFSEMIESA-N 447.491 4.136 10 20 IICD O=C(NCc1cccc(Br)c1O)c1cn(-c2ccccc2)nc1-c1cccnc1 765751225 BCSUKPXDSAIKES-UHFFFAOYSA-N 449.308 4.332 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)CC2)cc1 768324593 CNASINFPHKDWNJ-QFIPXVFZSA-N 429.948 4.101 10 20 IICD C[C@@H](NC(=O)N1CCC(c2cccc(F)c2F)CC1)c1ccc(N2CCOCC2)cc1 770359016 NUZYJTBENDCFFI-QGZVFWFLSA-N 429.511 4.452 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1F 771768059 NXXNBRKENPCNOO-UHFFFAOYSA-N 442.369 4.115 10 20 IICD CO[C@H](c1ccc(Br)cc1)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 773429325 MCCCMYGFNMIYCJ-BTYIYWSLSA-N 437.353 4.291 10 20 IICD CS(=O)(=O)C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1 774280032 DSCVTXNAZOEOBJ-NRFANRHFSA-N 430.570 4.022 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)cc1 778316474 CGJNEBCBLZMOSY-UHFFFAOYSA-N 438.597 4.002 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 779136811 IEOHKJZPYUZDAP-UHFFFAOYSA-N 444.526 4.456 10 20 IICD Cc1cc(C(=O)CN(CCO)C2CCOCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 781984362 ZNIITBGDFQYHRI-UHFFFAOYSA-N 425.356 4.057 10 20 IICD Cc1c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cnn1-c1ccccc1 783484514 DPGNVSJKRMGYPS-SFHVURJKSA-N 439.519 4.496 10 20 IICD CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)cc2)CC1 786259972 SZTUYBOAEFNLLV-QGZVFWFLSA-N 447.501 4.184 10 20 IICD COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 790591992 STNWRONBJHLRQK-RMENWYJGSA-N 445.537 4.210 10 20 IICD COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(OC)cc2O)c1 794389247 JJNKZLUCLSOFBE-UHFFFAOYSA-N 429.476 4.192 10 20 IICD COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(Br)c1 794681505 SEIQSLIEUNCLDJ-YBEGLDIGSA-N 435.368 4.297 10 20 IICD COc1ccc(CN2C(=O)/C(=C/c3ccnn3-c3ccccc3OC)SC2=S)cc1 797398738 QIWKRVSRVGEWQN-MOSHPQCFSA-N 437.546 4.291 10 20 IICD CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 800493658 PFHHMNHHJJFNQC-SJORKVTESA-N 436.021 4.335 10 20 IICD C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(N2CCOCC2)cc1 800569309 MGRZDVPMYFJQSX-CQSZACIVSA-N 441.425 4.486 10 20 IICD Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnc(OCc3ccccc3)c2)cc1 800628875 COJWFPDNXCPWLX-UHFFFAOYSA-N 444.535 4.405 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 805318140 FKVWESORKOMMKB-CQSZACIVSA-N 432.348 4.288 10 20 IICD O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 807385193 DSMXPMGIBVFQTG-UHFFFAOYSA-N 441.281 4.202 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 807512900 NWMQRJLOIRUADC-UHFFFAOYSA-N 442.730 4.208 10 20 IICD O=C(NCC(F)(F)F)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 809548244 GMZRKEKYJNCPBG-UHFFFAOYSA-N 431.502 4.140 10 20 IICD COc1cccc(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)c1 918070674 OJQWSSNEYIUMKP-QFIPXVFZSA-N 425.598 4.165 10 20 IICD COc1ccccc1-c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 918139807 DVYGFOPGMBQYNC-HOTGVXAUSA-N 439.487 4.033 10 20 IICD COc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OCCC(C)C 920881979 UAZGGQKOFNKGRU-IBGZPJMESA-N 426.557 4.448 10 20 IICD Cc1cc(OCC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)no1 921157746 CCLNKYOIOABMRJ-HNNXBMFYSA-N 448.422 4.185 10 20 IICD Cc1cc(-c2nnc(CCOc3ccc(S(C)(=O)=O)cc3)o2)c(C)n1-c1ccccc1 1329247944 RVSHVMSPCQWTHT-UHFFFAOYSA-N 437.521 4.169 10 20 IICD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1ccsc1 1816357464 BLFCNDJGKYSRJP-HNNXBMFYSA-N 446.916 4.156 10 20 IICD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)o1 1830736276 AWZBSKBOZWGZEG-GOSISDBHSA-N 446.931 4.200 10 20 IICD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cc1 1842725370 FRZVJQQFBDYXTJ-UHFFFAOYSA-N 441.575 4.462 10 20 IICD Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccc(Br)cc1 22230187 FBAPQNYUMNJNRM-UHFFFAOYSA-N 440.297 4.440 10 20 IICD Cc1ccc(OCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)c1 71933351 RSYFIVOMLJELPQ-UHFFFAOYSA-N 436.474 4.244 10 20 IICD COc1ccc(N2CCCN(Cc3nc(-c4cccc(Br)c4)no3)CC2)cc1 108091719 NALMQRZKPBBZDG-UHFFFAOYSA-N 443.345 4.220 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4Cl)c3)cc2F)C[C@@H](C)O1 109559892 LPXQUIXTSSHQAS-IYBDPMFKSA-N 442.922 4.208 10 20 IICD COCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)sc2cccc(F)c12 302936978 AONLENWSGVCOMB-UHFFFAOYSA-N 442.556 4.326 10 20 IICD CCn1c(SCC(=O)NCc2c(C)c3ccccc3n2C)nnc1-c1cccc(C)c1 471225669 HSZMDSONSKYOIB-UHFFFAOYSA-N 433.581 4.482 10 20 IICD CC(C)(C)c1noc(CCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 726567088 FJNMBLMBIWAAGT-UHFFFAOYSA-N 436.503 4.076 10 20 IICD O=C(NCCc1cccc2cccnc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726610602 LKVDOQWHDNDBLE-UHFFFAOYSA-N 440.494 4.347 10 20 IICD O=C(Nc1ccccc1)C(=Cc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccccc1 727264313 QGRHOSGNJCQAOH-UHFFFAOYSA-N 445.494 4.323 10 20 IICD Fc1cc(CNCCCCN2CCC(Cc3ccccc3)CC2)ccc1N1CCOCC1 731679041 VDAFXEUWTZKISS-UHFFFAOYSA-N 439.619 4.487 10 20 IICD O=C(CCCc1nc(-c2cccs2)no1)N(Cc1ccccc1O)C[C@H]1CCCO1 731858753 MXKCPRXMYKVFTR-QGZVFWFLSA-N 427.526 4.034 10 20 IICD CC[C@H](C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2C)CC1)c1ccccc1 734663547 PLKOXXLSCQYCTF-DEOSSOPVSA-N 436.600 4.045 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1 734701659 LFYTVIVLGPTWAZ-UHFFFAOYSA-N 435.499 4.034 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3ccc(OC(C)C)cc3)cc2)CC1 734862909 KGUSOZAONUYULC-DEOSSOPVSA-N 425.573 4.243 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3cccc(OC(C)C)c3)cc2)CC1 735099352 GVSIPEMYWYNXDB-XMMPIXPASA-N 425.573 4.243 10 20 IICD C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 738513038 FWONVBWKAKXYMZ-OAHLLOKOSA-N 438.465 4.301 10 20 IICD Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 741097355 OUWNRWBHFLQIAN-UHFFFAOYSA-N 427.504 4.418 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(Cn2cccn2)cc1 743126846 LBUCYIPJAUBKRL-UHFFFAOYSA-N 429.318 4.454 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 743159016 LJGRRBDOIJITMK-UHFFFAOYSA-N 431.496 4.224 10 20 IICD C[C@H](Oc1cccc(Br)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 743338902 MKJPLOMXWQCQHB-KXBFYZLASA-N 434.330 4.130 10 20 IICD CCc1ccc([C@H](COC)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 743635124 NWLNVADXHWCSBX-IBGZPJMESA-N 437.487 4.099 10 20 IICD CCOC(=O)N1[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC[C@H]1c1ccc(C)o1 743716948 CCRNRJRNCYKYPA-PMACEKPBSA-N 426.513 4.151 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1F)C1CCCC1 745747840 HEKAKPQHBUDPPY-UHFFFAOYSA-N 429.511 4.456 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)NCC1(c2ccccc2Cl)CCOCC1 745808597 KHETUZAHUBCGIK-UHFFFAOYSA-N 428.960 4.472 10 20 IICD CCc1nnsc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 746273624 LXLNRPPELFZGHE-UHFFFAOYSA-N 448.342 4.310 10 20 IICD COc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)c3cc(OC)ccc3O)cc2)cc1 751317507 GMQCCSULYUEESQ-OAHLLOKOSA-N 429.494 4.241 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)C[C@H]3C)ccc21 752314507 BBYKJMQSZLGOMI-APWZRJJASA-N 443.588 4.280 10 20 IICD CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c2ccccc21 758349238 WTMGKYSUCMFAOF-UHFFFAOYSA-N 428.535 4.193 10 20 IICD COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1OCc1ccccc1 763283350 IZZPNHAVMFZSNM-MRXNPFEDSA-N 437.492 4.055 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccnc1Br 770274794 IIFVARLXZGKPFU-UHFFFAOYSA-N 429.112 4.366 10 20 IICD COc1cc2c(c(OC)c1OC)CCN(C(=O)c1sccc1-n1c(C)ccc1C)CC2 770335216 CJZASMMLWJRDLZ-UHFFFAOYSA-N 440.565 4.422 10 20 IICD COc1ccc(N2CCC(NC(=O)CCc3ccc(C)cc3Br)CC2)cc1 772016904 SJGOSZHUUWVMBY-UHFFFAOYSA-N 431.374 4.484 10 20 IICD CCNC(=O)COc1ccc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1OC 774120938 BYAYFKSDKZGNGU-LBPRGKRZSA-N 427.328 4.073 10 20 IICD C[C@H](c1ccccc1)N(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccccc1O 776011334 SXZUKMGRDLTCAF-LJQANCHMSA-N 449.526 4.003 10 20 IICD Cc1cc(Br)cc([C@@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1O 779040950 QXGFCFBNEPZWEY-OAHLLOKOSA-N 433.346 4.038 10 20 IICD Cc1oc2c(CN3CCN(C4CCOCC4)C[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1 782899728 UPAVYSDYMJDSKB-SFHVURJKSA-N 448.563 4.159 10 20 IICD CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 783017107 OPLCAYGGRQSDHE-HOTGVXAUSA-N 427.504 4.097 10 20 IICD CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)OCC 784029241 CAZDLMFTEMBOLI-UHFFFAOYSA-N 446.569 4.305 10 20 IICD COc1cccc(CN(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)c1O 785992748 UBCDCZLCGOHPLJ-KRWDZBQOSA-N 436.346 4.353 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(O)ccc3C(F)(F)F)cc2F)C[C@H](C)O1 788648265 VWBKQVQLCIAQBC-STQMWFEESA-N 426.410 4.094 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 788955910 XVFZGQBRQICIOM-KRWDZBQOSA-N 430.618 4.257 10 20 IICD COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 790477138 ATQCSTHYKIJCPA-UHFFFAOYSA-N 448.419 4.499 10 20 IICD CCc1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1C 792489130 RFJWTCOUGWCZFC-UHFFFAOYSA-N 437.519 4.041 10 20 IICD C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 797615334 CEWLOHIBSPAEPP-HNNXBMFYSA-N 436.464 4.158 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2Cl)C1 800049802 WJOGDIUSFKCSEP-IRXDYDNUSA-N 449.016 4.400 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCSC[C@H]3c3cnn(C)c3)cc2Cl)C1 800719806 NTGIZVWSSQMCGZ-IERDGZPVSA-N 448.036 4.310 10 20 IICD CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 805318139 FKVWESORKOMMKB-AWEZNQCLSA-N 432.348 4.288 10 20 IICD Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(Oc2ccccc2)c1 807288965 FEFVTDDHOUOBJJ-UHFFFAOYSA-N 441.531 4.096 10 20 IICD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(Cl)cc(Cl)c1O 807837656 ZMCCMXQQOHARLI-LJQANCHMSA-N 448.350 4.180 10 20 IICD CC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)ccc1Br 811704113 VGVCAFXRJHCYPU-UHFFFAOYSA-N 442.331 4.083 10 20 IICD COc1ccc(CSCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] 813683661 YCUXSHQOOCQMOL-UHFFFAOYSA-N 431.297 4.165 10 20 IICD Cc1cc(C)c(O)c(CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 836510838 SOAMYQZMLOFVSB-UHFFFAOYSA-N 446.473 4.396 10 20 IICD CN(Cc1ccccc1OC(F)(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1 916624576 IEMHPEXITKDTQI-UHFFFAOYSA-N 439.503 4.480 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCc4cccnc4)cc3)cc2F)C[C@@H](C)O1 917715729 UDWPKAKBNCWKEQ-KDURUIRLSA-N 449.526 4.343 10 20 IICD COc1ccc(N2CCCN(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 918002563 FKUWAQJLTQCBQY-DEOSSOPVSA-N 439.556 4.085 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 918222795 XFGDPAOLVONWTI-IAGOWNOFSA-N 449.954 4.313 10 20 IICD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)cc1 918434870 VFXRHQKUTUQOPI-UHFFFAOYSA-N 426.517 4.050 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1Cc1ccccc1 918436757 BEECLAGYJJHOIL-UHFFFAOYSA-N 445.588 4.086 10 20 IICD C[C@H](NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 920868432 DPRQMCVYLSJCMZ-INIZCTEOSA-N 437.462 4.324 10 20 IICD COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3c(ncn3-c3ccccc3)C2)CCCC1 929078394 VVOCVKSLDXLODM-UHFFFAOYSA-N 440.547 4.299 10 20 IICD COc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 1319706394 KMHZCGREJCCQLI-UHFFFAOYSA-N 436.375 4.333 10 20 IICD COC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1 1329851925 AILVSCNYDACZAZ-INIZCTEOSA-N 433.455 4.174 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1sccc1Br 71933398 YDDTWAJBWZZQLK-UHFFFAOYSA-N 449.292 4.296 10 20 IICD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cnn(-c3ccccc3)c2)cc1 302819581 VXDGKOCIZDRZNB-VWLOTQADSA-N 432.568 4.079 10 20 IICD CCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)N1CCc2sccc2C1 727110354 KSLSOYUJQLURGI-FQEVSTJZSA-N 436.581 4.034 10 20 IICD CCCN1Cc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c2C1 727615900 PEDVLEOGAREGSM-UHFFFAOYSA-N 448.611 4.436 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc21 728459728 BTQPWCQJVKELRC-HXUWFJFHSA-N 449.551 4.066 10 20 IICD Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1[N+](=O)[O-] 728839240 JDBIJQNSDORTTL-UHFFFAOYSA-N 440.378 4.082 10 20 IICD COc1ccc(N2CCC(NC(=O)NC[C@@H](C)CSc3ccccc3OC)CC2)cc1 728958257 ZAHFGLPFUZVSJD-GOSISDBHSA-N 443.613 4.400 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)cc1 730666753 LFLIPWOTAKDTJL-UHFFFAOYSA-N 441.532 4.021 10 20 IICD C[C@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ccc(Br)cc1Br 732354858 UGWZAXFAHSVZTB-ZETCQYMHSA-N 449.120 4.163 10 20 IICD CCN1CCN(c2ccc(CNC(=O)Nc3cccc(Oc4ccncc4)c3)cc2F)CC1 732699174 AILLJIJANJWHNP-UHFFFAOYSA-N 449.530 4.477 10 20 IICD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(-n4cccn4)n3)c2C)cc1F 736934059 SUQXNFHYKCZGAH-UHFFFAOYSA-N 432.455 4.162 10 20 IICD CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)cc2)CC1 742071970 XLENRCULXZVUAN-MHZLTWQESA-N 433.596 4.482 10 20 IICD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(F)c3C)cc2)cc1 743249083 GCQALBGXBJOJAV-UHFFFAOYSA-N 434.514 4.044 10 20 IICD COC(=O)c1cccc(-c2nc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cs2)c1 744402736 RYHCKPQPLLDOHF-OAQYLSRUSA-N 438.549 4.484 10 20 IICD Cc1cnc([C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C2CC2)s1 745865815 AGGYBTAPMPKEPR-CRAIPNDOSA-N 436.528 4.472 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)cc(Br)c1 747421568 WLUFAKLTIMGMDT-UHFFFAOYSA-N 441.728 4.133 10 20 IICD CC[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1 752295604 GSXYKSXHJMBDOB-NQIIRXRSSA-N 447.501 4.217 10 20 IICD COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(Br)cc(Cl)c2O)C1=O 756741535 GIRFLDJYRVZRBQ-IAQYHMDHSA-N 439.737 4.273 10 20 IICD CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(Br)cc(F)c1O 756770794 XEZZJYVKPGZSIY-OCCSQVGLSA-N 430.339 4.197 10 20 IICD C[C@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 759765544 CFYUVIJHZZFWBC-QGZVFWFLSA-N 446.389 4.058 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1ccc(Cl)cc1 765295401 DTDMKCLEHGNELB-QGZVFWFLSA-N 439.991 4.289 10 20 IICD O=C(CSc1cccc(Br)c1)NCc1cccc(Br)c1O 765758579 ZPILJJVIGWYCAX-UHFFFAOYSA-N 431.149 4.326 10 20 IICD COc1ccc(N2CCC(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)CC2)cc1 768940556 MUVAHBKDLBXKQR-UHFFFAOYSA-N 441.547 4.194 10 20 IICD Cc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1NC(=O)CN1CCCCC1 770541726 VBTQTFBXYMCHTO-UHFFFAOYSA-N 432.908 4.299 10 20 IICD C[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc(Cl)c(Cl)cc1O 774174131 PACRVRPSCLKEMB-RHSMWYFYSA-N 436.383 4.247 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1O 774934852 AZZWAHVSFDNOHW-UHFFFAOYSA-N 433.464 4.053 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c(C)c1 775209063 QZJFJLOAOXNEMQ-UHFFFAOYSA-N 431.539 4.195 10 20 IICD CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OCc4cccs4)c3)c2)CC1 781048056 UBBKJWVOVAMEQA-UHFFFAOYSA-N 435.549 4.248 10 20 IICD Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 782895736 HYGBCZSMGSUZKO-UHFFFAOYSA-N 426.561 4.014 10 20 IICD COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1OC(C)C 784107863 BVEVYVLFHAASRA-UHFFFAOYSA-N 425.529 4.227 10 20 IICD O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)N(Cc1ccco1)Cc1ccccc1O 785922203 IPKLMTLJEHINKR-OAQYLSRUSA-N 425.529 4.021 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)C[C@@H]3C)c2C)c1 785976955 XHCKZSGTXHJUSK-IBGZPJMESA-N 441.641 4.184 10 20 IICD C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(N2CCOCC2)c(F)c1 786953238 JISVTSPXFINPBB-APWZRJJASA-N 448.380 4.354 10 20 IICD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 788714554 TWRIHSIIVNTWRA-KRWDZBQOSA-N 442.466 4.284 10 20 IICD CCCOc1cc(OC)ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 788782424 MHDXKGXZWNYEHJ-UHFFFAOYSA-N 434.483 4.484 10 20 IICD Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 789332333 VATGPMRYDZQVAL-HDICACEKSA-N 437.519 4.255 10 20 IICD O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 789855492 OQJLBRKFYOGKJI-SWRMPZFOSA-N 439.309 4.369 10 20 IICD CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2ccccc2c(OC)n1 791249549 HTSXNUYHQNJFKR-UHFFFAOYSA-N 435.524 4.246 10 20 IICD C[C@H](NCCCNC(=O)/C=C\c1ccccc1)c1ccc(N2CCOCC2)cc1Cl 800507156 ULWFEGHTFHIPOY-POGDKVGISA-N 427.976 4.047 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 801619139 CUXZDPGXZDPRHR-UHFFFAOYSA-N 425.529 4.007 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC 801640081 JDSAUHVQASXJSD-UHFFFAOYSA-N 447.557 4.133 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2noc(C(F)F)n2)cc1 806506316 PGOQREBHECICFA-UHFFFAOYSA-N 430.480 4.157 10 20 IICD CCOC(=O)c1cc(NCc2cc(Br)cc(Br)c2O)cn1C 809754862 CIFSKRSMUIYUPU-UHFFFAOYSA-N 432.112 4.045 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C1(Cc2cccc(F)c2)CCOCC1 814535422 CUQNAQLXESQPDB-UHFFFAOYSA-N 428.573 4.035 10 20 IICD O=C1N=C(S[C@@H]2CCN(C3CCOCC3)C2=O)S/C1=C\c1csc2ccccc12 814772137 OMBMTBLJBWTUTR-LVSMMTLPSA-N 444.603 4.385 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2cccnc12 906372537 HSVWADDRZXYTDO-UHFFFAOYSA-N 426.479 4.376 10 20 IICD CC(C)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914506002 KKDPSXWAOSSFFH-GDNBJRDFSA-N 441.416 4.203 10 20 IICD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)cc1 915290369 VDFGQEWFMCDPFG-UHFFFAOYSA-N 426.878 4.190 10 20 IICD COc1ccc(N2CCN(C(=O)CSCc3coc(-c4cccc(F)c4)n3)CC2)cc1 917952847 IDUPEZMHJWHHKK-UHFFFAOYSA-N 441.528 4.071 10 20 IICD CCCCOc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918204576 KVTJRSKXJVLTGC-UHFFFAOYSA-N 443.563 4.008 10 20 IICD Cc1cc(C(=O)COC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(C)n1-c1ccc(C(C)(C)C)cc1 919019961 HEARSMZNOOJXGT-SFHVURJKSA-N 443.565 4.066 10 20 IICD Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC[C@H]2CCCO2)c1 919910968 DZKZTFRZXAMKGT-LEWJYISDSA-N 440.540 4.472 10 20 IICD O=C(/C=C/c1cccs1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788426905 ZRQJUDFRMUEOLE-CMDGGOBGSA-N 435.505 4.015 10 20 IICD Cc1ccoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737215 LGRHHGACIOVZHB-SFHVURJKSA-N 446.931 4.200 10 20 IICD COc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c1 1844911237 UJWMBNTYKPGPTP-UHFFFAOYSA-N 443.547 4.234 10 20 IICD Cc1oc(C(C)(C)C)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500939 HJWADFWFDYQTIM-UHFFFAOYSA-N 446.931 4.081 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)c1 14178162 PHTGEHNOLNLBFO-PYJSORCASA-N 441.530 4.348 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CNc3cccc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1 111072329 XQKQHMJKAZAFHJ-GASCZTMLSA-N 439.453 4.186 10 20 IICD Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCc2ccc(O)c(O)c2)c1 216630225 ZHTRSJPPPJSTDU-UHFFFAOYSA-N 431.467 4.371 10 20 IICD CCCN(Cc1ccccc1O)C(=O)CCCCCn1c(S)nc2ccccc2c1=O 727170037 DHJGIERGQXJKTH-UHFFFAOYSA-N 439.581 4.390 10 20 IICD Cc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1cccc(Cl)c1Cl 727176309 JIMDYKNPUIIPSM-AUWJEWJLSA-N 440.377 4.087 10 20 IICD Cc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)n1C[C@@H]1CCCO1 727176847 QLQJHWWOQAQWLE-PYJSORCASA-N 435.659 4.073 10 20 IICD CC(C)Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)cc1 727249226 UHPGDECUUUORAX-UHFFFAOYSA-N 443.550 4.254 10 20 IICD C[C@H]1C[C@H](C)CN(Cc2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)cc2)C1 727466704 DAHNFECLPZGKHA-SFTDATJTSA-N 425.592 4.430 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C(=O)N(C)C)c3)c2C)cc1 728642265 UYFLFBREGDXHEP-UHFFFAOYSA-N 448.519 4.234 10 20 IICD CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(F)cc1F 731036134 GFYNZDYEGVSNFO-UHFFFAOYSA-N 431.483 4.381 10 20 IICD C[C@@H](c1ccccc1)N1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 734946806 OGOKELOQYOXBDG-GBXCKJPGSA-N 437.584 4.308 10 20 IICD CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1F 737380450 IKQMVKCSEXMQGA-UHFFFAOYSA-N 431.470 4.455 10 20 IICD COc1ccccc1O[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743692302 WNKBWBJNSYIKDR-IAGOWNOFSA-N 449.498 4.032 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)CC2)cc1 746728740 JVZCMEUJCCQGCF-UHFFFAOYSA-N 439.947 4.338 10 20 IICD C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)C1 749731209 LTSOYVJQEYEBTL-QFBILLFUSA-N 447.626 4.476 10 20 IICD C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1c(Cl)cccc1Cl 751096687 GOEXDBOYOPHEIN-GDBMZVCRSA-N 434.367 4.115 10 20 IICD O=C(COc1ccc(F)cc1Br)Nc1c(-c2ccccn2)nc2ccccn12 751301322 CILNTFZUYLSZFY-UHFFFAOYSA-N 441.260 4.315 10 20 IICD O=C1CCc2cc(OCCCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)ccc2N1 751305477 GDMODVZHKNASNX-UHFFFAOYSA-N 441.491 4.079 10 20 IICD O=C(/C=C/c1ccc(I)o1)N(Cc1ccco1)Cc1ccccc1O 752087544 UYKHANYSLYGABU-CSKARUKUSA-N 449.244 4.425 10 20 IICD CCOC(=O)c1c(NC(=O)CN[C@H](C)[C@H]2CCCOC2)sc(C)c1-c1ccccc1 754570896 UJLOAKPWSQZWDI-QAPCUYQASA-N 430.570 4.243 10 20 IICD C[C@@H](NC[C@@H](O)COc1ccccc1)c1cc(Br)cc(Br)c1O 756395586 DFFCDQINZGNYFC-DGCLKSJQSA-N 445.151 4.008 10 20 IICD Cc1ccc([C@@H](C)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c(O)c1 756456807 INGABIWGUBUDAZ-QGZVFWFLSA-N 428.529 4.169 10 20 IICD C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)[C@@H](C)NC(=O)OC(C)(C)C 756463592 UKMLHPCQQODUEF-ZWKOTPCHSA-N 429.561 4.424 10 20 IICD CCC(=O)c1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1F 756972298 ILAPIXOSGJVECU-UHFFFAOYSA-N 433.483 4.163 10 20 IICD CCOc1ccccc1NC(=O)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 759578777 JVBQVWFXHZPDFZ-NNRIVUTJSA-N 433.460 4.433 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Br)cc2cccnc12 759691290 VXDQIALDJWNRDR-UHFFFAOYSA-N 426.358 4.466 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncoc1-c1ccc(F)cc1 771419600 YPLRMUYPELHKHH-GOSISDBHSA-N 429.879 4.234 10 20 IICD Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cccc1-c1nnc2n1CCCCC2 771851656 QXDITXHBQXSJJS-UHFFFAOYSA-N 430.600 4.344 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(OCc2cscn2)c1 771966926 RHJNVFFBWPMYPZ-UHFFFAOYSA-N 429.885 4.050 10 20 IICD CCOC(=O)c1c(NC(=O)[C@H]2CCN(C(=O)CC)C2)sc(C)c1-c1ccc(F)cc1 772975322 MZYWMZYECAEDCU-HNNXBMFYSA-N 432.517 4.236 10 20 IICD CCC(=O)[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 773538610 OJTDIYRYHJVYJS-XOAFGZPJSA-N 436.624 4.090 10 20 IICD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773844862 CZMBPIXEJRQGTM-SFHVURJKSA-N 447.583 4.360 10 20 IICD C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(N(C)C)cc1 773995421 UZMRFNGEHFPEAR-SFHVURJKSA-N 426.520 4.002 10 20 IICD C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1cccc(Br)c1O 775146899 RKYBOAABCQMFOH-ZDUSSCGKSA-N 425.754 4.335 10 20 IICD COc1ccc(N2CCN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)cc1 783708291 QJSAYMLGTLJUOE-UHFFFAOYSA-N 431.414 4.331 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4cc(Br)ccc43)cc2)C1 794795901 JLKGGVWAEHBEFJ-PGRDOPGGSA-N 442.401 4.318 10 20 IICD COc1ccc(N2CCCN(C(=O)c3ccc(-c4noc(C(F)F)n4)cc3)CC2)cc1 806538829 VWJYCFOXVORRSD-UHFFFAOYSA-N 428.439 4.035 10 20 IICD O=C(CCn1c(S)nnc1-c1cccs1)NCc1cc(Cl)cc(Cl)c1O 807839195 YRCONQMKQZUXAG-UHFFFAOYSA-N 429.354 4.014 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(C(=O)CCc2ccccc2)CC1 807839987 OPRPZFAIYFVXHT-UHFFFAOYSA-N 435.351 4.187 10 20 IICD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccc(Cl)c1Br 808525721 GHGWLVPMGYDRPZ-UHFFFAOYSA-N 430.736 4.422 10 20 IICD C[C@H]1CN(C(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)C[C@@H](C)O1 814771257 NJIWXGFMDNIXDQ-KVUXKXQGSA-N 432.592 4.241 10 20 IICD CC(C)(C)NC(=O)NC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772815 FPOGOINIUSVINM-ZSOIEALJSA-N 433.580 4.229 10 20 IICD C[C@@H](NC[C@H](O)COc1ccccc1Br)c1cccc(C(F)(F)F)c1O 815596421 TXDQRIFYHFXFHS-NEPJUHHUSA-N 434.252 4.264 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cl)c3N(C)C)cc2F)C[C@@H](C)O1 916682252 IDLYAYKFPCDOIN-HUUCEWRRSA-N 434.943 4.480 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)C2CC2)cc1 918058132 WDMPNEDIBGMNGV-UHFFFAOYSA-N 429.948 4.442 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccc(Cl)s3)cc2F)C[C@@H](C)O1 918221636 QKODAKCGJMYWOQ-ZIAGYGMSSA-N 425.957 4.496 10 20 IICD O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1 920212658 FZGJJZFIFUOQIQ-UHFFFAOYSA-N 439.537 4.001 10 20 IICD COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC(F)F 920872327 SCXMVRZHYTXLAP-INIZCTEOSA-N 449.498 4.036 10 20 IICD C[C@@H](COc1ccccc1F)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1115958655 HMUNRFDTZXDIDM-HNNXBMFYSA-N 437.462 4.163 10 20 IICD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1 1318206720 ZVJYQHQVVCWBNC-INIZCTEOSA-N 445.972 4.147 10 20 IICD COc1cccc(NC(=O)NCc2cccc(Br)c2O)c1Br 1324639392 UXBMLMOIOYIGCR-UHFFFAOYSA-N 430.096 4.248 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cc(C)c(Br)c(C)n3)CC2)cc1 1338326699 PVKCHAYKBFZGTB-UHFFFAOYSA-N 433.350 4.260 10 20 IICD Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)on1 1790775587 DOOYZMLQJYMQGD-UHFFFAOYSA-N 441.871 4.109 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@H]2C2CC2)C3)cc1 1800512300 UAAIBQWWSUHARJ-JQZXIOIQSA-N 431.580 4.392 10 20 IICD CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1806332944 SYWYXECESRIMPQ-WIOPSUGQSA-N 430.552 4.219 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)nc2)C3)cc1 1845397757 PSDFEXSKAWKNOV-UHFFFAOYSA-N 448.954 4.273 10 20 IICD O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCc2sccc2C1 11646866 SWZUWMVSTSJKES-IBGZPJMESA-N 439.606 4.468 10 20 IICD CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 15571716 FOBPUYVPEWYDCA-UHFFFAOYSA-N 443.591 4.203 10 20 IICD CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 18975071 DWUFKZQWPRALJH-UHFFFAOYSA-N 437.613 4.254 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1csc(-c2ccco2)n1 71933348 SGJVVHAFXVFTAB-UHFFFAOYSA-N 437.443 4.189 10 20 IICD COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1 109715554 MCQDAPCVIFOMQH-RTWAWAEBSA-N 429.358 4.300 10 20 IICD COc1ccc(N2CCC(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)CC2)cc1 110422855 YKRHIFZIHNVRKL-UHFFFAOYSA-N 446.576 4.399 10 20 IICD CCN(CC)c1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1F 236965529 BGYLOMNERCUGQR-RTBURBONSA-N 427.564 4.211 10 20 IICD Cc1cc(-c2nc(Cc3nccc4ccccc34)no2)ccc1NC(=O)C1=S=CC=C1 445529534 VYKBQKWAXYROCM-UHFFFAOYSA-N 426.501 4.400 10 20 IICD Cc1ccc(OC[C@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726614504 RMKOLENZFBSXSE-KRWDZBQOSA-N 433.499 4.332 10 20 IICD CSCCCN1C(=O)/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)SC1=S 728610819 NUUWCJBAUCSGHE-NVNXTCNLSA-N 436.605 4.493 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)cc1)C1CCCCC1 730388744 JXBWTKKNKHTCOE-UHFFFAOYSA-N 449.530 4.035 10 20 IICD O=C(CN(Cc1ccco1)Cc1ccccc1O)NCc1ccc(F)cc1C(F)(F)F 732202471 RMJATLIQVWQYBU-UHFFFAOYSA-N 436.405 4.462 10 20 IICD CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3cccc(OC(C)C)c3)cc2)CC1 735099349 GVSIPEMYWYNXDB-DEOSSOPVSA-N 425.573 4.243 10 20 IICD CCOc1c(OC)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 735328962 HGAFTTXTQJVBAW-NVMNQCDNSA-N 445.518 4.237 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(CCCc2ccccc2)cc1 741096717 CVFSHLPHGYGMQN-UHFFFAOYSA-N 439.559 4.493 10 20 IICD CC1CCN(c2ccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)cc2)CC1 741280455 VDFZYCAKPWRFKW-OAQYLSRUSA-N 430.593 4.025 10 20 IICD CN(c1ccc(CNC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1)C1CCCCC1 742760822 VQJNZOYJYUFJAU-UHFFFAOYSA-N 428.621 4.292 10 20 IICD C[C@@H](NC(=O)Nc1c(F)cc(Br)cc1F)c1ccc(N2CCOCC2)cc1 743214301 GYLUEYMRLREDIQ-GFCCVEGCSA-N 440.288 4.447 10 20 IICD CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 743338311 DXQXWRGBXMRPKF-JOCHJYFZSA-N 438.568 4.332 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)NC(=O)CCS2 743808719 COSYHDVOXYLAIF-UHFFFAOYSA-N 435.343 4.251 10 20 IICD O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 743958013 HFEYFOVVFNCKSV-UHFFFAOYSA-N 426.822 4.198 10 20 IICD COc1ccc(N(CC(=O)NCCc2nc3ccccc3s2)Cc2ccco2)cc1F 744404877 ZJVSDZOIKMDSMW-UHFFFAOYSA-N 439.512 4.403 10 20 IICD CC1(C)CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 746975753 ZVQLAOPHERAWTN-JOCHJYFZSA-N 425.548 4.399 10 20 IICD C[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(N2CCOCC2)cc1 748993520 ALYJAQYUCHOKFJ-QGZVFWFLSA-N 434.496 4.251 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC(F)(F)F)C1CCCC1)c2[N+](=O)[O-] 749138341 QSNDDVAPXWHIKJ-UHFFFAOYSA-N 446.381 4.317 10 20 IICD CCS[C@H]1CCC[C@@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751071075 SPBBZZOOIVLBHD-HIFRSBDPSA-N 440.612 4.049 10 20 IICD C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(N2CCOCC2)cc1 751369868 TVDJVJIVWTXECK-KRWDZBQOSA-N 434.540 4.185 10 20 IICD O=C(NCc1nccn1CCCc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 751810280 QIFCRDMDZSULGU-HSZRJFAPSA-N 448.567 4.112 10 20 IICD Cc1cc(C(=O)COC(=O)c2scnc2Br)c(C)n1-c1cccc(F)c1 754964705 LRARFSTYCWYQTP-UHFFFAOYSA-N 437.290 4.492 10 20 IICD C[C@H](NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cc(Br)cc(F)c1O 756458000 ITWMTZXLYBXCER-CABCVRRESA-N 437.353 4.365 10 20 IICD C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(Cl)c1O 757655715 FYJGEQYRGFZUGZ-PXAZEXFGSA-N 438.753 4.045 10 20 IICD Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2F)c(Br)c1 758171437 SQKSUFOBOZINNZ-UHFFFAOYSA-N 439.100 4.166 10 20 IICD O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3ccc(F)cc3)no2)c1)c1cccs1 758288610 DLXGZMCSDJZUFT-UHFFFAOYSA-N 431.470 4.034 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 760854482 ASKLKNGYYFAEKJ-UHFFFAOYSA-N 430.961 4.094 10 20 IICD C[C@H](NCCCSc1nccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 766072229 OMBMMYWPHSJBGU-HNNXBMFYSA-N 437.612 4.048 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 768921997 CNMBXBQHKWVOHD-UHFFFAOYSA-N 427.495 4.190 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc2c1CCN2C(C)=O 769249711 GGUBESODIGWMAC-UHFFFAOYSA-N 432.318 4.118 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1OC1CCCC1 770251135 BYGFTSIFTGUGMA-UHFFFAOYSA-N 425.504 4.002 10 20 IICD Cc1cc(C(=O)CN(C)CCc2cnccn2)c(C)n1-c1ccc(Br)cc1 771459808 INWNRZDDCDBPNL-UHFFFAOYSA-N 427.346 4.004 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)N(C)C)cc1OC 772949934 ZNXBXKBFRGMVNW-VGOFRKELSA-N 448.007 4.147 10 20 IICD CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773854492 CDKWRVDCKZYIAZ-AWEZNQCLSA-N 448.361 4.118 10 20 IICD CN(c1ccc(CNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)cc1)C1CCCCC1 774194461 GGOAOBMJQIYVLV-QHCPKHFHSA-N 443.613 4.041 10 20 IICD CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 775482018 HDTQMRNZAJDOLZ-INIZCTEOSA-N 429.542 4.423 10 20 IICD C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 775834963 XGAWNSGQSPMKHC-GJZGRUSLSA-N 439.541 4.462 10 20 IICD C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(N2CCOCC2)cc1 776068170 PBILIGIMJNLIJZ-GOSISDBHSA-N 448.567 4.095 10 20 IICD Cc1oc2c(CN3CC[C@@H](n4cncn4)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl 776774329 KOJSEQWSHWNZIF-OAHLLOKOSA-N 436.899 4.166 10 20 IICD Cc1cc(Br)cc([C@@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1O 779022140 MTSJYRBHMNCBIQ-UTKZUKDTSA-N 432.406 4.102 10 20 IICD CN1CCCc2cc(CNC(=O)N3CCC(COc4ccc(Cl)nc4)CC3)ccc21 788930031 YVNXVKZDSAXMRH-UHFFFAOYSA-N 428.964 4.118 10 20 IICD COc1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)c(OC)c1OC 790590086 IWVQEFNDLQVACH-SFQUDFHCSA-N 433.526 4.295 10 20 IICD CCc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C 792487110 FILXUALWGCHDOU-UHFFFAOYSA-N 433.556 4.244 10 20 IICD COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 798156372 GRGCWPRGYRMTMK-UHFFFAOYSA-N 435.502 4.025 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnn(C)c3Br)cc2Cl)C1 800049651 SNARQAPQDSDJHF-GFCCVEGCSA-N 425.758 4.002 10 20 IICD O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)N(Cc1ccco1)Cc1ccccc1O 806746591 HNMQGVCAQFUTTA-UHFFFAOYSA-N 437.427 4.012 10 20 IICD CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)c1O 812885373 PLYKEBDYYDYBRP-LBPRGKRZSA-N 440.309 4.108 10 20 IICD CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c(F)c1 914791224 MBFATOBOVIFSOV-UHFFFAOYSA-N 431.470 4.455 10 20 IICD Cc1cc2occ(CC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2cc1C(C)C 917832208 NLVFFHBNZUZAND-FQEVSTJZSA-N 447.579 4.425 10 20 IICD Cc1cccc([C@H]2CCCN2CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 917833723 NIWFPMASJKBMHU-JXALWOEJSA-N 439.575 4.201 10 20 IICD CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918048331 SFVZJRAALAPENY-OKILXGFUSA-N 448.926 4.373 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918321787 KVPFTEQUDDATRA-UHFFFAOYSA-N 431.989 4.170 10 20 IICD CCN(CC)c1ccc(CNC(=O)N(Cc2cccc(OC)c2)C[C@H]2CCCO2)cc1 920811331 BIKFFXVWOJEBNY-XMMPIXPASA-N 425.573 4.432 10 20 IICD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)o1 1845399274 IWPOREREAXIKCO-UHFFFAOYSA-N 431.536 4.055 10 20 IICD CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 18215375 KGMVUMLDYZOBQC-UHFFFAOYSA-N 443.956 4.137 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@H](c3cccc(OC)c3)c3nccn3C)c2C)cc1 29813908 QKCZLAQIMIPHTL-XMMPIXPASA-N 444.535 4.364 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2C)cc1 109190522 IHQIJNVJOBEMRT-IBGZPJMESA-N 433.552 4.430 10 20 IICD Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c1C 110912801 QSIZLCAAUBOXBE-JOCHJYFZSA-N 444.579 4.352 10 20 IICD Cc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(C)n1-c1ccc(C#N)cc1 303223435 WAAZINDGOHITCR-UHFFFAOYSA-N 428.414 4.232 10 20 IICD CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 303796123 RKIAHOOFMQYUGR-VGOFRKELSA-N 431.964 4.094 10 20 IICD O=C(Nc1cccc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1I 323874353 SJTLRESEEDDIPJ-UHFFFAOYSA-N 437.237 4.052 10 20 IICD O=C(COc1ccccc1CNCc1cc(-c2ccccc2)ccc1O)NC[C@@H]1CCCO1 725848411 SKJAEAZAXSLRCA-DEOSSOPVSA-N 446.547 4.023 10 20 IICD COc1ccc(C)cc1/C=C1/SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O 726802111 SWWNEELWJZJIKA-DEDYPNTBSA-N 427.547 4.219 10 20 IICD CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cc(Cl)c3c(c2)OCCCO3)SC1=S 727176086 GGMFWGVFULXHEB-MHWRWJLKSA-N 441.018 4.290 10 20 IICD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](COc1ccccc1)c1ccccc1 730900653 BAPIMZRFAYMDCS-DEOSSOPVSA-N 449.526 4.282 10 20 IICD Cc1cc(C(=O)COC(=O)CNC(=O)c2c(F)cccc2Cl)c(C)n1-c1ccccc1 731082129 MNXSAGVESLGDER-UHFFFAOYSA-N 442.874 4.043 10 20 IICD COc1ccc(N2CCCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)CC2)cc1 733845407 QEKNYJKVXCIQKT-UHFFFAOYSA-N 435.553 4.381 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 734687828 VSLNWJMAVXHAQI-UHFFFAOYSA-N 449.624 4.212 10 20 IICD COCC[S@](=O)Cc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 735175272 DGJJAPIPDHBZPQ-HKBQPEDESA-N 443.613 4.140 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)CC2)cc1 741544492 RLZVCXPPGBHECX-UHFFFAOYSA-N 437.584 4.166 10 20 IICD O=C1CCc2cc(F)c(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2N1 743092407 YMAJCETYWDYSTH-AWEZNQCLSA-N 448.445 4.102 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OCCOC)c(F)c1 743121350 LYJDXUXAZOHZAZ-UHFFFAOYSA-N 441.297 4.373 10 20 IICD CN(Cc1ccccc1O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 743191375 GQQSWLNZQJIZRI-UHFFFAOYSA-N 429.318 4.258 10 20 IICD CNC(=O)Cn1ccc2ccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)cc21 743206000 XYIPLMDBHUZBMO-UHFFFAOYSA-N 434.540 4.460 10 20 IICD CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 743322250 LZBVXIRYNQZTQS-GOSISDBHSA-N 434.540 4.029 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(CSc2nc[nH]n2)cc1 743809093 MWYNTFKJYMSERA-UHFFFAOYSA-N 447.358 4.227 10 20 IICD CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 743873039 GZWAAASLJBLUKH-KDOFPFPSSA-N 433.346 4.005 10 20 IICD CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 743900584 MRJBHKIZEKBETE-UHFFFAOYSA-N 431.989 4.478 10 20 IICD CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)cc1 747419145 IZVRGPDKBUJWIS-LJQANCHMSA-N 437.462 4.166 10 20 IICD C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)cc(F)c1O 756572085 IWCWRYIUENAFBL-HNNXBMFYSA-N 443.494 4.276 10 20 IICD Cc1ccc([C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 756618126 RHBYOWYYTCVCOX-MWTRTKDXSA-N 440.521 4.453 10 20 IICD C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(c2ccncc2)CC1 759927247 CNPWAPIGRJGPEO-QGZVFWFLSA-N 439.515 4.064 10 20 IICD COc1cc(N2CCN(Cc3ccc(F)cc3C(F)(F)F)CC2)cc(OC)c1OC 761219445 QANRTDOXPXMYCV-UHFFFAOYSA-N 428.426 4.193 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 761799490 PSSLPXQAWUSRSS-ZDUSSCGKSA-N 445.317 4.497 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1NCc1ccccc1 763941579 YPROAKLVZBQGFD-UHFFFAOYSA-N 433.527 4.329 10 20 IICD COc1ccsc1S(=O)(=O)Nc1nc(-c2ccccc2)c(Br)s1 764534280 YOTHMOHSGSHXSR-UHFFFAOYSA-N 431.358 4.444 10 20 IICD C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(N2CCOCC2)c1 765126651 LNZUMMCQOIINOK-AQNXPRMDSA-N 427.564 4.127 10 20 IICD O=C(c1ccc(CN2CCC(CO)CC2)cc1)N(Cc1ccco1)Cc1ccccc1O 765167694 YIZFAMOFTJPKLX-UHFFFAOYSA-N 434.536 4.032 10 20 IICD COc1cc(Br)cc(NC(=O)NCc2cccc(Br)c2O)c1 765327066 LLZNGKQSGOVLSE-UHFFFAOYSA-N 430.096 4.248 10 20 IICD COc1ccccc1[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1 769203810 ULTVQMAWPPUKRR-DVECYGJZSA-N 436.508 4.474 10 20 IICD CC[C@H](C)n1c(SCC(=O)NCc2cc(OC)ccc2O)nnc1-c1ccccc1 769543131 NVEJLPBBQXWQEU-HNNXBMFYSA-N 426.542 4.039 10 20 IICD CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 769923698 MROMZCMDZUKJFT-UHFFFAOYSA-N 442.503 4.139 10 20 IICD COc1c([N+](=O)[O-])ccc(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1O 774929284 DDIKRZMMFKOAGU-UHFFFAOYSA-N 447.491 4.443 10 20 IICD CCc1c([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)oc2ccc(C)cc12 776158399 TVCHBQXMKQYSJM-GOSISDBHSA-N 426.582 4.389 10 20 IICD CCS(=O)(=O)c1ccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 777205458 HVAXGOVUWYZDRW-UHFFFAOYSA-N 444.984 4.400 10 20 IICD O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 779498287 OYYJKXXVWMVOBJ-UKTHLTGXSA-N 443.547 4.068 10 20 IICD COc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1S(=O)(=O)N1CCCC1 780754347 NEZAMEGQYZTHKA-UHFFFAOYSA-N 429.586 4.082 10 20 IICD C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccc(OC(F)F)c1 787852482 BHTZUGYDGVILAU-KRWDZBQOSA-N 445.510 4.114 10 20 IICD C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc(C(F)(F)F)c1O 788820472 VMLREEHRLVXWLG-WHEQGISXSA-N 447.457 4.487 10 20 IICD O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 788896802 QWRUNEIUOBJELP-CYBMUJFWSA-N 434.316 4.208 10 20 IICD Cc1ccc([C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 798088205 JWEALAIXMYJLKF-FDDCHVKYSA-N 445.585 4.158 10 20 IICD C[C@H](NCc1ccc(I)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 800500871 ZQYBYSPUAGALJY-VIFPVBQESA-N 432.645 4.409 10 20 IICD Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 800636813 OEYBFLPEFCFXFA-CYBMUJFWSA-N 435.355 4.188 10 20 IICD C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 806494218 NDJKJMBAEUGXGF-ZFJSRUIDSA-N 434.584 4.071 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806744513 CKHYFUKCYPCLDF-UHFFFAOYSA-N 438.503 4.133 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(-c2ccccc2)c1 806854257 WZXUTRKSKQBYPO-UHFFFAOYSA-N 431.561 4.162 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 813685119 CAIUDOXEVBSUFG-HNNXBMFYSA-N 445.755 4.184 10 20 IICD CN(C)c1ccc(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1F 816543486 CPZDGBNQOUSFMW-UHFFFAOYSA-N 433.955 4.141 10 20 IICD Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c(O)c1O 816820164 BHXXHBXWSJRMDQ-JOCHJYFZSA-N 431.536 4.108 10 20 IICD COc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1OCc1ccc(Cl)cc1 916591572 WLNQZZNIFFHXED-UHFFFAOYSA-N 442.851 4.379 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 916704634 FAJPHIIBOULLTP-UHFFFAOYSA-N 434.565 4.398 10 20 IICD O=C(CSc1c(Cl)cccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 917164107 KUDPLOXCLUCPCH-UHFFFAOYSA-N 429.344 4.378 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 917310126 SQGPANQOXSMSPP-UHFFFAOYSA-N 430.913 4.119 10 20 IICD Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)c(C)c1 917846755 XYVCUFVJBVZGNV-UHFFFAOYSA-N 429.567 4.238 10 20 IICD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 918268138 YVSVOSIJIZXXOP-UHFFFAOYSA-N 442.563 4.178 10 20 IICD CCN(Cc1ccccc1F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1116446809 JHABYSDWHGKIKM-UHFFFAOYSA-N 434.514 4.056 10 20 IICD CNS(=O)(=O)c1cccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1C 1319395714 XJUMQUNUCWUIQP-UHFFFAOYSA-N 431.945 4.216 10 20 IICD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)c1cccs1 1788429297 DBYURVNVDPFSLX-CQSZACIVSA-N 437.521 4.106 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccoc3Cl)C2)cc1 1844844735 XXSBNDIZHYUBHS-UHFFFAOYSA-N 437.927 4.471 10 20 IICD COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc3c(c2)OCCO3)cc1 216312249 YMZLZCKPACKLEG-UHFFFAOYSA-N 432.520 4.308 10 20 IICD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c(C)c1 302812958 UBXQQTPGSBFHIN-UHFFFAOYSA-N 427.551 4.355 10 20 IICD CC1CCN(c2ccc(NC(=O)CCC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)CC1 303280895 IOUWDBAJAAGVOD-UHFFFAOYSA-N 440.563 4.163 10 20 IICD Cc1ccc(CNC(=O)C2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1 472222594 MJPGZYDGEZXTDO-UHFFFAOYSA-N 432.568 4.033 10 20 IICD Cc1c(CNC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)n(C)c2ccccc12 472808692 NRSMJHKTORAGQZ-UHFFFAOYSA-N 438.959 4.385 10 20 IICD CNS(=O)(=O)c1ccc(Nc2ccc(N[C@H](C)c3ccccc3)cc2)c([N+](=O)[O-])c1 725790610 JYLOJQRYZYWEMD-OAHLLOKOSA-N 426.498 4.420 10 20 IICD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)s1 727241933 MSXVMDWEVDJIHK-UHFFFAOYSA-N 448.595 4.213 10 20 IICD Cc1ccccc1CC(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 728183666 NVNFWNYAWVGKGS-UHFFFAOYSA-N 442.471 4.430 10 20 IICD C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1ccc(N2CCOCC2)cc1 728209706 OAUMUAOPPZVQAY-CQSZACIVSA-N 428.330 4.258 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 728280451 OWFHZSZBYLOMRL-LJQANCHMSA-N 425.960 4.342 10 20 IICD CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 730192476 BBCAPPHWECHNLO-LJQANCHMSA-N 427.564 4.176 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2cccc(Br)c2)n1 730216553 ZRTNGDCQDJZXLJ-UHFFFAOYSA-N 427.346 4.363 10 20 IICD Cc1cc(Br)ccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 732241544 LVJQHDWMKJUHNJ-UHFFFAOYSA-N 434.403 4.310 10 20 IICD CCOC(=O)c1c(NC(=O)c2ccc(S(C)(=O)=O)o2)sc(C)c1-c1ccc(C)cc1 733090981 VVXSXFUOOXJAFI-UHFFFAOYSA-N 447.534 4.457 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 733124865 FAODATJMNWTWKQ-XIEYBQDHSA-N 442.563 4.357 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 734520845 PEOLASSOGRCWCP-UHFFFAOYSA-N 434.515 4.452 10 20 IICD CSc1ccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 740649609 WMJVATCERYPYFX-YESZJQIVSA-N 432.561 4.245 10 20 IICD Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)NC1CC1 740850308 DESIDCWBPVTGGF-UHFFFAOYSA-N 441.528 4.235 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1F 741541989 OKLLAXVYSUUVDU-IRXDYDNUSA-N 440.412 4.240 10 20 IICD COc1ccc2[nH]cc(C3=CCN(c4ccc([N+](=O)[O-])cc4N4CCOC4=O)CC3)c2c1 742254509 HEGHPZSWKBJPAE-UHFFFAOYSA-N 434.452 4.335 10 20 IICD O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(Oc3cnccn3)cc2)SC1=S 743247873 CHZYWUGCXFPXMD-FOWTUZBSSA-N 429.523 4.115 10 20 IICD COc1cc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C 743629872 PLHJTGNEYSLZJC-GOSISDBHSA-N 433.499 4.116 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(-c2ccccc2)ns1 747547247 MARRZCKXHZJEJF-UHFFFAOYSA-N 426.517 4.232 10 20 IICD Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)C[C@H]4CCS(=O)(=O)C4)n3)c2C)cc1 747575767 IWAAJNKACCDGOL-QGZVFWFLSA-N 443.594 4.289 10 20 IICD C[C@H](NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 747860410 BGTJPCUIUFCCSE-ZWSUVBHBSA-N 437.584 4.394 10 20 IICD CSc1cccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c1 751931898 VQDZPBPFQBEUIF-ZDUSSCGKSA-N 427.551 4.222 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(CCCC(=O)OC)cs3)ccc21 755662701 RWNMRLZRBPELRW-UHFFFAOYSA-N 429.542 4.109 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c2ccccc12 756152505 IWONXKHOJBUBDD-UHFFFAOYSA-N 430.957 4.151 10 20 IICD O=C(O)[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(-c2ccccc2)cc1 756306077 HDPQNZCGMYLXDZ-XMMPIXPASA-N 448.538 4.362 10 20 IICD Cc1ccc([C@H](CN[C@@H](C)c2cc(Br)cc(Cl)c2O)N2CCOCC2)o1 756364393 JYUHSYZQNZEPRK-GUYCJALGSA-N 443.769 4.434 10 20 IICD C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2c(cc1O)CCCC2 756690079 YFUMLGWNDICEIJ-SFHVURJKSA-N 428.598 4.023 10 20 IICD C[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1 757642229 AVOGYHIJXBAYHT-DKXRRRNBSA-N 426.654 4.084 10 20 IICD COc1cc(Cl)cc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1O 761196058 USLBQIRUCISTKU-UHFFFAOYSA-N 446.956 4.487 10 20 IICD C[C@H]1CCCN(Cc2csc(NC(=O)NCc3cccc(Br)c3O)n2)C1 765215998 XQMQSOOMSRZNQS-LBPRGKRZSA-N 439.379 4.165 10 20 IICD COc1ccc(C2(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CCOCC2)cc1 765311881 ZDIZCAODVYGBBW-LJQANCHMSA-N 428.548 4.070 10 20 IICD COc1cc(Br)cc(CN2CCC(n3c(O)nc4ccccc43)CC2)c1O 768217912 KFMHSFGUNAVBHL-UHFFFAOYSA-N 432.318 4.056 10 20 IICD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 768235934 BELOJNQFDWHENW-KRWDZBQOSA-N 431.558 4.182 10 20 IICD CCn1c(SCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)nnc1-c1cnccn1 768411713 MQLOFVFMNRKIJP-UHFFFAOYSA-N 432.553 4.446 10 20 IICD O=C(NCCc1ccc(O)c(O)c1)c1cccnc1Oc1ccc(Br)cc1 768900617 KOZHOXKTPURTND-UHFFFAOYSA-N 429.270 4.020 10 20 IICD CSC[C@@H]1CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 769322469 LGPHNJZXWYDFAL-WZMONFQBSA-N 426.654 4.084 10 20 IICD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCc2ccc(F)cc2C1 771501753 QCOBGYMQJIXWKH-LDADJPATSA-N 446.594 4.454 10 20 IICD Cc1ccc(-n2nc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2C)cc1 776900104 OYCILUDJZJPJTO-UHFFFAOYSA-N 440.494 4.489 10 20 IICD COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(-c2ccccc2F)n1 777828934 QFOOITMRLYMZLL-UHFFFAOYSA-N 434.876 4.124 10 20 IICD Cc1cc(Br)cc([C@@H](C)NCc2ccccc2CN2CCC(O)CC2)c1O 779027719 SZZOAJOXHDFZIV-MRXNPFEDSA-N 433.390 4.271 10 20 IICD CC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1C 782423950 RIKXNPYGLMVJDI-UHFFFAOYSA-N 433.508 4.024 10 20 IICD C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(-n2cccn2)cc1)c1ccc(N)cc1 783486544 ODPWRICVQXWPMN-GOSISDBHSA-N 425.492 4.187 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cccc(Cl)c1Cl 786942544 AJVSLNSTXKYAQL-UHFFFAOYSA-N 434.367 4.259 10 20 IICD COCCN(C)c1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3Cl)C2=O)cn1 790108393 OOUMSOOXBGVZKM-YVLHZVERSA-N 449.985 4.232 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@]4(C)[C@@H](C3)C4(Cl)Cl)cc2F)C[C@@H](C)O1 790671513 HFOURZGLZIMIJS-VLBMKZOESA-N 444.378 4.165 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2c1CCO2 794145902 YQIVIGIAEKUDGM-ATVHPVEESA-N 430.576 4.303 10 20 IICD Cc1noc([C@H]2CCCN2CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 796693808 GOIGAMGFTXVFPJ-LJQANCHMSA-N 430.455 4.407 10 20 IICD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc([C@@H](C)O)s3)c2C)c1 798692137 VFXOVXCRCIUQDQ-CQSZACIVSA-N 430.551 4.366 10 20 IICD Cc1cc(C(=O)COC(=O)c2cn3c(n2)CCCC3)c(C)n1-c1ccc(OC(F)F)cc1 799588353 MMBURNAZTYJYIQ-UHFFFAOYSA-N 443.450 4.268 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 800700797 BIOKXZDOSSNQJO-FGZHOGPDSA-N 435.543 4.317 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)c1ccc2ncc(I)n2c1 801545979 GTQMKXLHHFNPCU-UHFFFAOYSA-N 449.292 4.087 10 20 IICD CCc1nc2cc(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc2n1C1CC1 801746767 CWSPJOJQZUKCLX-SFHVURJKSA-N 447.583 4.331 10 20 IICD CN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 812008842 GIJPWEAMUMECOA-IYBDPMFKSA-N 431.474 4.049 10 20 IICD O=C(COC(=O)c1ccc(N2CCNC2=O)cc1)Nc1ccc(N=Nc2ccccc2)cc1 812906210 VWXFEHQFONEECA-UHFFFAOYSA-N 443.463 4.427 10 20 IICD COc1ccc(N2CCN(C(=O)Nc3cccc(-c4ncc5n4CCCC5)c3)CC2)cc1F 812969392 SEYIWQRPRWJVTQ-UHFFFAOYSA-N 449.530 4.388 10 20 IICD CN(C)S(=O)(=O)c1cccc(N2C(=O)/C(=C\c3cc4ccccc4o3)SC2=S)c1 814275425 XMEOFIUTIXBRSD-LDADJPATSA-N 444.559 4.089 10 20 IICD Oc1c(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc2ccccc12 816537350 BBXRYAYTJCQVGP-UHFFFAOYSA-N 443.526 4.091 10 20 IICD Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c(C)n1-c1ccccn1 914849178 HUHVHHFGXBELAE-FQEVSTJZSA-N 433.512 4.042 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3csc(-c4ccccn4)n3)SC2=S)c1 915984917 NNLKXHBWCOMFEY-OQLLNIDSSA-N 425.516 4.309 10 20 IICD Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)n1 916488587 YBUJCFUJEWEPPC-UHFFFAOYSA-N 449.624 4.084 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2F)C[C@@H](C)O1 916668900 JIGQCZBAJMJHMX-CHWSQXEVSA-N 436.871 4.323 10 20 IICD CC(C)(C)NC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 916688334 YPBVFSUZNZDXTP-FQEVSTJZSA-N 425.529 4.134 10 20 IICD CN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 917310425 YUXWJABHQBUNBN-UHFFFAOYSA-N 448.903 4.258 10 20 IICD CC(C)Oc1ccccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918129395 ZWWKKMMBRUAVEK-QZTJIDSGSA-N 429.536 4.226 10 20 IICD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCN(c2nccs2)CC1 920786904 LXDNTNWMJZFUCA-UHFFFAOYSA-N 434.525 4.236 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1843939000 NSPJUUZASAQFRP-CGTJXYLNSA-N 446.975 4.175 10 20 IICD COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(N(C)C)cc3)s2)cc1OC 18150711 HBKBZTBMTWBRMT-UHFFFAOYSA-N 425.554 4.474 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)c1 23724608 VNVSWRHGZQVIGY-VGOFMYFVSA-N 436.308 4.259 10 20 IICD CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1F 116151327 PIOPOPQKIUALNO-IBGZPJMESA-N 438.330 4.120 10 20 IICD C[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 303282145 USCVEXWVAJLDEG-SFHVURJKSA-N 432.561 4.027 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-c4nnc(N(C)C)o4)cc3)ccc21 536501121 GUPZGHNSSPSFJQ-UHFFFAOYSA-N 433.512 4.273 10 20 IICD O=S(=O)(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cccc2nsnc12 536699064 RLBFMRWCRZFTHV-UHFFFAOYSA-N 449.386 4.023 10 20 IICD O=C1CCCN1Cc1ccccc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726091042 CBHUMCCPNWPJOT-UHFFFAOYSA-N 433.508 4.020 10 20 IICD Cc1cc(Cl)ccc1OCCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 726240461 JADSSAQVYVFRFO-GOSISDBHSA-N 431.964 4.314 10 20 IICD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nc(-c3ccsc3)no2)cc1 728838994 DMHNSDZSADJQHU-UHFFFAOYSA-N 438.475 4.388 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1O 729565100 AIRIVFBLRSQRKT-UHFFFAOYSA-N 445.519 4.244 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1 729857912 LIMMXEBBGGKOGW-KHCICDEESA-N 441.547 4.113 10 20 IICD COc1ccc(COCCCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731049743 MUMGOTSWEIIRRK-UHFFFAOYSA-N 425.573 4.338 10 20 IICD CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(I)s1 731282141 HFCDHBZGVOHKNT-UHFFFAOYSA-N 444.338 4.223 10 20 IICD Cc1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccc(Br)cc1 732151874 RBBZMCWXPZHFRL-IBGZPJMESA-N 444.373 4.084 10 20 IICD Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)c(C)n1-c1cccc(Br)c1 733153949 JNLTYJJOAJOHSN-UHFFFAOYSA-N 448.405 4.039 10 20 IICD O=C(NCCCSc1nccs1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 733974805 MCQLDEJHUVNDLX-UHFFFAOYSA-N 432.592 4.029 10 20 IICD COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 734018334 NMNLEPLKIPCTQO-AUSIDOKSSA-N 436.533 4.181 10 20 IICD COc1ccc(N2CCN(CCCNCc3cnc(-c4ccc(C)cc4)s3)CC2)cc1 734507273 SDJWEQLSNLYOMU-UHFFFAOYSA-N 436.625 4.429 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 735193396 INHODUDMCZFDRP-SFHVURJKSA-N 432.515 4.164 10 20 IICD O=C(NCC[S@@](=O)Cc1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 735200568 WCVGCFMZIDUGJN-WJOKGBTCSA-N 434.521 4.106 10 20 IICD O=C(Cc1ccccc1OC(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 735636027 ZBNLCMVEDUTASO-UHFFFAOYSA-N 426.410 4.217 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(OCc2ccccc2)ccc1O 738506138 SFTJPRBPHQARRU-UHFFFAOYSA-N 432.520 4.080 10 20 IICD C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4c(Cl)cccc4C3)cc2F)C[C@@H](C)O1 740031271 KTYQUWCNLOVUDX-HZPDHXFCSA-N 431.939 4.361 10 20 IICD Oc1cc2c(cc1CN[C@H](c1ccc3c(c1)OCCO3)c1ccccc1Cl)OCO2 742383021 RTBRAYQSZYRDEL-HSZRJFAPSA-N 425.868 4.425 10 20 IICD O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2ccc(F)cc2)n1 742800750 LZGVDZORTHMLCW-INIZCTEOSA-N 430.430 4.012 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(c2ccccc2)CCOCC1 742801015 WNGIBOBQMNOSBC-LJQANCHMSA-N 430.495 4.121 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@]12CCc1ccccc12 743312291 OEBPCBRJICXTQK-JTHBVZDNSA-N 430.470 4.062 10 20 IICD CN(c1ccc(CNC(=O)C(=O)Nc2cccc(OC(F)F)c2)cc1)C1CCCCC1 743421736 RRYWGDSYUBMGLA-UHFFFAOYSA-N 431.483 4.312 10 20 IICD CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 743551346 BELIOILDFQZMGO-TZIWHRDSSA-N 430.593 4.170 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 743807829 HRKIBUJKFMOYTK-UHFFFAOYSA-N 440.721 4.171 10 20 IICD Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)NCc3ccccc3O)cc2Cl)n1 748444539 SLSFUJHSUPBUJG-HNNXBMFYSA-N 441.919 4.380 10 20 IICD O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)ccc2[nH]1 751127213 YBCGPERVYJWJJM-UHFFFAOYSA-N 439.474 4.305 10 20 IICD O=S(=O)(c1ccc2nc(Cl)sc2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 751137764 WRRVCBFKJJBJCR-CQSZACIVSA-N 438.958 4.025 10 20 IICD COc1ccc(C(=O)Nc2cccc(OCCN[C@H](C)c3cc(OC)ccc3O)c2)cc1 756708126 ZNAHJSVEQKJYGA-QGZVFWFLSA-N 436.508 4.391 10 20 IICD COc1ccccc1N1CC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 757297150 YXXMPXBHMZJNKL-NRFANRHFSA-N 443.507 4.444 10 20 IICD CCOc1cccc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 760640000 PACUUHFCBOUOQQ-VBKFSLOCSA-N 448.591 4.267 10 20 IICD O=S(=O)(c1cccc(-c2nnc(Sc3ncc(Cl)s3)o2)c1)N1CCCCC1 765002823 XUIYGKLOLMOWMN-UHFFFAOYSA-N 442.975 4.172 10 20 IICD Cc1cc(CC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)n1-c1ccc(Cl)cc1 769313630 HSJJLMHLAYSILB-DNQXCXABSA-N 444.019 4.174 10 20 IICD COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCc2c(O)ccc3c2CCCC3)cc1OC 769563977 PDADBWKHGXWOAN-UHFFFAOYSA-N 440.540 4.203 10 20 IICD C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 769683265 CUARRWSDMUCPDW-HOTGVXAUSA-N 445.526 4.323 10 20 IICD CCOC(=O)c1sc2nc(CN(Cc3ccccc3O)C3CCCC3)nc(N)c2c1C 772178493 NAWRQJUKDCDDMC-UHFFFAOYSA-N 440.569 4.409 10 20 IICD CCOC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccc(OC)c(Br)c1 779179839 YHMOQEWGVYDZQY-INIZCTEOSA-N 446.700 4.350 10 20 IICD COc1cccc(CNC(=O)Nc2ccc(Br)cc2OC(F)(F)F)c1O 789463200 ASDUCRBFUOGGDU-UHFFFAOYSA-N 435.196 4.384 10 20 IICD C[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 790912377 CXULVMDQZCIUKM-JVSBHGNQSA-N 438.616 4.145 10 20 IICD Cc1nc2cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)ccc2o1 792197812 GNNDGXYYJUCALF-FQEVSTJZSA-N 438.528 4.198 10 20 IICD NC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nc1Cl 805574493 KPNVTQTVLNGVIX-UHFFFAOYSA-N 437.843 4.045 10 20 IICD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 806457776 BNVQXMJOWDRBFV-RTBURBONSA-N 439.522 4.120 10 20 IICD CN(C)c1ccc(CN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C2CC2)cc1 914439120 FKYUACJGHGNGNY-UHFFFAOYSA-N 425.536 4.350 10 20 IICD COc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918108759 OKOJNZYPRNUFBR-HNNXBMFYSA-N 437.462 4.111 10 20 IICD CCOc1ccc(C2(CNC(=O)N(CC)Cc3ccc(N(C)C)cc3)CCOCC2)cc1 919923039 HNBDSKCSQDSRQK-UHFFFAOYSA-N 439.600 4.431 10 20 IICD C[C@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1 920888054 KAWSCJPKAZLLMZ-KRWDZBQOSA-N 435.549 4.328 10 20 IICD O=C(NC1CCC2(CCOCC2)CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1319159297 DIKKKOLLKUYYQQ-SFHVURJKSA-N 437.531 4.295 10 20 IICD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccc(Cl)cc1 1790295451 OBBKJNQECMGTGK-UHFFFAOYSA-N 437.883 4.208 10 20 IICD COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccc(C)cc4)CC3)c2C)cc1 32357101 DQOWGCJQWXRAKN-UHFFFAOYSA-N 431.536 4.009 10 20 IICD CCOc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 108466686 MQGLRQZGIFJDJA-QZTJIDSGSA-N 429.536 4.180 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 109759779 JLYRSKIMBPPKCC-SFTDATJTSA-N 429.358 4.048 10 20 IICD COc1ccc(N2CCCN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1 195709914 CUVJUPLFFAZNME-UHFFFAOYSA-N 444.457 4.252 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2Br)cc1 302663182 ZWYXTLZGWZOMQG-GOSISDBHSA-N 435.337 4.476 10 20 IICD COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)ccc21 481906390 IXMGLYYOZIJDBA-LJQANCHMSA-N 431.540 4.318 10 20 IICD CC(C)COC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 726141064 MWAPNADDXIDFCS-UHFFFAOYSA-N 441.572 4.379 10 20 IICD COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC(F)F 726567021 APEDXRZIYJFEPZ-UHFFFAOYSA-N 442.409 4.297 10 20 IICD CCCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 729594723 VARRLBHRLZKNIG-NRFANRHFSA-N 430.593 4.218 10 20 IICD NC(=O)CCSc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 731756012 JHOULZPKJKXZPB-UHFFFAOYSA-N 425.510 4.187 10 20 IICD C[C@@H]1CN(c2ccc(CNc3ccccc3S(=O)(=O)C(F)F)cc2F)C[C@@H](C)O1 731979463 RJKYAHLSCRMYJE-ZIAGYGMSSA-N 428.476 4.048 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cc2F)CC1 733040951 MXAAYSXWQAMZHB-JOCHJYFZSA-N 446.517 4.293 10 20 IICD COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CCC(=O)N2C)cc1 734433974 PKFFYMXYVXJEPQ-AOYPEHQESA-N 449.595 4.157 10 20 IICD C[C@@H]1Cc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc2N1S(C)(=O)=O 740800929 IRCPOOANTPBFHK-QGZVFWFLSA-N 427.570 4.030 10 20 IICD C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@H]1c1ccccc1 745648666 SUSJXMWPRSBAOJ-XMSQKQJNSA-N 425.548 4.122 10 20 IICD O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H](c1ccccc1)[C@@H]1CCCO1 745796343 RGJAKTZVJXNORF-BVYCBKJFSA-N 445.510 4.476 10 20 IICD C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C(=O)N1c1ccccc1 745881669 KLOMQSFBCRRMIX-DVECYGJZSA-N 446.551 4.251 10 20 IICD Cc1cc(CC(=O)NCCCNC(=O)c2cccs2)c(C)n1-c1ccc(Cl)cc1 748657172 NGSVUKLGBITNLH-UHFFFAOYSA-N 429.973 4.288 10 20 IICD Cc1cc(C)c(N2C[C@@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)c(C)c1 751300138 SVLGCYZRVBHSPN-IBGZPJMESA-N 439.519 4.313 10 20 IICD C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)cc(Cl)c1O 756707703 NHNOZCCYUFERHF-SECBINFHSA-N 433.680 4.167 10 20 IICD COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 757555933 LOMDSZZJVQLIOB-UHFFFAOYSA-N 442.440 4.123 10 20 IICD COc1ccc(N2CCC(NC(=O)Nc3cccc4c3CN(c3ccccn3)C4)CC2)cc1 757905789 CZERHYDKVFLQAE-UHFFFAOYSA-N 443.551 4.401 10 20 IICD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(N2CCCC2=O)ccc1Cl 760390743 OTVXJOSOHUVLJQ-UHFFFAOYSA-N 444.874 4.495 10 20 IICD O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(F)cn2)no1 763344793 ALXWBTQYLQTXSX-NTEUORMPSA-N 432.527 4.166 10 20 IICD COc1ccccc1N1CC[C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 765544898 ILEXOUBJGKMMBU-MOPGFXCFSA-N 429.992 4.362 10 20 IICD COCCCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 768204247 UINMJRZPGZRKPU-LJQANCHMSA-N 425.635 4.013 10 20 IICD C[C@@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccncc1 769148190 YBJGZYCUKWVRSM-LAUBAEHRSA-N 426.561 4.023 10 20 IICD Cc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Br 769247599 DEFKJDSRBKUJSV-UHFFFAOYSA-N 436.325 4.179 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1 772117843 NKXVZAHIILBTTG-OAQYLSRUSA-N 437.569 4.304 10 20 IICD COc1cc(OC)c(C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c(OC)c1 773626340 NEGNINFLKBTNBV-KRWDZBQOSA-N 441.572 4.429 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 774371558 QODZUXQQRDLZQN-KRWDZBQOSA-N 443.288 4.352 10 20 IICD COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 775157770 DVBYAXBYJYIHNZ-UHFFFAOYSA-N 426.466 4.215 10 20 IICD Oc1c(Br)cc(Br)cc1CN1CCC(N2CCCCC2)CC1 775649068 ZPPSYRJFDXTOCR-UHFFFAOYSA-N 432.200 4.368 10 20 IICD Cc1cc(CC(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 776712442 ZOFVGOFNGUAVDE-UHFFFAOYSA-N 445.007 4.379 10 20 IICD CCS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 777749548 ZKEDYBDPLBFSJO-UHFFFAOYSA-N 430.570 4.230 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 778092640 XFQQEDXHUWCRGI-OAHLLOKOSA-N 447.461 4.309 10 20 IICD CC(C)Sc1cc(Br)ccc1/C=C1\SC(N2CCOCC2)=NC1=O 779713572 PNRURKCIIXFQOP-DHDCSXOGSA-N 427.389 4.252 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OCC(F)(F)F 783317457 SWLAIVJEMJILIU-UHFFFAOYSA-N 437.462 4.069 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1csc2ccccc12 785192507 NAMNPFPTJNWZTP-UHFFFAOYSA-N 433.327 4.357 10 20 IICD Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 786142073 OSNHJZWCHSDGGS-UHFFFAOYSA-N 435.490 4.222 10 20 IICD O=C(N[C@@H]1CCSc2c(F)cccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O 788461090 SDAGNLLQTIMFGJ-LJQANCHMSA-N 440.496 4.006 10 20 IICD Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C(C)C 790654407 FGBWHWLXKXTJCG-UHFFFAOYSA-N 446.595 4.443 10 20 IICD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1C 799187643 YFDRCZWNRUMALT-UHFFFAOYSA-N 428.539 4.205 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(CC(F)(F)F)CC3)cc2Cl)C1 799896819 HYXOAMNTTOVLFM-HNNXBMFYSA-N 446.945 4.402 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3SCC(N)=O)cc2Cl)C1 800521255 QQZSRPNGESZLMG-OAHLLOKOSA-N 447.004 4.475 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 801548483 HRVJYHUQDHMXTF-IBGZPJMESA-N 443.931 4.080 10 20 IICD CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 802610067 PPOYOTXDRJPMJC-UHFFFAOYSA-N 439.556 4.453 10 20 IICD CC[C@H](NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1O 810255990 SIUIOQNAYVTQIT-UWJYYQICSA-N 427.463 4.463 10 20 IICD COc1c([N+](=O)[O-])cc(N(C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1Br 912620372 FJOGPYDSPDNUOL-UHFFFAOYSA-N 432.177 4.189 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 919914353 GSEJLYYKELLYDK-QFIPXVFZSA-N 439.556 4.135 10 20 IICD CCOC(=O)c1sc2nc(C)nc(NCc3ccc(N4CCOCC4)c(F)c3)c2c1C 301111215 VTVOSZZJFVEWJP-UHFFFAOYSA-N 444.532 4.073 10 20 IICD Cc1c(CNC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)n(C)c2ccccc12 467931706 ZAFZBIHEXIMURS-UHFFFAOYSA-N 435.919 4.315 10 20 IICD C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N(C)c1ccccc1 726705668 MBUPYOYISNHRSP-KRWDZBQOSA-N 432.515 4.081 10 20 IICD COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1cc(F)ccc1F 726946878 GDHCOCPOMZVYTP-OAQYLSRUSA-N 428.435 4.025 10 20 IICD COc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)ccc1OC(F)F 727176045 FGYGDXHMNCHNJX-OQLLNIDSSA-N 430.542 4.086 10 20 IICD O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1c1ccc(Cl)nc1 727491169 GVSGZDDOUJPYAR-YBEGLDIGSA-N 435.933 4.117 10 20 IICD COc1ccc(O)c([C@H](C)NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1 728977602 AXSNERNHDGTVFD-LBPRGKRZSA-N 428.510 4.341 10 20 IICD C[C@@H](CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 729346514 YEUURYNTCKSGFB-SFHVURJKSA-N 446.588 4.463 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 730533756 HGBINQFFTUFYSQ-DEOSSOPVSA-N 438.474 4.238 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 736067450 NZKQPBMLIIWJGR-UHFFFAOYSA-N 448.310 4.426 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(N4CCCCCC4)c3)cc2)C1 741071629 WEZBMQXCTCAWOF-NRFANRHFSA-N 449.599 4.090 10 20 IICD CCOc1cccc(CN[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c1O 742392518 PVGFOUFABOMZHL-QHCPKHFHSA-N 441.549 4.082 10 20 IICD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 742563707 PIAQWXGLFVFXLT-IBGZPJMESA-N 437.613 4.411 10 20 IICD O=C(NCCCSc1nccs1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742669367 JFCVUHHNGLIQDD-INIZCTEOSA-N 446.425 4.122 10 20 IICD O=C(CCCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799644 MALYSRVOQHTAJX-MRXNPFEDSA-N 428.483 4.272 10 20 IICD CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 743529950 BTZXPOGJOCIVGF-BEFAXECRSA-N 446.498 4.276 10 20 IICD CNC(=O)c1cc(Oc2cc(NC(=O)NCc3ccc(N(C)C)cc3C)ccc2C)ccn1 748951482 PNTPOCPXAMWRSR-UHFFFAOYSA-N 447.539 4.238 10 20 IICD C[C@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(N2CCOCC2)cc1 748993519 ALYJAQYUCHOKFJ-KRWDZBQOSA-N 434.496 4.251 10 20 IICD O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCC2(CCCCC2)C1 751067828 BEMBJFKXMDXGOL-UHFFFAOYSA-N 434.583 4.441 10 20 IICD CN1CCCc2cc(CNC(=O)C3(c4ccc(Br)cc4)CCOCC3)ccc21 751112087 KLALDYXZDSQLBS-UHFFFAOYSA-N 443.385 4.196 10 20 IICD COc1ccc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1 751717659 UXHSFBOPNMSKOV-KRWDZBQOSA-N 431.536 4.448 10 20 IICD COc1ccc(N2CCN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)cc1F 753732545 VDHWAPLLKMPCEL-UHFFFAOYSA-N 448.420 4.001 10 20 IICD COc1ccc(O)c([C@H](C)NC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 754140875 PYYIYJFNSPCSSA-MBSDFSHPSA-N 440.565 4.080 10 20 IICD C[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(Cl)c1O 756608905 QYIBQXAQCCXFON-XOBRGWDASA-N 439.781 4.096 10 20 IICD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 757734469 NZNRLIFGECELHN-UHFFFAOYSA-N 446.551 4.462 10 20 IICD O=C(CCc1cc(Br)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 759675180 LHYSYBQLUMDIBH-GOSISDBHSA-N 436.321 4.434 10 20 IICD CC(C)Oc1ccc(N(C)CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 759928694 PMTHPIFWLBDBEQ-UHFFFAOYSA-N 437.462 4.026 10 20 IICD C[C@@H](CCc1ccccc1F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 765282609 VXRHBTAPUBCPIW-IBGZPJMESA-N 437.538 4.192 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCc4c3sc3ccccc43)cc2)CC1 765978777 ONSAPUWYAYBJCS-OAQYLSRUSA-N 426.607 4.303 10 20 IICD O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 766594552 FKNFZFHEJSPHJZ-RUZDIDTESA-N 447.604 4.440 10 20 IICD C[S@](=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 768106204 OLGJTEOQZZUHQH-UKPGIYTDSA-N 434.521 4.277 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(-c2ccc(O)cc2F)no1 771210372 JMRDLNLNZRWBGA-GDNBJRDFSA-N 447.538 4.477 10 20 IICD C[C@H](NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1)c1ccc(N(C)C)cc1 773614936 UVKNVLZMCZBZLV-YRLHULLVSA-N 430.593 4.148 10 20 IICD CN1C(=O)CCc2cc(/C=C3/SC(=S)N([C@@H]4CCc5ccccc5C4)C3=O)ccc21 773902526 XHBYUDLJULZXEX-DBRLUCFCSA-N 434.586 4.354 10 20 IICD O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1cc(Cl)cc(F)c1O 776176121 ZHVUQQGSMBBTRH-UHFFFAOYSA-N 445.922 4.229 10 20 IICD COCc1nnc(-c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c2)o1 776322854 OAMDLCWRBHUZJS-UHFFFAOYSA-N 448.445 4.154 10 20 IICD CC(C)N(C)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 782425226 XOKVSHXMJZOOSM-UHFFFAOYSA-N 448.567 4.358 10 20 IICD CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCc2ccc(N(CC)CC)cc2)n1 790227203 HELVDXPNLVYDGR-IBGZPJMESA-N 430.574 4.213 10 20 IICD CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccccc4C)c3C)c2)C1=O 794267431 SLCCOOLRKOGLTR-OAQYLSRUSA-N 430.508 4.490 10 20 IICD C[C@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 800594500 YWGCBPSEJCYXNR-IBGZPJMESA-N 432.524 4.380 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CSc2ccc(Cl)cc2)n1C 800768605 AGMRETCACKYBEH-UHFFFAOYSA-N 444.004 4.234 10 20 IICD CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 801990085 UXWKILKVGXPLNX-SFHVURJKSA-N 439.535 4.050 10 20 IICD COCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 802488223 JXDSCANMMUVABG-UHFFFAOYSA-N 437.563 4.281 10 20 IICD CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 805479464 BIWRDZFFCYXUDI-NSHDSACASA-N 431.341 4.053 10 20 IICD C[C@H]1CN(Cc2csc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)C[C@H](C)O1 806155599 SCNWIMQARDRMHG-QWRGUYRKSA-N 445.372 4.086 10 20 IICD COc1ccc(N2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)C)CC2)cc1 812225543 HOWXVIXQJPAWAP-UHFFFAOYSA-N 440.979 4.375 10 20 IICD CN(Cc1ccccc1O)c1nnc(CCCc2cccs2)n1C[C@@H]1CCCCO1 812435814 WJEBDKPIBXCJHL-IBGZPJMESA-N 426.586 4.426 10 20 IICD CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(CCOC)c3C)SC2=S)cc1 814274600 UBFRHSOENKYLKA-CPNJWEJPSA-N 444.578 4.334 10 20 IICD CCc1ccccc1-n1cnnc1SCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 914879545 KSWHQFUNLGLNQV-UHFFFAOYSA-N 437.613 4.427 10 20 IICD C[C@@H]1CN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn34)cc2F)C[C@@H](C)O1 917087331 ZCVZPDKNLWOLSM-IAGOWNOFSA-N 432.503 4.156 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)cc(Br)c3)cc2F)C[C@@H](C)O1 917713231 JSMJBFYBLFAYFE-BETUJISGSA-N 439.300 4.271 10 20 IICD CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1 918004835 LPOHOPZTFGNSMZ-SIKLNZKXSA-N 442.991 4.238 10 20 IICD CN1CCN(c2ccc(CN3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)cc2F)CC1 1319963002 KWUFGHQXZNNKFL-MRXNPFEDSA-N 442.526 4.432 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1 1321020612 LYQKCFGDHGXMOT-QHCPKHFHSA-N 446.507 4.002 10 20 IICD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NCCc2ccncc2)c1 1518305044 MVUBEMHWCFFHPY-KRWDZBQOSA-N 425.916 4.047 10 20 IICD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 1808971787 DKXYUJRZNDUGHI-UHFFFAOYSA-N 434.964 4.176 10 20 IICD O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)cc1Cl 10878362 YHSUQGUQIIRTMO-UHFFFAOYSA-N 437.810 4.050 10 20 IICD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C)Cc1ccccc1F 302688499 NZWIMAQTZARXSK-UHFFFAOYSA-N 441.528 4.231 10 20 IICD CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCc2ccccc2C1 303593585 SUHSDFZSRGLPOT-FQEVSTJZSA-N 447.501 4.241 10 20 IICD Cc1cc(COc2ccc(/C=C3/SC(N4CCCCC4)=NC3=O)cc2)oc1C(=O)O 729937164 MYFQKENIKSDLQO-LDADJPATSA-N 426.494 4.321 10 20 IICD CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 730109010 AAFHHDZEKPXXEZ-LJQANCHMSA-N 426.319 4.482 10 20 IICD Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1-c1ccc2ncccc2c1 731343525 VEZXPSZBOXVMIP-UHFFFAOYSA-N 426.524 4.044 10 20 IICD Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 735001207 VAUBGEOREPKZGE-UHFFFAOYSA-N 447.501 4.381 10 20 IICD C[C@@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 737027498 PPTBATKEFDQDAY-LJQANCHMSA-N 439.556 4.211 10 20 IICD CCN1CCN(c2ccc(CNC(=O)N3C[C@H](c4ccc(F)cc4)C[C@@H]3C)cc2F)CC1 737049134 JDBFASSBTLPTGC-GHTZIAJQSA-N 442.554 4.194 10 20 IICD O=C1NC2(CCCC2)C(=O)N1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F 741471086 MOFGEVCGJQJMBW-UHFFFAOYSA-N 438.475 4.069 10 20 IICD Cc1cc(CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 741595907 AUBBKQDUQCVTLV-SFTDATJTSA-N 437.005 4.104 10 20 IICD C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 742046995 DWYDQGDMNBTXSO-OAHLLOKOSA-N 435.387 4.086 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(-c2ccc(C)cc2)c1C 743808771 DGHXSBSCFKTESB-UHFFFAOYSA-N 429.318 4.015 10 20 IICD COc1ccccc1C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C 747955633 RTOZRWCKMVJECD-FGZHOGPDSA-N 426.557 4.359 10 20 IICD CCN(C[C@@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1)CC(F)(F)F 748092505 DDJDIFBQYODRAK-INIZCTEOSA-N 436.474 4.035 10 20 IICD CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)C1CCCCC1 751938369 ZDQWLPZKRKONMS-NRFANRHFSA-N 429.586 4.289 10 20 IICD COC(=O)CCSc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 756489356 SZVBVJGLUVTIEH-LJQANCHMSA-N 444.553 4.261 10 20 IICD C[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc(Br)c(F)cc1O 756650156 LPHXJCSZPTXLIH-HOCLYGCPSA-N 435.337 4.178 10 20 IICD COc1ccc(CNC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1OC 757286475 POBWWAXHOXGEIO-IBGZPJMESA-N 434.536 4.289 10 20 IICD COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 758415522 ITSNJMHOXXLTEY-HTMJNSLASA-N 429.519 4.041 10 20 IICD COc1cc2c(cc1NCC(=O)NCc1cccc(C(=O)NC3CC3)c1)oc1ccccc12 762780219 BHNITXKVLVKTHF-UHFFFAOYSA-N 443.503 4.215 10 20 IICD CSCCCN1C(=O)/C(=C\c2cc(Br)cc3c2OCC3)SC1=S 764891067 JPOIUBCOPLQVEC-UKTHLTGXSA-N 430.414 4.338 10 20 IICD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccc(Br)c1O 765728262 FJKSITZDHAPNIM-GOSISDBHSA-N 449.345 4.112 10 20 IICD Cn1cc([C@@H](O)C[C@@H]2CCCN2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 766961126 ODKPEIJYAJRFJH-GOTSBHOMSA-N 432.528 4.362 10 20 IICD C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 769274677 URGGMAPCTHNXGI-OAHLLOKOSA-N 425.489 4.070 10 20 IICD CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 769491825 DTKZOEFVRIMBMH-UHFFFAOYSA-N 447.595 4.274 10 20 IICD CN1CCCc2cc(CNCc3ncc(Br)cc3Br)ccc21 775951219 DKDHNWZJJKEPHL-UHFFFAOYSA-N 425.168 4.279 10 20 IICD CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 777708102 LYKAUSQRLAJYFU-ROUUACIJSA-N 449.592 4.053 10 20 IICD FC(F)(F)CCN1CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 780714417 VRBZIZSMEAVPPQ-UHFFFAOYSA-N 439.444 4.048 10 20 IICD CCOc1ccc(-n2c(C)cc(C(=O)CN(C)C3CCC(NC(C)=O)CC3)c2C)cc1 784549643 PQIKUEWMFADSDD-UHFFFAOYSA-N 425.573 4.055 10 20 IICD Cc1cc(C)nc(-n2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 789309114 GBQBYEAYVJNSHH-UHFFFAOYSA-N 445.527 4.172 10 20 IICD CCn1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 790994834 ATIXXALONDTZAL-SFQUDFHCSA-N 433.624 4.210 10 20 IICD C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2Cl)C1 800536347 OTZIBKFKNIFQLV-AWEZNQCLSA-N 428.920 4.343 10 20 IICD CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 801889277 YIIDPYVFCCAHLI-INIZCTEOSA-N 443.498 4.051 10 20 IICD CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3cncc4ccccc34)cc2F)CC1 805179446 DHBILMDYAONHEI-IBGZPJMESA-N 434.559 4.011 10 20 IICD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)cc1 807678232 AKOGCDBNLQLWBD-VWLOTQADSA-N 444.579 4.100 10 20 IICD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 807914199 DIJJWQLELYHVJL-PZJWPPBQSA-N 447.501 4.182 10 20 IICD O=S1(=O)CCN(c2ccc(CN[C@H](c3ccccc3F)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 815579615 RCZGDPVIRMMVKQ-VRKOAZSQSA-N 442.600 4.328 10 20 IICD COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(C)c1 914851089 VPIHCEJVVLBORU-UHFFFAOYSA-N 432.523 4.008 10 20 IICD COc1ccc(-c2noc(CCCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)cc1 915067637 OPNAHFFGSMUHMP-UHFFFAOYSA-N 434.540 4.325 10 20 IICD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N2CCCC2)cc1 915083691 CELMRTIXHKQOKK-JRMGEIGVSA-N 437.628 4.260 10 20 IICD COc1cc(C)c([C@@H](C)NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC 917192547 SXVQJEFXPIOEMJ-MRXNPFEDSA-N 425.554 4.382 10 20 IICD CNC(=O)c1sc2[nH]c(Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)nc(=O)c2c1C 917259600 FNPQECYPLFGMHC-UHFFFAOYSA-N 440.956 4.304 10 20 IICD Cc1cc(-c2csc(N3CCC[C@H](C)C3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 917625617 RSFGQTOENYPDLM-AWEZNQCLSA-N 430.599 4.101 10 20 IICD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3CCc3ccccc3)cc2)C1 917832105 JHHDSNDBUZKLPA-DEOSSOPVSA-N 441.575 4.104 10 20 IICD O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@@H]1c1cccnc1 917966437 KZDPJSUAOAAEEQ-GFWHJHDHSA-N 443.619 4.488 10 20 IICD Cc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)sc1SCC(N)=O 918050440 FSSLQBMKLGUPPA-UHFFFAOYSA-N 434.974 4.342 10 20 IICD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(-c2cnco2)cc1 918082793 GPJOQZFSBAFSQU-UHFFFAOYSA-N 431.414 4.127 10 20 IICD COC(=O)Cc1csc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 919852860 WBUBXZUGYIJPQV-UHFFFAOYSA-N 448.342 4.281 10 20 IICD C[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)c1ccc(N2CCOCC2)cc1 920866063 VJQXFQRVZYGTBK-KRWDZBQOSA-N 436.533 4.462 10 20 IICD C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCOCC2)cc1 920872217 ITKBPWQIRQJXHF-QGZVFWFLSA-N 434.496 4.251 10 20 IICD COC(=O)N1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)CC1 921051284 DWMVXIHLOGJLNV-UHFFFAOYSA-N 442.899 4.011 10 20 IICD Cc1c(Cl)cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 921129841 WQTSYRJHHFFEDB-MRXNPFEDSA-N 437.323 4.154 10 20 IICD Cc1cc(-c2nnc(CCCN3C(=O)c4ccccc4C3=O)o2)c(C)n1-c1ccccc1 1341444088 ZCLITPLYRJQDTH-UHFFFAOYSA-N 426.476 4.373 10 20 IICD O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1)c1cc(O)nc(O)c1 1791535845 OPNNXYFQMUXSOV-LEWJYISDSA-N 443.503 4.044 10 20 IICD COc1ccc(N2CCN(Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)cc1 58592244 QRVYBZNLTPXSAR-UHFFFAOYSA-N 435.597 4.128 10 20 IICD CN(C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cn1 614698432 ILJKAMBYXPHLPN-UHFFFAOYSA-N 448.324 4.428 10 20 IICD O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnn(Cc2ccccc2Cl)c1 619521933 UGGHOYAIRZKORS-DHDCSXOGSA-N 433.855 4.147 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNCC3=Cc4cc(Cl)cc(Cl)c4OC3)cc2)C1 726606678 KDKOVZTUNVWBAJ-QGZVFWFLSA-N 446.378 4.261 10 20 IICD COc1ccc(N2CCC(NC(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2)cc1 726611447 QRTQWGCTSQUTSR-UHFFFAOYSA-N 447.583 4.090 10 20 IICD O=C1/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)SC(=S)N1c1cccnc1 728439727 NSPVXDXYIDOZRJ-APSNUPSMSA-N 425.516 4.340 10 20 IICD CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 729174302 CQQMOEVGNXLZEV-CLOONOSVSA-N 433.596 4.243 10 20 IICD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 730388373 IEVNIABOJGYQLW-UHFFFAOYSA-N 445.567 4.205 10 20 IICD CCOC(=O)c1c(NC(=O)Cn2ccc3occc3c2=O)sc(C)c1-c1ccccc1 731836891 MVGXSLBXKKABDD-UHFFFAOYSA-N 436.489 4.447 10 20 IICD Cc1c(C(=O)NCCCSc2nccs2)cnn1-c1ccc(Br)cc1 733884805 ZDHOLMQLAOWKFI-UHFFFAOYSA-N 437.388 4.312 10 20 IICD C[C@@H](c1ccccc1)N1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 734946808 OGOKELOQYOXBDG-RDPSFJRHSA-N 437.584 4.308 10 20 IICD CCn1c(SCC(=O)NCc2c(O)ccc3c2CCCC3)nnc1-c1cccs1 743716881 NRMDAFJLZPBFFN-UHFFFAOYSA-N 428.583 4.019 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(Nc2ccccn2)n1 743808102 QFBVKXWTKRYWKZ-UHFFFAOYSA-N 433.331 4.412 10 20 IICD C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2)C1 747010127 VCOPIADEHQOKGX-DYESRHJHSA-N 441.547 4.242 10 20 IICD Cc1cc(C(=O)CN2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 748832745 MRWWVWJQQZQMRM-NRFANRHFSA-N 448.510 4.148 10 20 IICD CN(C)c1ccc(CN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C2CC2)cc1 749015191 VIXPYDSFAIOXQM-UHFFFAOYSA-N 443.551 4.274 10 20 IICD CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Br)cc(Br)c1O 756664330 NNFGFKAJLOVURJ-SECBINFHSA-N 447.171 4.073 10 20 IICD CC(C)(c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1)C(F)(F)F 760233146 FEMLAGDWWBIBJS-UHFFFAOYSA-N 431.505 4.220 10 20 IICD Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 760830133 FHGMRIPBPPNYJB-UHFFFAOYSA-N 448.748 4.248 10 20 IICD O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(Br)cc1Cl 761034177 ZERZNOYKNZCQEB-UHFFFAOYSA-N 430.085 4.430 10 20 IICD COCCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(OC)c(OC)c1 763850634 PDPVUMITONKANK-UHFFFAOYSA-N 429.542 4.347 10 20 IICD Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)NCc1cccc(Br)c1O)CC3 765535197 IVSJCCRKOWAPSQ-AWEZNQCLSA-N 428.330 4.301 10 20 IICD CC(C)N1CCN(c2cccc(NC(=S)NCCCN(C)c3ccccc3)c2)CC1 767914409 LOOZDXGCJSLEIX-UHFFFAOYSA-N 425.646 4.030 10 20 IICD CCOc1c(Br)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 768207954 KXSBOMKTMOXLPP-UHFFFAOYSA-N 449.389 4.325 10 20 IICD O=C(N[C@@H]1CCCN(Cc2cccc(Br)c2O)C1)c1cc2ccccc2o1 770312832 PTFNEYLCDNNKJL-MRXNPFEDSA-N 429.314 4.295 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc1 770844534 QTYRAOACPQJJFI-HYBUGGRVSA-N 432.524 4.382 10 20 IICD CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 772030677 BUHXKBQWBDLIAU-UHFFFAOYSA-N 444.539 4.330 10 20 IICD Cc1ccccc1COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773846294 JJRVBHDOLVXJHK-IBGZPJMESA-N 431.536 4.456 10 20 IICD COc1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)ccc1OCC(=O)N(C)C 774150200 KILAECTWFQPYMK-GFCCVEGCSA-N 427.328 4.025 10 20 IICD COC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCCC1 774779336 DCLBCSDVFVVYER-DTQAZKPQSA-N 438.640 4.195 10 20 IICD COc1ccc([C@@H](CN[C@H](C)c2cc(Br)cc(C)c2O)N2CCOCC2)cc1 779006363 NXINVZMGGFLTHN-IIBYNOLFSA-N 449.389 4.196 10 20 IICD Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)N[C@H](C)C[S@](C)=O 784516318 IRMOPRWHQRHHAF-ZILQAFKDSA-N 441.519 4.248 10 20 IICD CCN(CC)c1ccc(CNC(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1 786711452 YMJKTEGQYIPSBW-UHFFFAOYSA-N 426.952 4.075 10 20 IICD O=C(NCc1nc(-c2ccccc2F)cs1)NCc1cccc(Br)c1O 787429981 DDPDDUWJEVOLCN-UHFFFAOYSA-N 436.306 4.417 10 20 IICD COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1OC 790477686 JICZCPPRQLHETL-UHFFFAOYSA-N 428.919 4.491 10 20 IICD CN1CCN(c2ccc(CNc3nccn3Cc3ccc(Br)cc3)cc2)CC1 795806214 UZDOJCAHKPNKEG-UHFFFAOYSA-N 440.389 4.058 10 20 IICD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl 798941095 WRTULUVOZJCMKW-GAJHUEQPSA-N 443.975 4.268 10 20 IICD O=C(N(Cc1ccco1)Cc1ccccc1O)C1(c2cncc(Br)c2)CC1 798976189 FEMFRSYIDYMYTE-UHFFFAOYSA-N 427.298 4.403 10 20 IICD C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](Cc4cnn(C)c4)C3)cc2Cl)C1 799995769 VPLQZUIFXPHPGA-IEBWSBKVSA-N 429.996 4.084 10 20 IICD CCS(=O)(=O)c1cccc(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800050405 VUOWFLIEFDALST-KRWDZBQOSA-N 449.016 4.229 10 20 IICD Cc1nc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2)n[nH]1 800718513 AHOIDGDOTCHDDS-CRAIPNDOSA-N 430.984 4.092 10 20 IICD Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(-c2cnn(C)c2)c1 801647126 CQAZGAVLLRSPOB-VXLYETTFSA-N 435.530 4.500 10 20 IICD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(-c4ccccc4)c3)cc2)C1 806758126 FRCLINAOOXVTTM-JOCHJYFZSA-N 428.536 4.377 10 20 IICD COc1c([N+](=O)[O-])cc(N2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1Br 808085001 SUPPYOAUUAHMKE-UHFFFAOYSA-N 428.626 4.448 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1 808295342 UXCHBAZSRKKWKF-UHFFFAOYSA-N 430.570 4.008 10 20 IICD CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 808528042 VIKPMTUCMAJYOP-UHFFFAOYSA-N 445.566 4.020 10 20 IICD Cc1nc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1-c1ccccc1 810275849 VNWUQJTZBBTWKD-OAQYLSRUSA-N 443.551 4.080 10 20 IICD Cc1cc(C(=O)COC(=O)c2nnc3ccccc3n2)c(C)n1-c1ccc(F)c(Cl)c1 811313282 ZQOFDJNHJKZHPV-UHFFFAOYSA-N 438.846 4.265 10 20 IICD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CC[C@@H]3CCCC[C@H]3C1)c2[N+](=O)[O-] 823716843 SUFNVLJDKGAJAF-HRCADAONSA-N 432.476 4.459 10 20 IICD CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 916437441 JZHSFUBFNOSFEJ-HSZRJFAPSA-N 445.007 4.011 10 20 IICD Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c(C)n1-c1cccc(Br)c1 918074029 VXGYRWNANOVHSY-LJQANCHMSA-N 427.346 4.398 10 20 IICD Cc1cc(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 918688259 BZWSOIZVPGWKSA-HSZRJFAPSA-N 429.992 4.003 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccn(Cc3ccccc3)c2=O)cc1 920444678 CCXCNCQKPOKGEV-UHFFFAOYSA-N 441.531 4.398 10 20 IICD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cocn4)C3)CC2)cc1 1808754616 JKCXMBBZCYPKFS-UHFFFAOYSA-N 446.551 4.241 10 20 IICD COc1ccc(N2CCN(CCCNC(=O)CCc3ccc(-c4ccccc4)o3)CC2)cc1 32764134 CQHBAWYUSCGMHO-UHFFFAOYSA-N 447.579 4.216 10 20 IICD CCOc1ccccc1NC(=O)CSc1ncc(-c2ccc3c(c2)OCCO3)n1CC 45383238 VIJVBFODTJTNFF-UHFFFAOYSA-N 439.537 4.471 10 20 IICD COc1cccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1O 237412885 SQSDZUFEFFYKIU-QHCPKHFHSA-N 425.550 4.300 10 20 IICD CN1CCCc2cc(CNC(=O)NCc3cccc(Cn4cnc5ccccc54)c3)ccc21 726249051 CTSVXXMUKWLUFQ-UHFFFAOYSA-N 439.563 4.466 10 20 IICD COc1cccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1OC(F)F 727176670 NVWYPCRYOFEMGC-ZROIWOOFSA-N 430.542 4.086 10 20 IICD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1cccc(Br)c1 731221360 KPRWZRVTBZDADX-UHFFFAOYSA-N 446.389 4.060 10 20 IICD Cc1sc2nc(CCC(=O)N(Cc3ccco3)Cc3ccccc3O)nc(O)c2c1C 735926786 DYOMOVGBCCGJHD-UHFFFAOYSA-N 437.521 4.474 10 20 IICD CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc21 737383111 WTFLNMYERIQKSB-UHFFFAOYSA-N 427.551 4.218 10 20 IICD O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 741100031 QKJQGOSROHPKHH-UHFFFAOYSA-N 445.494 4.036 10 20 IICD CN(C)c1ccc([C@H](CNC(=O)Cn2ccc3ccccc32)NC(=O)OC(C)(C)C)cc1 742754549 PTKQCRGNTZLHTL-NRFANRHFSA-N 436.556 4.090 10 20 IICD Cc1sc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)nc1-c1ccc(F)cc1 743045885 CZPMITBCQGKUCW-UHFFFAOYSA-N 432.477 4.383 10 20 IICD CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)OC)c(C)c3)n2)cc1 743046173 DEHOLMGHXYKXQU-UHFFFAOYSA-N 432.523 4.105 10 20 IICD COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@@H]2CCOc3ccccc32)C1=O 743284104 JIMZKAXGAJVPJW-UWOKGBPVSA-N 443.546 4.437 10 20 IICD CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 745783735 XSCHTTLWTYQDOG-LJQANCHMSA-N 434.378 4.298 10 20 IICD O=C(N[C@H]1CCCN(c2ccccc2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745825491 JLRBBVKWJLLFNN-RBUKOAKNSA-N 444.526 4.225 10 20 IICD C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]3c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 748825803 ZDRICPWWMXKSKP-HYFFOGBASA-N 445.966 4.156 10 20 IICD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cccc(Br)c2)cc1 750874290 IHHOUSFMKMNPAJ-OAQYLSRUSA-N 431.374 4.265 10 20 IICD Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 752003752 CGXWLHQTLSGPHV-ULQDDVLXSA-N 444.507 4.216 10 20 IICD CCOc1ccccc1NC(=O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 759578776 JVBQVWFXHZPDFZ-DQRYEYLNSA-N 433.460 4.433 10 20 IICD CCc1ccc([C@@H](NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c2cccs2)cc1 759593330 BQIIDTCVIZHMOL-ZXXUSRDYSA-N 437.517 4.184 10 20 IICD C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(Br)c(F)cc1O 760028807 MFQXDUJLCXKWKA-SECBINFHSA-N 436.730 4.202 10 20 IICD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCC(F)(F)CC1 761899983 DTNHKSODTCFAIP-KAMYIIQDSA-N 430.567 4.424 10 20 IICD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3c([N+](=O)[O-])ccc(C)c3C)n2)cc1 764527316 PJWKYQLCHSTMHK-UHFFFAOYSA-N 446.510 4.094 10 20 IICD Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1-c1cccc(Cl)c1 765286296 JYMXZPANPAAIRM-OAHLLOKOSA-N 443.954 4.180 10 20 IICD O=C(NCc1cccc(Br)c1O)c1ccc(C(=O)c2cccc(O)c2)cc1 765729197 YZAWGVIHCAMNPW-UHFFFAOYSA-N 426.266 4.021 10 20 IICD Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(O)c(O)c2)cc1 767774129 PUDPNEQFSXHXNK-UHFFFAOYSA-N 436.533 4.110 10 20 IICD COc1ccc(N2CCCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 767893018 YLXLQDAXVYQQNH-UHFFFAOYSA-N 439.556 4.176 10 20 IICD CCOc1cc(F)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769710436 VDCPAWIHNAYVHR-UHFFFAOYSA-N 436.486 4.045 10 20 IICD CC(C)COC(=O)Nc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 771936692 BGINBRBHENGCIV-UHFFFAOYSA-N 431.876 4.219 10 20 IICD C[C@H](NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(N2CCOCC2)cc1 775258307 XCHVBSDKXYCADW-AFMDSPMNSA-N 439.575 4.361 10 20 IICD CCN1CCN(c2ccc(CNCc3cc(-c4ccncc4)ccc3OC)cc2F)CC1 775304813 JCNRIUWGBQJXLN-UHFFFAOYSA-N 434.559 4.328 10 20 IICD COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(I)c1OC 775364518 RHHHOFHPJUISCW-ZDUSSCGKSA-N 440.325 4.225 10 20 IICD C[C@@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(N2CCOCC2)c(F)c1 776871973 OMZQCJYVDLZMCD-HXUWFJFHSA-N 438.591 4.367 10 20 IICD Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1ccccc1Cl 777708622 JVQBQQKDNNPIHD-UHFFFAOYSA-N 443.910 4.132 10 20 IICD COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(OC)c(Cl)c1 779180334 KIBVSECWGSKQKC-NRFANRHFSA-N 447.919 4.251 10 20 IICD C[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(N2CCOCC2)cc1 782495804 HASVSRBOSJCRSX-HNNXBMFYSA-N 432.355 4.262 10 20 IICD Cc1ccc(Br)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 783316048 HHAPDRAVJWJHBH-UHFFFAOYSA-N 432.362 4.199 10 20 IICD O=C(COC(=O)CN1CCc2ccccc2C1=O)Nc1ccc(N=Nc2ccccc2)cc1 789276832 CMSWRCNVSCAEGO-UHFFFAOYSA-N 442.475 4.282 10 20 IICD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2nc(C(C)(C)C)cs2)cc1 789389305 RGBJBMSLTQGSFQ-UHFFFAOYSA-N 440.569 4.267 10 20 IICD Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 791910608 LYUWCORYWLGHMV-SFHVURJKSA-N 426.517 4.007 10 20 IICD O=C(O)c1cccc(N2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)c1 794870834 ZDRJDOJAXLBNCT-BOPFTXTBSA-N 425.466 4.115 10 20 IICD CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)s4)n3)ccc2NC1=O 799186964 LGFRRAMLZRLDEF-UHFFFAOYSA-N 440.959 4.303 10 20 IICD CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(C)c1 802614016 QYPKHOQEQMXDJR-UHFFFAOYSA-N 447.587 4.149 10 20 IICD COCc1ncc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)s1 803901868 OEVQWPZNFUSILP-UHFFFAOYSA-N 430.551 4.459 10 20 IICD O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(COCc2ccco2)c1 807513931 YWXNDSUEIDJKIE-UHFFFAOYSA-N 449.290 4.264 10 20 IICD C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cc(Br)cc(Br)c1O 808729505 KWBZPCYVOXZNPL-PIAMENMFSA-N 443.135 4.062 10 20 IICD CC[C@H](NC[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1cc(Br)ccc1O 810255358 JWBSIBFRJYZOTD-LAUBAEHRSA-N 438.362 4.206 10 20 IICD C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 812719543 UQLLSZYAOIGDNZ-IBGZPJMESA-N 439.625 4.249 10 20 IICD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 914793240 GCCCEFJWFUTFHL-UHFFFAOYSA-N 441.437 4.429 10 20 IICD O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(OCc2cn3ccccc3n2)c1 915082722 XWANIPMPNDQLKI-UHFFFAOYSA-N 426.520 4.444 10 20 IICD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccc(N2CCCC2)cc1 915083699 CUCPVZLPZCLPQD-UHFFFAOYSA-N 444.560 4.042 10 20 IICD COc1ccccc1OCC(=O)Nc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 916847830 RGSCVJYFODRPNY-UHFFFAOYSA-N 447.535 4.161 10 20 IICD O=C(CN1CCCc2cc(OC(F)F)ccc21)Nc1cc2c(cc1Cl)OCCCO2 919803073 QAQCVOSSVMIRKH-UHFFFAOYSA-N 438.858 4.494 10 20 IICD CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccsc1 920921445 GCYAPGYLPDEBTA-PGRDOPGGSA-N 430.618 4.028 10 20 IICD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1cccc(Cl)c1 1337619913 OJEAGKXOQPXSCZ-NRFANRHFSA-N 431.939 4.487 10 20 IICD